Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T63159 | Target Info | |||
| Target Name | Plasmodium M1-family aminopeptidase (Malaria MFA) | ||||
| Synonyms | Pfa-M1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | Malaria MFA | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Bestatin | Ligand Info | |||||
| Structure Description | Structure of the M1 Alanylaminopeptidase from malaria complexed with bestatin | PDB:3EBH | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [1] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
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GLN317
3.826
GLU319
2.711
ALA320
4.261
VAL459
3.202
GLY460
2.546
ALA461
3.032
MET462
3.777
GLU463
2.792
ARG489
4.081
THR492
4.337
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| Ligand Name: Arginine | Ligand Info | |||||
| Structure Description | A naturally variable residue in the S1 subsite of M1-family aminopeptidases modulates catalytic properties and promotes functional specialization | PDB:4J3B | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [2] |
| PDB Sequence |
KIHYRKDYKP
206 SGFIINNVTL216 NINIHDNETI226 VRSVLDMDIS236 KHNVGEDLVF246 DGVGLKINEI 256 SINNKKLVEG266 EEYTYDNEFL276 TIFSKFVPKS286 KFAFSSEVII296 HPETNYALTG 306 LYKSKNIIVS316 QCEATGFRRI326 TFFIDRPDMM336 AKYDVTVTAD346 KEKYPVLLSN 356 GDKVNEFEIP366 GGRHGARFND376 PHLKPCYLFA386 VVAGDLKHLS396 ATYITKYTKK 406 KVELYVFSEE416 KYVSKLQWAL426 ECLKKSMAFD436 EDYFGLEYDL446 SRLNLVAVSD 456 FNPGAMENKG466 LNIFNANSLL476 ASKKNSIDFS486 YARILTVVGH496 EYFHNYTGNR 506 VTLRDWFQLT516 LKEGLTVHRE526 NLFSEEMTKT536 VTTRLSHVDL546 LRSVQFLEDS 556 SPLSHPIRPE566 SYVSMENFYT576 TTVYDKGSEV586 MRMYLTILGE596 EYYKKGFDIY 606 IKKNDGNTAT616 CEDFNYAMEQ626 AYKMKKADNS636 ANLNQYLLWF646 SQSGTPHVSF 656 KYNYDAEKKQ666 YSIHVNQYTK676 PDENQKEKKP686 LFIPISVGLI696 NPENGKEMIS 706 QTTLELTKES716 DTFVFNNIAV726 KPIPSLFRGF736 SAPVYIEDNL746 TDEERILLLK 756 YDSDAFVRYN766 SCTNIYMKQI776 LMNYNEFLKA786 KNEKLESFNL796 TPVNAQFIDA 806 IKYLLEDPHA816 DAGFKSYIVS826 LPQDRYIINF836 VSNLDTDVLA846 DTKEYIYKQI 856 GDKLNDVYYK866 MFKSLEAKAD876 DLTYFNDESH886 VDFDQMNMRT896 LRNTLLSLLS 906 KAQYPNILNE916 IIEHSKSPYP926 SNWLTSLSVS936 AYFDKYFELY946 DKTYKLSKDD 956 ELLLQEWLKT966 VSRSDRKDIY976 EILKKLENEV986 LKDSKNPNDI996 RAVYLPFTNN 1006 LRRFHDISGK1016 GYKLIAEVIT1026 KTDKFNPMVA1036 TQLCEPFKLW1046 NKLDTKRQEL 1056 MLNEMNTMLQ1066 EPNISNNLKE1076 YLLRLTNK
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| Ligand Name: Actinonin | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with actinonin | PDB:5Y1X | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [3] |
| PDB Sequence |
EPKIHYRKDY
204 KPSGFIINNV214 TLNINIHDNE224 TIVRSVLDMD234 ISKHNVGEDL244 VFDGVGLKIN 254 EISINNKKLV264 EGEEYTYDNE274 FLTIFSKFVP284 KSKFAFSSEV294 IIHPETNYAL 304 TGLYKSKNII314 VSQCEATGFR324 RITFFIDRPD334 MMAKYDVTVT344 ADKEKYPVLL 354 SNGDKVNEFE364 IPGGRHGARF374 NDPHLKPCYL384 FAVVAGDLKH394 LSATYITKYT 404 KKKVELYVFS414 EEKYVSKLQW424 ALECLKKSMA434 FDEDYFGLEY444 DLSRLNLVAV 454 SDFNVGAMEN464 KGLNIFNANS474 LLASKKNSID484 FSYARILTVV494 GHEYFHNYTG 504 NRVTLRDWFQ514 LTLKEGLTVH524 RENLFSEEMT534 KTVTTRLSHV544 DLLRSVQFLE 554 DSSPLSHPIR564 PESYVSMENF574 YTTTVYDKGS584 EVMRMYLTIL594 GEEYYKKGFD 604 IYIKKNDGNT614 ATCEDFNYAM624 EQAYKMKKAD634 NSANLNQYLL644 WFSQSGTPHV 654 SFKYNYDAEK664 KQYSIHVNQY674 TKPDENQKEK684 KPLFIPISVG694 LINPENGKEM 704 ISQTTLELTK714 ESDTFVFNNI724 AVKPIPSLFR734 GFSAPVYIED744 NLTDEERILL 754 LKYDSDAFVR764 YNSCTNIYMK774 QILMNYNEFL784 KAKNEKLESF794 NLTPVNAQFI 804 DAIKYLLEDP814 HADAGFKSYI824 VSLPQDRYII834 NFVSNLDTDV844 LADTKEYIYK 854 QIGDKLNDVY864 YKMFKSLEAK874 ADDLTYFNDE884 SHVDFDQMNM894 RTLRNTLLSL 904 LSKAQYPNIL914 NEIIEHSKSP924 YPSNWLTSLS934 VSAYFDKYFE944 LYDKTYKLSK 954 DDELLLQEWL964 KTVSRSDRKD974 IYEILKKLEN984 EVLKDSKNPN994 DIRAVYLPFT 1004 NNLRRFHDIS1014 GKGYKLIAEV1024 ITKTDKFNPM1034 VATQLCEPFK1044 LWNKLDTKRQ 1054 ELMLNEMNTM1064 LQEPNISNNL1074 KEYLLRLTNK1084 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BB2 or .BB22 or .BB23 or :3BB2;style chemicals stick;color identity;select .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:492 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:523 or .A:575 or .A:580 or .A:997 or .A:1038; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-N-oxidanyl-pentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,6-diethylphenyl)ureido)- N-hydroxy-4-methylpentanamide | PDB:5Y1V | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [4] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINNVT215 LNINIHDNET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPHLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHNYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDN745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFN795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPNISNNLK1075 EYLLRLTNKL1085
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8LO or .8LO2 or .8LO3 or :38LO;style chemicals stick;color identity;select .A:317 or .A:319 or .A:457 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:496 or .A:497 or .A:500 or .A:519 or .A:523 or .A:526 or .A:575 or .A:576 or .A:577 or .A:580; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3,4-dimethylbenzyl)ureido)-N-hydroxy-4-methylpentanamide | PDB:5Y1S | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [5] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINNVT215 LNINIHDNET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPHLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHNYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDN745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFN795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPNISNNLK1075 EYLLRLTNKL1085
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E8R or .E8R2 or .E8R3 or :3E8R;style chemicals stick;color identity;select .A:317 or .A:319 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:471 or .A:489 or .A:496 or .A:497 or .A:500 or .A:519 or .A:575 or .A:580 or .A:997 or .A:1038; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2S)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3,4-dimethylbenzyl)ureido)-N-hydroxy-4-methylpentanamide | PDB:5Y1S | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [5] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINNVT215 LNINIHDNET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPHLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHNYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDN745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFN795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPNISNNLK1075 EYLLRLTNKL1085
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E8F or .E8F2 or .E8F3 or :3E8F;style chemicals stick;color identity;select .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:526 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R)-4-methyl-2-[(2-methylphenyl)carbamoylamino]-N-oxidanyl-pentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-N-hydroxy-4-methyl-2-(3-( o-tolyl)ureido)pentanamide | PDB:5Y1R | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [6] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINNVT215 LNINIHDNET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPHLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHNYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDN745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFN795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPNISNNLK1075 EYLLRLTNKL1085
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8KR or .8KR2 or .8KR3 or :38KR;style chemicals stick;color identity;select .A:317 or .A:319 or .A:457 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:496 or .A:497 or .A:500 or .A:519 or .A:575 or .A:576 or .A:577 or .A:580; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,4-difluorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | PDB:5Y1H | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [7] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINNVT215 LNINIHDNET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPHLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHNYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDN745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFN795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPNISNNLK1075 EYLLRLTNKL1085
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E8C or .E8C2 or .E8C3 or :3E8C;style chemicals stick;color identity;select .A:317 or .A:319 or .A:457 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:496 or .A:497 or .A:500 or .A:519 or .A:575 or .A:580 or .A:997 or .A:1038; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (2R)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-N-oxidanyl-pentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-N-hydroxy-4-methyl-2-(3-(3-methylbenzyl)ureido)pentanamide | PDB:5Y3I | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [8] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINNVT215 LNINIHDNET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPHLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHNYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDN745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFN795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPNISNNLK1075 EYLLRLTNKL1085
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8N3 or .8N32 or .8N33 or :38N3;style chemicals stick;color identity;select .A:317 or .A:319 or .A:457 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:496 or .A:497 or .A:500 or .A:519 or .A:575 or .A:576 or .A:577 or .A:580 or .A:581; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2-chlorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | PDB:5Y1K | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [9] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINNVT215 LNINIHDNET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPHLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHNYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDN745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFN795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPNISNNLK1075 EYLLRLTNKL1085
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B1B or .B1B2 or .B1B3 or :3B1B;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:457 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:496 or .A:497 or .A:500 or .A:519 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-N-oxidanyl-pentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)- N-hydroxy-4-methylpentanamide. | PDB:5Y19 | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [10] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINNVT215 LNINIHDNET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPHLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHNYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDN745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFN795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPNISNNLK1075 EYLLRLTNKL1085
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8KO or .8KO2 or .8KO3 or :38KO;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:492 or .A:493 or .A:496 or .A:497 or .A:500 or .A:518 or .A:519 or .A:523 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN317
3.817
GLU319
2.777
ALA320
4.257
VAL459
3.448
GLY460
2.701
ALA461
3.127
MET462
3.830
GLU463
2.698
ARG489
3.557
THR492
3.680
|
|||||
| Ligand Name: (2S)-4-methyl-N-[(1R)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-N-hydroxy-4-methylpentanamide | PDB:5XM7 | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [9] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINNVT215 LNINIHDNET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPHLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHNYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDN745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFN795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPNISNNLK1075 EYLLRLTNKL1085
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .89X or .89X2 or .89X3 or :389X;style chemicals stick;color identity;select .A:317 or .A:319 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:492 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:550 or .A:575 or .A:576 or .A:577 or .A:580 or .A:581 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN317
4.125
GLU319
3.664
VAL459
3.630
GLY460
2.748
ALA461
2.867
MET462
4.044
GLU463
2.789
ARG489
4.032
THR492
4.041
VAL493
4.136
HIS496
3.218
|
|||||
| Ligand Name: (2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,3-dimethylbenzyl)ureido)-N-hydroxy-4-methylpentanamide | PDB:5Y1T | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [9] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINNVT215 LNINIHDNET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPHLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHNYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDN745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFN795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPNISNNLK1075 EYLLRLTNKL1085
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E8G or .E8G2 or .E8G3 or :3E8G;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:496 or .A:497 or .A:500 or .A:519 or .A:572 or .A:575 or .A:580 or .A:1034 or .A:1038; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3-chlorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | PDB:5Y1Q | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [9] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINNVT215 LNINIHDNET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPHLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHNYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDN745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFN795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPNISNNLK1075 EYLLRLTNKL1085
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8L0 or .8L02 or .8L03 or :38L0;style chemicals stick;color identity;select .A:317 or .A:319 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:471 or .A:489 or .A:496 or .A:497 or .A:500 or .A:519 or .A:575 or .A:580 or .A:997 or .A:1038; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Amino-N-{(1r)-2-(Hydroxyamino)-2-Oxo-1-[4-(1h-Pyrazol-1-Yl)phenyl]ethyl}benzamide | Ligand Info | |||||
| Structure Description | Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor | PDB:4R5X | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [11] |
| PDB Sequence |
KIHYRKDYKP
206 SGFIINQVTL216 NINIHDQETI226 VRSVLDMDIS236 KHNVGEDLVF246 DGVGLKINEI 256 SINNKKLVEG266 EEYTYDNEFL276 TIFSKFVPKS286 KFAFSSEVII296 HPETNYALTG 306 LYKSKNIIVS316 QCEATGFRRI326 TFFIDRPDMM336 AKYDVTVTAD346 KEKYPVLLSN 356 GDKVNEFEIP366 GGRHGARFND376 PPLKPCYLFA386 VVAGDLKHLS396 ATYITKYTKK 406 KVELYVFSEE416 KYVSKLQWAL426 ECLKKSMAFD436 EDYFGLEYDL446 SRLNLVAVSD 456 FNVGAMENKG466 LNIFNANSLL476 ASKKNSIDFS486 YARILTVVGH496 EYFHQYTGNR 506 VTLRDWFQLT516 LKEGLTVHRE526 NLFSEEMTKT536 VTTRLSHVDL546 LRSVQFLEDS 556 SPLSHPIRPE566 SYVSMENFYT576 TTVYDKGSEV586 MRMYLTILGE596 EYYKKGFDIY 606 IKKNDGNTAT616 CEDFNYAMEQ626 AYKMKKADNS636 ANLNQYLLWF646 SQSGTPHVSF 656 KYNYDAEKKQ666 YSIHVNQYTK676 PDENQKEKKP686 LFIPISVGLI696 NPENGKEMIS 706 QTTLELTKES716 DTFVFNNIAV726 KPIPSLFRGF736 SAPVYIEDQL746 TDEERILLLK 756 YDSDAFVRYN766 SCTNIYMKQI776 LMNYNEFLKA786 KNEKLESFQL796 TPVNAQFIDA 806 IKYLLEDPHA816 DAGFKSYIVS826 LPQDRYIINF836 VSNLDTDVLA846 DTKEYIYKQI 856 GDKLNDVYYK866 MFKSLEAKAD876 DLTYFNDESH886 VDFDQMNMRT896 LRNTLLSLLS 906 KAQYPNILNE916 IIEHSKSPYP926 SNWLTSLSVS936 AYFDKYFELY946 DKTYKLSKDD 956 ELLLQEWLKT966 VSRSDRKDIY976 EILKKLENEV986 LKDSKNPNDI996 RAVYLPFTNN 1006 LRRFHDISGK1016 GYKLIAEVIT1026 KTDKFNPMVA1036 TQLCEPFKLW1046 NKLDTKRQEL 1056 MLNEMNTMLQ1066 EPQISNNLKE1076 YLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R5X or .R5X2 or .R5X3 or :3R5X;style chemicals stick;color identity;select .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:496 or .A:497 or .A:500 or .A:519 or .A:526 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [(1r)-1-Amino-4-Carbamimidamidobutyl]phosphonic Acid | Ligand Info | |||||
| Structure Description | Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum | PDB:4K5M | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [12] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1OV or .1OV2 or .1OV3 or :31OV;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:496 or .A:497 or .A:500 or .A:518 or .A:519 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [(1r)-1-Amino-5-Carbamimidamidopentyl]phosphonic Acid | Ligand Info | |||||
| Structure Description | Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum | PDB:4K5L | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | Yes | [12] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .19N or .19N2 or .19N3 or :319N;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:496 or .A:497 or .A:500 or .A:518 or .A:519 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Tert-Butyl {(1s)-2-(Hydroxyamino)-2-Oxo-1-[4-(1h-Pyrazol-1-Yl)phenyl]ethyl}carbamate | Ligand Info | |||||
| Structure Description | Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor | PDB:4R5T | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [11] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNTATCE618 DFNYAMEQAY628 KMKKADNSAN638 LNQYLLWFSQ648 SGTPHVSFKY 658 NYDAEKKQYS668 IHVNQYTKPD678 ENQKEKKPLF688 IPISVGLINP698 ENGKEMISQT 708 TLELTKESDT718 FVFNNIAVKP728 IPSLFRGFSA738 PVYIEDQLTD748 EERILLLKYD 758 SDAFVRYNSC768 TNIYMKQILM778 NYNEFLKAKN788 EKLESFQLTP798 VNAQFIDAIK 808 YLLEDPHADA818 GFKSYIVSLP828 QDRYIINFVS838 NLDTDVLADT848 KEYIYKQIGD 858 KLNDVYYKMF868 KSLEAKADDL878 TYFNDESHVD888 FDQMNMRTLR898 NTLLSLLSKA 908 QYPNILNEII918 EHSKSPYPSN928 WLTSLSVSAY938 FDKYFELYDK948 TYKLSKDDEL 958 LLQEWLKTVS968 RSDRKDIYEI978 LKKLENEVLK988 DSKNPNDIRA998 VYLPFTNNLR 1008 RFHDISGKGY1018 KLIAEVITKT1028 DKFNPMVATQ1038 LCEPFKLWNK1048 LDTKRQELML 1058 NEMNTMLQEP1068 QISNNLKEYL1078 LRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R5T or .R5T2 or .R5T3 or :3R5T;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:523 or .A:526 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN317
4.661
GLU319
3.121
ALA320
3.639
VAL459
3.613
GLY460
3.098
ALA461
3.096
MET462
4.338
GLU463
3.236
ARG489
3.649
VAL493
3.920
HIS496
3.447
|
|||||
| Ligand Name: (2S)-2-[[(2S)-2-[[2-[2-[2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-phenylmethoxyphenyl)butanoyl]amino]propanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-(4-benzoylphenyl)propanoyl]amino]-6-(hex-5-ynoylamino)hexanamide | Ligand Info | |||||
| Structure Description | A bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases | PDB:3T8V | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [13] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMANFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BTJ or .BTJ2 or .BTJ3 or :3BTJ;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:518 or .A:519 or .A:572 or .A:573 or .A:575 or .A:576 or .A:580 or .A:1034 or .A:1037 or .A:1038 or .A:1077; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN317
3.231
GLU319
3.038
ALA320
4.289
ASN458
3.802
VAL459
3.455
GLY460
2.690
ALA461
3.154
MET462
3.455
GLU463
2.987
ARG489
3.610
VAL493
4.158
HIS496
3.455
GLU497
2.534
|
|||||
| Ligand Name: [(R)-Amino(4-Carbamimidoylphenyl)methyl]phosphonic Acid | Ligand Info | |||||
| Structure Description | Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum | PDB:4K5P | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [12] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1OS or .1OS2 or .1OS3 or :31OS;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:461 or .A:462 or .A:463 or .A:496 or .A:497 or .A:500 or .A:518 or .A:519 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: {(R)-Amino[4-(1h-Pyrazol-1-Yl)phenyl]methyl}phosphonic Acid | Ligand Info | |||||
| Structure Description | Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum | PDB:4K5O | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [12] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1OT or .1OT2 or .1OT3 or :31OT;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:496 or .A:497 or .A:500 or .A:518 or .A:519 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [(R)-Amino(4-Carbamimidamidophenyl)methyl]phosphonic Acid | Ligand Info | |||||
| Structure Description | Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum | PDB:4K5N | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | Yes | [12] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1OU or .1OU2 or .1OU3 or :31OU;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:461 or .A:462 or .A:463 or .A:496 or .A:497 or .A:500 or .A:518 or .A:519 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{(1r)-2-(Hydroxyamino)-2-Oxo-1-[4-(1h-Pyrazol-1-Yl)phenyl]ethyl}-2,2-Dimethylpropanamide | Ligand Info | |||||
| Structure Description | Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor | PDB:4R5V | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [11] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R5V or .R5V2 or .R5V3 or :3R5V;style chemicals stick;color identity;select .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:526 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(2s,3r)-3-Amino-2-Hydroxy-4-(4-Methoxyphenyl)butanoyl]-L-Leucine | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PfA-M1 bound to bestatin derivative 15 | PDB:3Q43 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [14] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D66 or .D662 or .D663 or :3D66;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:492 or .A:493 or .A:496 or .A:497 or .A:500 or .A:518 or .A:519 or .A:523 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN317
3.588
GLU319
2.814
ALA320
4.397
VAL459
3.307
GLY460
2.590
ALA461
3.069
MET462
3.853
GLU463
2.824
ARG489
3.322
THR492
3.542
VAL493
3.850
|
|||||
| Ligand Name: N-{(2s,3r)-3-Amino-4-[4-(Benzyloxy)phenyl]-2-Hydroxybutanoyl}-L-Leucine | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PfA-M1 bound to Bestatin derivative 16 | PDB:3Q44 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [14] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D50 or .D502 or .D503 or :3D50;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:492 or .A:493 or .A:496 or .A:497 or .A:500 or .A:518 or .A:519 or .A:523 or .A:570 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034 or .A:1073; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN317
3.749
GLU319
2.766
ALA320
4.126
VAL459
3.296
GLY460
2.670
ALA461
3.063
MET462
3.847
GLU463
2.674
ARG489
3.537
THR492
3.564
VAL493
3.932
HIS496
3.120
|
|||||
| Ligand Name: Tert-Butyl [(1s)-1-(4-Bromophenyl)-2-(Hydroxyamino)-2-Oxoethyl]carbamate | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b | PDB:4ZW3 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [15] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4S9 or .4S92 or .4S93 or :34S9;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:523 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Tert-Butyl [(1s)-1-(Biphenyl-4-Yl)-2-(Hydroxyamino)-2-Oxoethyl]carbamate | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f | PDB:4ZW5 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [15] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4SA or .4SA2 or .4SA3 or :34SA;style chemicals stick;color identity;select .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:523 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR305
4.218
GLN317
3.546
GLU319
3.065
ALA320
3.660
ASN458
4.740
VAL459
3.527
GLY460
3.018
ALA461
2.889
MET462
4.120
GLU463
2.940
ARG489
3.859
|
|||||
| Ligand Name: N-[(1r)-2-(Hydroxyamino)-2-Oxo-1-(3',4',5'-Trifluorobiphenyl-4-Yl)ethyl]-2,2-Dimethylpropanamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o | PDB:4ZX4 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [15] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4TL or .4TL2 or .4TL3 or :34TL;style chemicals stick;color identity;select .A:304 or .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU304
4.302
THR305
3.624
GLN317
3.401
GLU319
3.017
ALA320
3.476
ASN458
3.588
VAL459
3.478
GLY460
2.774
ALA461
2.853
MET462
4.184
GLU463
2.960
|
|||||
| Ligand Name: Tert-Butyl {(1s)-2-(Hydroxyamino)-1-[4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl]-2-Oxoethyl}carbamate | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q | PDB:4ZW6 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [15] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4SY or .4SY2 or .4SY3 or :34SY;style chemicals stick;color identity;select .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:492 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:523 or .A:572 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR305
3.531
GLN317
3.741
GLU319
3.016
ALA320
3.710
ASN458
4.586
VAL459
3.549
GLY460
3.027
ALA461
2.794
MET462
4.335
GLU463
2.987
ARG489
3.624
|
|||||
| Ligand Name: N-{(1r)-2-(Hydroxyamino)-2-Oxo-1-[4-(Thiophen-3-Yl)phenyl]ethyl}-2,2-Dimethylpropanamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q | PDB:4ZX5 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [15] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4TM or .4TM2 or .4TM3 or :34TM;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Tert-Butyl [(1s)-2-(Hydroxyamino)-2-Oxo-1-(3',4',5'-Trifluorobiphenyl-4-Yl)ethyl]carbamate | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9m | PDB:4ZW7 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [15] |
| PDB Sequence |
KIHYRKDYKP
206 SGFIINQVTL216 NINIHDQETI226 VRSVLDMDIS236 KHNVGEDLVF246 DGVGLKINEI 256 SINNKKLVEG266 EEYTYDNEFL276 TIFSKFVPKS286 KFAFSSEVII296 HPETNYALTG 306 LYKSKNIIVS316 QCEATGFRRI326 TFFIDRPDMM336 AKYDVTVTAD346 KEKYPVLLSN 356 GDKVNEFEIP366 GGRHGARFND376 PPLKPCYLFA386 VVAGDLKHLS396 ATYITKYTKK 406 KVELYVFSEE416 KYVSKLQWAL426 ECLKKSMAFD436 EDYFGLEYDL446 SRLNLVAVSD 456 FNVGAMENKG466 LNIFNANSLL476 ASKKNSIDFS486 YARILTVVGH496 EYFHQYTGNR 506 VTLRDWFQLT516 LKEGLTVHRE526 NLFSEEMTKT536 VTTRLSHVDL546 LRSVQFLEDS 556 SPLSHPIRPE566 SYVSMENFYT576 TTVYDKGSEV586 MRMYLTILGE596 EYYKKGFDIY 606 IKKNDGNTAT616 CEDFNYAMEQ626 AYKMKKADNS636 ANLNQYLLWF646 SQSGTPHVSF 656 KYNYDAEKKQ666 YSIHVNQYTK676 PDENQKEKKP686 LFIPISVGLI696 NPENGKEMIS 706 QTTLELTKES716 DTFVFNNIAV726 KPIPSLFRGF736 SAPVYIEDQL746 TDEERILLLK 756 YDSDAFVRYN766 SCTNIYMKQI776 LMNYNEFLKA786 KNEKLESFQL796 TPVNAQFIDA 806 IKYLLEDPHA816 DAGFKSYIVS826 LPQDRYIINF836 VSNLDTDVLA846 DTKEYIYKQI 856 GDKLNDVYYK866 MFKSLEAKAD876 DLTYFNDESH886 VDFDQMNMRT896 LRNTLLSLLS 906 KAQYPNILNE916 IIEHSKSPYP926 SNWLTSLSVS936 AYFDKYFELY946 DKTYKLSKDD 956 ELLLQEWLKT966 VSRSDRKDIY976 EILKKLENEV986 LKDSKNPNDI996 RAVYLPFTNN 1006 LRRFHDISGK1016 GYKLIAEVIT1026 KTDKFNPMVA1036 TQLCEPFKLW1046 NKLDTKRQEL 1056 MLNEMNTMLQ1066 EPQISNNLKE1076 YLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4SZ or .4SZ2 or .4SZ3 or :34SZ;style chemicals stick;color identity;select .A:304 or .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:523 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU304
4.093
THR305
3.454
GLN317
3.259
GLU319
3.077
ALA320
3.427
ASN458
3.301
VAL459
3.519
GLY460
3.061
ALA461
2.823
MET462
4.065
GLU463
3.047
ARG489
3.660
|
|||||
| Ligand Name: (2s)-3-[(R)-[(1s)-1-Amino-3-Phenylpropyl](Hydroxy)phosphoryl]-2-Benzylpropanoic Acid | Ligand Info | |||||
| Structure Description | Structure of the M1 Alanylaminopeptidase from malaria complexed with the phosphinate dipeptide analog | PDB:3EBI | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEY or .BEY2 or .BEY3 or :3BEY;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:492 or .A:493 or .A:496 or .A:497 or .A:500 or .A:518 or .A:519 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN317
3.323
GLU319
2.531
ALA320
3.853
ASN458
4.750
VAL459
3.245
GLY460
2.861
ALA461
3.202
MET462
3.445
GLU463
2.587
ARG489
3.183
THR492
3.978
|
|||||
| Ligand Name: N-[(1r)-1-(4-Bromophenyl)-2-(Hydroxyamino)-2-Oxoethyl]-2,2-Dimethylpropanamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b | PDB:4ZX3 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [15] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4TK or .4TK2 or .4TK3 or :34TK;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:496 or .A:497 or .A:500 or .A:519 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: tert-butyl N-[(1S)-2-(hydroxyamino)-1-[4-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-2-oxoethyl]carbamate | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9r | PDB:4ZW8 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [15] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4T2 or .4T22 or .4T23 or :34T2;style chemicals stick;color identity;select .A:303 or .A:304 or .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:523 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA303
4.141
LEU304
2.511
THR305
3.177
GLN317
3.302
GLU319
3.081
ALA320
3.608
ASN458
2.408
VAL459
3.502
GLY460
3.033
ALA461
2.870
MET462
4.360
GLU463
2.839
|
|||||
| Ligand Name: N-{(1r)-2-(Hydroxyamino)-1-[3'-(N'-Hydroxycarbamimidoyl)biphenyl-4-Yl]-2-Oxoethyl}-2,2-Dimethylpropanamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s | PDB:4ZX6 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [15] |
| PDB Sequence |
KIHYRKDYKP
206 SGFIINQVTL216 NINIHDQETI226 VRSVLDMDIS236 KHNVGEDLVF246 DGVGLKINEI 256 SINNKKLVEG266 EEYTYDNEFL276 TIFSKFVPKS286 KFAFSSEVII296 HPETNYALTG 306 LYKSKNIIVS316 QCEATGFRRI326 TFFIDRPDMM336 AKYDVTVTAD346 KEKYPVLLSN 356 GDKVNEFEIP366 GGRHGARFND376 PPLKPCYLFA386 VVAGDLKHLS396 ATYITKYTKK 406 KVELYVFSEE416 KYVSKLQWAL426 ECLKKSMAFD436 EDYFGLEYDL446 SRLNLVAVSD 456 FNVGAMENKG466 LNIFNANSLL476 ASKKNSIDFS486 YARILTVVGH496 EYFHQYTGNR 506 VTLRDWFQLT516 LKEGLTVHRE526 NLFSEEMTKT536 VTTRLSHVDL546 LRSVQFLEDS 556 SPLSHPIRPE566 SYVSMENFYT576 TTVYDKGSEV586 MRMYLTILGE596 EYYKKGFDIY 606 IKKNDGNTAT616 CEDFNYAMEQ626 AYKMKKADNS636 ANLNQYLLWF646 SQSGTPHVSF 656 KYNYDAEKKQ666 YSIHVNQYTK676 PDENQKEKKP686 LFIPISVGLI696 NPENGKEMIS 706 QTTLELTKES716 DTFVFNNIAV726 KPIPSLFRGF736 SAPVYIEDQL746 TDEERILLLK 756 YDSDAFVRYN766 SCTNIYMKQI776 LMNYNEFLKA786 KNEKLESFQL796 TPVNAQFIDA 806 IKYLLEDPHA816 DAGFKSYIVS826 LPQDRYIINF836 VSNLDTDVLA846 DTKEYIYKQI 856 GDKLNDVYYK866 MFKSLEAKAD876 DLTYFNDESH886 VDFDQMNMRT896 LRNTLLSLLS 906 KAQYPNILNE916 IIEHSKSPYP926 SNWLTSLSVS936 AYFDKYFELY946 DKTYKLSKDD 956 ELLLQEWLKT966 VSRSDRKDIY976 EILKKLENEV986 LKDSKNPNDI996 RAVYLPFTNN 1006 LRRFHDISGK1016 GYKLIAEVIT1026 KTDKFNPMVA1036 TQLCEPFKLW1046 NKLDTKRQEL 1056 MLNEMNTMLQ1066 EPQISNNLKE1076 YLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4U6 or .4U62 or .4U63 or :34U6;style chemicals stick;color identity;select .A:317 or .A:319 or .A:320 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:571 or .A:572 or .A:573 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN317
4.858
GLU319
3.874
ALA320
3.654
VAL459
3.460
GLY460
3.039
ALA461
2.712
MET462
4.322
GLU463
2.702
ARG489
3.354
VAL493
4.910
|
|||||
| Ligand Name: N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of Pf-M1 in complex with inhibitor (6h) and catalytic zinc ion | PDB:6EA2 | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | Yes | [16] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J1G or .J1G2 or .J1G3 or :3J1G;style chemicals stick;color identity;select .A:304 or .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:492 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:523 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU304
4.215
THR305
3.487
GLN317
3.376
GLU319
3.033
ALA320
3.408
ASN458
3.494
VAL459
3.471
GLY460
2.875
ALA461
2.941
MET462
4.069
GLU463
2.900
ARG489
3.786
|
|||||
| Ligand Name: (2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of Pf-M1 in complex with inhibitor (6p) and catalytic zinc ion | PDB:6EED | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [16] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J6A or .J6A2 or .J6A3 or :3J6A;style chemicals stick;color identity;select .A:304 or .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:496 or .A:497 or .A:500 or .A:519 or .A:571 or .A:572 or .A:575 or .A:576 or .A:577 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU304
4.073
THR305
3.372
GLN317
3.380
GLU319
3.150
ALA320
3.402
ASN458
3.388
VAL459
3.411
GLY460
3.017
ALA461
2.777
MET462
4.099
GLU463
2.894
|
|||||
| Ligand Name: (2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of Pf-M1 in complex with inhibitor (6o) and catalytic zinc ion | PDB:6EE6 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [16] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J4P or .J4P2 or .J4P3 or :3J4P;style chemicals stick;color identity;select .A:304 or .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:492 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU304
4.092
THR305
3.404
GLN317
3.341
GLU319
3.071
ALA320
3.435
ASN458
3.517
VAL459
3.432
GLY460
2.798
ALA461
2.910
MET462
4.054
GLU463
2.929
ARG489
3.543
|
|||||
| Ligand Name: (2s)-({(2r)-2-[(1s)-1-Hydroxy-2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpentanoyl}amino)(Phenyl)ethanoic Acid | Ligand Info | |||||
| Structure Description | X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M1 Alanyl Aminopeptidase from P. falciparum | PDB:4X2U | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [17] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TOD or .TOD2 or .TOD3 or :3TOD;style chemicals stick;color identity;select .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:492 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:580 or .A:997 or .A:1038; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of Pf-M1 in complex with inhibitor (6m) and catalytic zinc ion | PDB:6EE4 | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | Yes | [16] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J4S or .J4S2 or .J4S3 or :3J4S;style chemicals stick;color identity;select .A:304 or .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:496 or .A:497 or .A:500 or .A:519 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU304
4.088
THR305
3.461
GLN317
3.318
GLU319
3.044
ALA320
3.368
ASN458
3.443
VAL459
3.491
GLY460
2.848
ALA461
2.799
MET462
3.982
GLU463
2.951
|
|||||
| Ligand Name: N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of Pf-M1 in complex with inhibitor (6i) and catalytic zinc ion | PDB:6EAA | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [16] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J1V or .J1V2 or .J1V3 or :3J1V;style chemicals stick;color identity;select .A:304 or .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:492 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:523 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU304
4.186
THR305
3.405
GLN317
3.423
GLU319
3.099
ALA320
3.449
ASN458
3.513
VAL459
3.484
GLY460
2.797
ALA461
2.850
MET462
4.066
GLU463
2.934
ARG489
3.507
|
|||||
| Ligand Name: (2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of Pf-M1 in complex with inhibitor (6da) and catalytic zinc ion | PDB:6EA1 | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | Yes | [16] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J0Y or .J0Y2 or .J0Y3 or :3J0Y;style chemicals stick;color identity;select .A:304 or .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU304
4.197
THR305
3.485
GLN317
3.321
GLU319
3.009
ALA320
3.423
ASN458
3.524
VAL459
3.549
GLY460
2.902
ALA461
2.894
MET462
4.014
GLU463
2.999
|
|||||
| Ligand Name: N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of Pf-M1 in complex with inhibitor (6j) and catalytic zinc ion | PDB:6EAB | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [16] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J2D or .J2D2 or .J2D3 or :3J2D;style chemicals stick;color identity;select .A:304 or .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:493 or .A:496 or .A:497 or .A:500 or .A:519 or .A:526 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU304
4.203
THR305
3.461
GLN317
3.389
GLU319
3.104
ALA320
3.476
ASN458
3.487
VAL459
3.525
GLY460
2.908
ALA461
2.933
MET462
4.073
GLU463
2.868
ARG489
3.549
|
|||||
| Ligand Name: (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of Pf-M1 in complex with inhibitor (6k) and catalytic zinc ion | PDB:6EE3 | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [16] |
| PDB Sequence |
PKIHYRKDYK
205 PSGFIINQVT215 LNINIHDQET225 IVRSVLDMDI235 SKHNVGEDLV245 FDGVGLKINE 255 ISINNKKLVE265 GEEYTYDNEF275 LTIFSKFVPK285 SKFAFSSEVI295 IHPETNYALT 305 GLYKSKNIIV315 SQCEATGFRR325 ITFFIDRPDM335 MAKYDVTVTA345 DKEKYPVLLS 355 NGDKVNEFEI365 PGGRHGARFN375 DPPLKPCYLF385 AVVAGDLKHL395 SATYITKYTK 405 KKVELYVFSE415 EKYVSKLQWA425 LECLKKSMAF435 DEDYFGLEYD445 LSRLNLVAVS 455 DFNVGAMENK465 GLNIFNANSL475 LASKKNSIDF485 SYARILTVVG495 HEYFHQYTGN 505 RVTLRDWFQL515 TLKEGLTVHR525 ENLFSEEMTK535 TVTTRLSHVD545 LLRSVQFLED 555 SSPLSHPIRP565 ESYVSMENFY575 TTTVYDKGSE585 VMRMYLTILG595 EEYYKKGFDI 605 YIKKNDGNTA615 TCEDFNYAME625 QAYKMKKADN635 SANLNQYLLW645 FSQSGTPHVS 655 FKYNYDAEKK665 QYSIHVNQYT675 KPDENQKEKK685 PLFIPISVGL695 INPENGKEMI 705 SQTTLELTKE715 SDTFVFNNIA725 VKPIPSLFRG735 FSAPVYIEDQ745 LTDEERILLL 755 KYDSDAFVRY765 NSCTNIYMKQ775 ILMNYNEFLK785 AKNEKLESFQ795 LTPVNAQFID 805 AIKYLLEDPH815 ADAGFKSYIV825 SLPQDRYIIN835 FVSNLDTDVL845 ADTKEYIYKQ 855 IGDKLNDVYY865 KMFKSLEAKA875 DDLTYFNDES885 HVDFDQMNMR895 TLRNTLLSLL 905 SKAQYPNILN915 EIIEHSKSPY925 PSNWLTSLSV935 SAYFDKYFEL945 YDKTYKLSKD 955 DELLLQEWLK965 TVSRSDRKDI975 YEILKKLENE985 VLKDSKNPND995 IRAVYLPFTN 1005 NLRRFHDISG1015 KGYKLIAEVI1025 TKTDKFNPMV1035 ATQLCEPFKL1045 WNKLDTKRQE 1055 LMLNEMNTML1065 QEPQISNNLK1075 EYLLRLTNK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J4V or .J4V2 or .J4V3 or :3J4V;style chemicals stick;color identity;select .A:304 or .A:305 or .A:317 or .A:319 or .A:320 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:489 or .A:496 or .A:497 or .A:500 or .A:519 or .A:571 or .A:572 or .A:575 or .A:580 or .A:1034; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU304
4.113
THR305
3.392
GLN317
3.303
GLU319
3.031
ALA320
3.374
ASN458
3.609
VAL459
3.570
GLY460
2.940
ALA461
2.892
MET462
3.974
GLU463
2.955
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for the inhibition of the essential Plasmodium falciparum M1 neutral aminopeptidase. Proc Natl Acad Sci U S A. 2009 Feb 24;106(8):2537-42. | ||||
| REF 2 | A naturally variable residue in the S1 subsite of M1 family aminopeptidases modulates catalytic properties and promotes functional specialization. J Biol Chem. 2013 Sep 6;288(36):26004-26012. | ||||
| REF 3 | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with actinonin | ||||
| REF 4 | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,6-diethylphenyl)ureido)- N-hydroxy-4-methylpentanamide | ||||
| REF 5 | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3,4-dimethylbenzyl)ureido)-N-hydroxy-4-methylpentanamide | ||||
| REF 6 | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-N-hydroxy-4-methyl-2-(3-( o-tolyl)ureido)pentanamide | ||||
| REF 7 | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,4-difluorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | ||||
| REF 8 | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-N-hydroxy-4-methyl-2-(3-(3-methylbenzyl)ureido)pentanamide | ||||
| REF 9 | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization. doi:10.1016/j.cclet.2021.09.102. | ||||
| REF 10 | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)- N-hydroxy-4-methylpentanamide. | ||||
| REF 11 | Two-pronged attack: dual inhibition of Plasmodium falciparum M1 and M17 metalloaminopeptidases by a novel series of hydroxamic acid-based inhibitors. J Med Chem. 2014 Nov 13;57(21):9168-83. | ||||
| REF 12 | Synthesis and structure-activity relationships of phosphonic arginine mimetics as inhibitors of the M1 and M17 aminopeptidases from Plasmodium falciparum. J Med Chem. 2013 Jun 27;56(12):5213-7. | ||||
| REF 13 | Bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases. Proc Natl Acad Sci U S A. 2011 Aug 23;108(34):E526-34. | ||||
| REF 14 | Synthesis of new (-)-bestatin-based inhibitor libraries reveals a novel binding mode in the S1 pocket of the essential malaria M1 metalloaminopeptidase. J Med Chem. 2011 Mar 24;54(6):1655-66. | ||||
| REF 15 | Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur J Med Chem. 2016 Mar 3;110:43-64. | ||||
| REF 16 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J Med Chem. 2019 Jan 24;62(2):622-640. | ||||
| REF 17 | X-ray crystal structures of an orally available aminopeptidase inhibitor, Tosedostat, bound to anti-malarial drug targets PfA-M1 and PfA-M17. Proteins. 2015 Apr;83(4):789-95. | ||||
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