Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T97008 | Target Info | |||
| Target Name | S-adenosylmethionine synthase type-2 (MAT2A) | ||||
| Synonyms | Methionine adenosyltransferase II; Methionine adenosyltransferase 2; MAT-II; MAT 2; AdoMet synthase 2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MAT2A | ||||
| Biochemical Class | AdoMet synthase family | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine | Ligand Info | |||||
| Structure Description | The structure of Human MAT2A in complex with SAM, Adenosine, Methionine and PPNP. | PDB:5A1I | ||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | No | [1] |
| PDB Sequence |
EGTFLFTSES
24 VGEGHPDKIC34 DQISDAVLDA44 HLQQDPDAKV54 ACETVAKTGM64 ILLAGEITSR 74 AAVDYQKVVR84 EAVKHIGYDD94 SSKGFDYKTC104 NVLVALEQQS114 PDIAQGVHLD 124 RNEEDIGAGD134 QGLMFGYATD144 ETEECMPLTI154 VLAHKLNAKL164 AELRRNGTLP 174 WLRPDSKTQV184 TVQYMQDRGA194 VLPIRVHTIV204 ISVQHDEEVC214 LDEMRDALKE 224 KVIKAVVPAK234 YLDEDTIYHL244 QPSGRFVIGG254 PQGDAGLTGR264 KIIVDTYGGW 274 GAHGGGAFSG284 KDYTKVDRSA294 AYAARWVAKS304 LVKGGLCRRV314 LVQVSYAIGV 324 SHPLSISIFH334 YGTSQKSERE344 LLEIVKKNFD354 LRPGVIVRDL364 DLKKPIYQRT 374 AAYGHFGRDS384 FPWEVPKKLK394 Y
|
|||||
|
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Ademetionine | Ligand Info | |||||
| Structure Description | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192 | PDB:7RWG | ||||
| Method | X-ray diffraction | Resolution | 0.97 Å | Mutation | No | [2] |
| PDB Sequence |
FIEEGTFLFT
21 SESVGEGHPD31 KICDQISDAV41 LDAHLQQDPD51 AKVACETVAK61 TGMILLAGEI 71 TSRAAVDYQK81 VVREAVKHIG91 YDDSSKGFDY101 KTCNVLVALE111 QQSPDIAQGV 121 HLDRNEEDIG131 AGDQGLMFGY141 ATDETEECMP151 LTIVLAHKLN161 AKLAELRRNG 171 TLPWLRPDSK181 TQVTVQYMQD191 RGAVLPIRVH201 TIVISVQHDE211 EVCLDEMRDA 221 LKEKVIKAVV231 PAKYLDEDTI241 YHLQPSGRFV251 IGGPQGDAGL261 TGRKIIVDTY 271 GGWGAHGGGA281 FSGKDYTKVD291 RSAAYAARWV301 AKSLVKGGLC311 RRVLVQVSYA 321 IGVSHPLSIS331 IFHYGTSQKS341 ERELLEIVKK351 NFDLRPGVIV361 RDLDLKKPIY 371 QRTAAYGHFG381 RDSFPWEVPK391 KLKY
|
|||||
|
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-alanine | Ligand Info | |||||
| Structure Description | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor, di-imido triphosphate (PNPNP) | PDB:7L1A | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [3] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ALA or .ALA2 or .ALA3 or :3ALA;style chemicals stick;color identity;select .A:257 or .A:258 or .A:259; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: D-methionine | Ligand Info | |||||
| Structure Description | Human S-adenosylmethionine synthetase co-crystallized with UppNHp and Met | PDB:6WKB | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [4] |
| PDB Sequence |
EGTFLFTSES
24 VGEGHPDKIC34 DQISDAVLDA44 HLQQDPDAKV54 ACETVAKTGM64 ILLAGEITSR 74 AAVDYQKVVR84 EAVKHIGYDD94 SSKGFDYKTC104 NVLVALEQQS114 PDIAQGVHLD 124 RNEEDIGAGD134 QGLMFGYATD144 ETEECMPLTI154 VLAHKLNAKL164 AELRRNGTLP 174 WLRPDSKTQV184 TVQYMQDRGA194 VLPIRVHTIV204 ISVQHDEEVC214 LDEMRDALKE 224 KVIKAVVPAK234 YLDEDTIYHL244 QPSGRFVIGG254 PQGDAGLTGR264 KIIVDTYGGW 274 GAHGGGAFSG284 KDYTKVDRSA294 AYAARWVAKS304 LVKGGLCRRV314 LVQVSYAIGV 324 SHPLSISIFH334 YGTSQKSERE344 LLEIVKKNFD354 LRPGVIVRDL364 DLKKPIYQRT 374 AAYGHFGRDS384 FPWEVPKKLK394 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MED or .MED2 or .MED3 or :3MED;style chemicals stick;color identity;select .A:55 or .A:70 or .A:113 or .A:117 or .A:133 or .A:134 or .A:289 or .A:322; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: L-methionine | Ligand Info | |||||
| Structure Description | The structure of Human MAT2A in complex with SAM, Adenosine, Methionine and PPNP. | PDB:5A1I | ||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | No | [1] |
| PDB Sequence |
EGTFLFTSES
24 VGEGHPDKIC34 DQISDAVLDA44 HLQQDPDAKV54 ACETVAKTGM64 ILLAGEITSR 74 AAVDYQKVVR84 EAVKHIGYDD94 SSKGFDYKTC104 NVLVALEQQS114 PDIAQGVHLD 124 RNEEDIGAGD134 QGLMFGYATD144 ETEECMPLTI154 VLAHKLNAKL164 AELRRNGTLP 174 WLRPDSKTQV184 TVQYMQDRGA194 VLPIRVHTIV204 ISVQHDEEVC214 LDEMRDALKE 224 KVIKAVVPAK234 YLDEDTIYHL244 QPSGRFVIGG254 PQGDAGLTGR264 KIIVDTYGGW 274 GAHGGGAFSG284 KDYTKVDRSA294 AYAARWVAKS304 LVKGGLCRRV314 LVQVSYAIGV 324 SHPLSISIFH334 YGTSQKSERE344 LLEIVKKNFD354 LRPGVIVRDL364 DLKKPIYQRT 374 AAYGHFGRDS384 FPWEVPKKLK394 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MET or .MET2 or .MET3 or :3MET;style chemicals stick;color identity;select .A:257 or .A:258; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Pyrophosphate 2- | Ligand Info | |||||
| Structure Description | Crystal Structure of hMAT Mutant K289L | PDB:6P9V | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [5] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTLVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .POP or .POP2 or .POP3 or :3POP;style chemicals stick;color identity;select .A:23 or .A:29 or .A:31 or .A:181 or .A:264 or .A:265; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Methylthioadenosine | Ligand Info | |||||
| Structure Description | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor, di-imido triphosphate (PNPNP) | PDB:7L1A | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [3] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MTA or .MTA2 or .MTA3 or :3MTA;style chemicals stick;color identity;select .A:29 or .A:30 or .A:31 or .A:179 or .A:180 or .A:181 or .A:206 or .A:246 or .A:247 or .A:249 or .A:250 or .A:251 or .A:252 or .A:253 or .A:254 or .A:257 or .A:258; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (Diphosphono)aminophosphonic acid | Ligand Info | |||||
| Structure Description | The structure of Human MAT2A in complex with SAM, Adenosine, Methionine and PPNP. | PDB:5A1I | ||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | No | [1] |
| PDB Sequence |
EGTFLFTSES
24 VGEGHPDKIC34 DQISDAVLDA44 HLQQDPDAKV54 ACETVAKTGM64 ILLAGEITSR 74 AAVDYQKVVR84 EAVKHIGYDD94 SSKGFDYKTC104 NVLVALEQQS114 PDIAQGVHLD 124 RNEEDIGAGD134 QGLMFGYATD144 ETEECMPLTI154 VLAHKLNAKL164 AELRRNGTLP 174 WLRPDSKTQV184 TVQYMQDRGA194 VLPIRVHTIV204 ISVQHDEEVC214 LDEMRDALKE 224 KVIKAVVPAK234 YLDEDTIYHL244 QPSGRFVIGG254 PQGDAGLTGR264 KIIVDTYGGW 274 GAHGGGAFSG284 KDYTKVDRSA294 AYAARWVAKS304 LVKGGLCRRV314 LVQVSYAIGV 324 SHPLSISIFH334 YGTSQKSERE344 LLEIVKKNFD354 LRPGVIVRDL364 DLKKPIYQRT 374 AAYGHFGRDS384 FPWEVPKKLK394 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PPK or .PPK2 or .PPK3 or :3PPK;style chemicals stick;color identity;select .A:29 or .A:31 or .A:181 or .A:258 or .A:259 or .A:264 or .A:265; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: S-Adenosylethionine | Ligand Info | |||||
| Structure Description | The structure of Human MAT2A in complex with S-adenosylethionine and PPNP. | PDB:5A1G | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [1] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S7M or .S7M2 or .S7M3 or :3S7M;style chemicals stick;color identity;select .A:29 or .A:30 or .A:179 or .A:180 or .A:181 or .A:206 or .A:247 or .A:249 or .A:250 or .A:252 or .A:257 or .A:258; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylidene-lambda4-sulfanyl]butanoic acid | Ligand Info | |||||
| Structure Description | S-adenosylmethionine synthetase co-crystallized with UppNHp | PDB:7LNH | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [6] |
| PDB Sequence |
EGTFLFTSES
24 VGEGHPDKIC34 DQISDAVLDA44 HLQQDPDAKV54 ACETVAKTGM64 ILLAGEITSR 74 AAVDYQKVVR84 EAVKHIGYDD94 SSKGFDYKTC104 NVLVALEQQS114 PDIAQGVHLD 124 RNEEDIGAGD134 QGLMFGYATD144 ETEECMPLTI154 VLAHKLNAKL164 AELRRNGTLP 174 WLRPDSKTQV184 TVQYMQDRGA194 VLPIRVHTIV204 ISVQHDEEVC214 LDEMRDALKE 224 KVIKAVVPAK234 YLDEDTIYHL244 QPSGRFVIGG254 PQGDAGLTGR264 KIIVDTYGGW 274 GAHGGGAFSG284 KDYTKVDRSA294 AYAARWVAKS304 LVKGGLCRRV314 LVQVSYAIGV 324 SHPLSISIFH334 YGTSQKSERE344 LLEIVKKNFD354 LRPGVIVRDL364 DLKKPIYQRT 374 AAYGHFGRDS384 FPWEVPKKLK394 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YQP or .YQP2 or .YQP3 or :3YQP;style chemicals stick;color identity;select .A:29 or .A:30 or .A:179 or .A:180 or .A:181 or .A:206 or .A:247 or .A:249 or .A:250 or .A:252 or .A:257 or .A:258; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5'-Deoxyuridine | Ligand Info | |||||
| Structure Description | Human S-adenosylmethionine synthetase co-crystallized with UppNHp and Met | PDB:6WKB | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [4] |
| PDB Sequence |
EGTFLFTSES
24 VGEGHPDKIC34 DQISDAVLDA44 HLQQDPDAKV54 ACETVAKTGM64 ILLAGEITSR 74 AAVDYQKVVR84 EAVKHIGYDD94 SSKGFDYKTC104 NVLVALEQQS114 PDIAQGVHLD 124 RNEEDIGAGD134 QGLMFGYATD144 ETEECMPLTI154 VLAHKLNAKL164 AELRRNGTLP 174 WLRPDSKTQV184 TVQYMQDRGA194 VLPIRVHTIV204 ISVQHDEEVC214 LDEMRDALKE 224 KVIKAVVPAK234 YLDEDTIYHL244 QPSGRFVIGG254 PQGDAGLTGR264 KIIVDTYGGW 274 GAHGGGAFSG284 KDYTKVDRSA294 AYAARWVAKS304 LVKGGLCRRV314 LVQVSYAIGV 324 SHPLSISIFH334 YGTSQKSERE344 LLEIVKKNFD354 LRPGVIVRDL364 DLKKPIYQRT 374 AAYGHFGRDS384 FPWEVPKKLK394 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U4P or .U4P2 or .U4P3 or :3U4P;style chemicals stick;color identity;select .A:29 or .A:30 or .A:179 or .A:180 or .A:181 or .A:206 or .A:247 or .A:249 or .A:250 or .A:252 or .A:257 or .A:258; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192 | PDB:7RWG | ||||
| Method | X-ray diffraction | Resolution | 0.97 Å | Mutation | No | [2] |
| PDB Sequence |
FIEEGTFLFT
21 SESVGEGHPD31 KICDQISDAV41 LDAHLQQDPD51 AKVACETVAK61 TGMILLAGEI 71 TSRAAVDYQK81 VVREAVKHIG91 YDDSSKGFDY101 KTCNVLVALE111 QQSPDIAQGV 121 HLDRNEEDIG131 AGDQGLMFGY141 ATDETEECMP151 LTIVLAHKLN161 AKLAELRRNG 171 TLPWLRPDSK181 TQVTVQYMQD191 RGAVLPIRVH201 TIVISVQHDE211 EVCLDEMRDA 221 LKEKVIKAVV231 PAKYLDEDTI241 YHLQPSGRFV251 IGGPQGDAGL261 TGRKIIVDTY 271 GGWGAHGGGA281 FSGKDYTKVD291 RSAAYAARWV301 AKSLVKGGLC311 RRVLVQVSYA 321 IGVSHPLSIS331 IFHYGTSQKS341 ERELLEIVKK351 NFDLRPGVIV361 RDLDLKKPIY 371 QRTAAYGHFG381 RDSFPWEVPK391 KLKY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7UN or .7UN2 or .7UN3 or :37UN;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:141 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:273 or .A:274 or .A:275 or .A:313 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: CID 134307780 | Ligand Info | |||||
| Structure Description | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-24512 | PDB:7KCF | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [7] |
| PDB Sequence |
EEGTFLFTSE
23 SVGEGHPDKI33 CDQISDAVLD43 AHLQQDPDAK53 VACETVAKTG63 MILLAGEITS 73 RAAVDYQKVV83 REAVKHIGYD93 DSSKGFDYKT103 CNVLVALEQQ113 SPDIAQGVHL 123 DRNEEDIGAG133 DQGLMFGYAT143 DETEECMPLT153 IVLAHKLNAK163 LAELRRNGTL 173 PWLRPDSKTQ183 VTVQYMQDRG193 AVLPIRVHTI203 VISVQHDEEV213 CLDEMRDALK 223 EKVIKAVVPA233 KYLDEDTIYH243 LQPSGRFVIG253 GPQGDAGLTG263 RKIIVDTYGG 273 WGAHGGGAFS283 GKDYTKVDRS293 AAYAARWVAK303 SLVKGGLCRR313 VLVQVSYAIG 323 VSHPLSISIF333 HYGTSQKSER343 ELLEIVKKNF353 DLRPGVIVRD363 LDLKKPIYQR 373 TAAYGHFGRD383 SFPWEVPKKL393 KY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J4A or .J4A2 or .J4A3 or :3J4A;style chemicals stick;color identity;select .A:16 or .A:18 or .A:19 or .A:20 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:273 or .A:274 or .A:275 or .A:276 or .A:313 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 2 | PDB:7KCE | ||||
| Method | X-ray diffraction | Resolution | 1.14 Å | Mutation | No | [7] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J41 or .J412 or .J413 or :3J41;style chemicals stick;color identity;select .A:16 or .A:18 or .A:19 or .A:20 or .A:190 or .A:193 or .A:195 or .A:273 or .A:274 or .A:275 or .A:276 or .A:313 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one | Ligand Info | |||||
| Structure Description | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9 | PDB:7RW7 | ||||
| Method | X-ray diffraction | Resolution | 1.19 Å | Mutation | No | [2] |
| PDB Sequence |
IEEGTFLFTS
22 ESVGEGHPDK32 ICDQISDAVL42 DAHLQQDPDA52 KVACETVAKT62 GMILLAGEIT 72 SRAAVDYQKV82 VREAVKHIGY92 DDSSKGFDYK102 TCNVLVALEQ112 QSPDIAQGVH 122 LDRNEEDIGA132 GDQGLMFGYA142 TDETEECMPL152 TIVLAHKLNA162 KLAELRRNGT 172 LPWLRPDSKT182 QVTVQYMQDR192 GAVLPIRVHT202 IVISVQHDEE212 VCLDEMRDAL 222 KEKVIKAVVP232 AKYLDEDTIY242 HLQPSGRFVI252 GGPQGDAGLT262 GRKIIVDTYG 272 GWGAHGGGAF282 SGKDYTKVDR292 SAAYAARWVA302 KSLVKGGLCR312 RVLVQVSYAI 322 GVSHPLSISI332 FHYGTSQKSE342 RELLEIVKKN352 FDLRPGVIVR362 DLDLKKPIYQ 372 RTAAYGHFGR382 DSFPWEVPKK392 LKY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7UB or .7UB2 or .7UB3 or :37UB;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:273 or .A:274 or .A:275 or .A:313 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 34 | PDB:7KDA | ||||
| Method | X-ray diffraction | Resolution | 1.24 Å | Mutation | No | [7] |
| PDB Sequence |
EGTFLFTSES
24 VGEGHPDKIC34 DQISDAVLDA44 HLQQDPDAKV54 ACETVAKTGM64 ILLAGEITSR 74 AAVDYQKVVR84 EAVKHIGYDD94 SSKGFDYKTC104 NVLVALEQQS114 PDIAQGVHLD 124 RNEEDIGAGD134 QGLMFGYATD144 ETEECMPLTI154 VLAHKLNAKL164 AELRRNGTLP 174 WLRPDSKTQV184 TVQYMQDRGA194 VLPIRVHTIV204 ISVQHDEEVC214 LDEMRDALKE 224 KVIKAVVPAK234 YLDEDTIYHL244 QPSGRFVIGG254 PQGDAGLTGR264 KIIVDTYGGW 274 GAHGGGAFSG284 KDYTKVDRSA294 AYAARWVAKS304 LVKGGLCRRV314 LVQVSYAIGV 324 SHPLSISIFH334 YGTSQKSERE344 LLEIVKKNFD354 LRPGVIVRDL364 DLKKPIYQRT 374 AAYGHFGRDS384 FPWEVPKKLK394 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WBM or .WBM2 or .WBM3 or :3WBM;style chemicals stick;color identity;select .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:190 or .A:193 or .A:195 or .A:273 or .A:274 or .A:275 or .A:276 or .A:313 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: E1P2Tdu69L | Ligand Info | |||||
| Structure Description | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AG-270 | PDB:7KCC | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [7] |
| PDB Sequence |
EEGTFLFTSE
23 SVGEGHPDKI33 CDQISDAVLD43 AHLQQDPDAK53 VACETVAKTG63 MILLAGEITS 73 RAAVDYQKVV83 REAVKHIGYD93 DSSKGFDYKT103 CNVLVALEQQ113 SPDIAQGVHL 123 DRNEEDIGAG133 DQGLMFGYAT143 DETEECMPLT153 IVLAHKLNAK163 LAELRRNGTL 173 PWLRPDSKTQ183 VTVQYMQDRG193 AVLPIRVHTI203 VISVQHDEEV213 CLDEMRDALK 223 EKVIKAVVPA233 KYLDEDTIYH243 LQPSGRFVIG253 GPQGDAGLTG263 RKIIVDTYGG 273 WGAHGGGAFS283 GKDYTKVDRS293 AAYAARWVAK303 SLVKGGLCRR313 VLVQVSYAIG 323 VSHPLSISIF333 HYGTSQKSER343 ELLEIVKKNF353 DLRPGVIVRD363 LDLKKPIYQR 373 TAAYGHFGRD383 SFPWEVPKKL393 KY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WBG or .WBG2 or .WBG3 or :3WBG;style chemicals stick;color identity;select .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:273 or .A:274 or .A:275 or .A:276 or .A:313 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Chloro-2-methoxy-4-phenylquinazoline | Ligand Info | |||||
| Structure Description | Crystal structure of MAT2a with quinazoline fragment 2 bound in the allosteric site | PDB:7BHS | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [8] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TNZ or .TNZ2 or .TNZ3 or :3TNZ;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:190 or .A:193 or .A:194 or .A:195 or .A:273 or .A:274 or .A:275 or .A:313 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of MAT2a with quinazolinone fragment 5 bound in the allosteric site | PDB:7BHT | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [8] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TO8 or .TO82 or .TO83 or :3TO8;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:141 or .A:190 or .A:195 or .A:274 or .A:313 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of MAT2a with triazinone fragment 1 bound in the allosteric site | PDB:7BHR | ||||
| Method | X-ray diffraction | Resolution | 1.08 Å | Mutation | No | [8] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TQE or .TQE2 or .TQE3 or :3TQE;style chemicals stick;color identity;select .A:18 or .A:20 or .A:141 or .A:190 or .A:195 or .A:274 or .A:275 or .A:313 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-Chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of MAT2a bound to allosteric inhibitor (compound 31) | PDB:7BHX | ||||
| Method | X-ray diffraction | Resolution | 1.08 Å | Mutation | No | [8] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TO5 or .TO52 or .TO53 or :3TO5;style chemicals stick;color identity;select .A:139 or .A:275 or .A:276 or .A:315 or .A:316 or .A:317 or .A:331 or .A:332 or .A:333 or .A:335 or .A:342; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-Chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of MAT2a with elaborated fragment 26 bound in the allosteric site | PDB:7BHU | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | No | [8] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TOW or .TOW2 or .TOW3 or :3TOW;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:141 or .A:190 or .A:193 or .A:195 or .A:273 or .A:274 or .A:275 or .A:313 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-Chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of MAT2a bound to allosteric inhibitor (compound 29) | PDB:7BHW | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | No | [8] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TNW or .TNW2 or .TNW3 or :3TNW;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:141 or .A:190 or .A:195 or .A:273 or .A:274 or .A:275 or .A:313 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: MAT2A inhibitor 3 | Ligand Info | |||||
| Structure Description | Crystal structure of MAT2a bound to allosteric inhibitor and in vivo tool compound 28 | PDB:7BHV | ||||
| Method | X-ray diffraction | Resolution | 1.16 Å | Mutation | No | [8] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TQB or .TQB2 or .TQB3 or :3TQB;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:141 or .A:190 or .A:193 or .A:195 or .A:273 or .A:274 or .A:275 or .A:313 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: PF 9366-Bio-X | Ligand Info | |||||
| Structure Description | Crystal structure of Mat2a bound to the allosteric inhibitor PF-02929366 | PDB:5UGH | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [9] |
| PDB Sequence |
FIEEGTFLFT
21 SESVGEGHPD31 KICDQISDAV41 LDAHLQQDPD51 AKVACETVAK61 TGMILLAGEI 71 TSRAAVDYQK81 VVREAVKHIG91 YDDSSKGFDY101 KTCNVLVALE111 QQSEDIGAGD 134 QGLMFGYATD144 ETEECMPLTI154 VLAHKLNAKL164 AELRRNGTLP174 WLRPDSKTQV 184 TVQYMQDRGA194 VLPIRVHTIV204 ISVQHDEEVC214 LDEMRDALKE224 KVIKAVVPAK 234 YLDEDTIYHL244 QPSGRFVIGG254 PDAGLTGRKI266 IVDTYGGWGA276 HGGGAFSGKD 286 YTKVDRSAAY296 AARWVAKSLV306 KGGLCRRVLV316 QVSYAIGVSH326 PLSISIFHYG 336 TSQKSERELL346 EIVKKNFDLR356 PGVIVRDLDL366 KKPIYQRTAA376 YGHFGRDSFP 386 WEVPKKLKY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8AJ or .8AJ2 or .8AJ3 or :38AJ;style chemicals stick;color identity;select .A:139 or .A:275 or .A:276 or .A:315 or .A:316 or .A:317 or .A:331 or .A:332 or .A:333 or .A:342; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N,N'-(dihydroxy-lambda~5~-phosphanediyl)bis(phosphoramidic acid) | Ligand Info | |||||
| Structure Description | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor, di-imido triphosphate (PNPNP) | PDB:7L1A | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [3] |
| PDB Sequence |
GTFLFTSESV
25 GEGHPDKICD35 QISDAVLDAH45 LQQDPDAKVA55 CETVAKTGMI65 LLAGEITSRA 75 AVDYQKVVRE85 AVKHIGYDDS95 SKGFDYKTCN105 VLVALEQQSP115 DIAQGVHLDR 125 NEEDIGAGDQ135 GLMFGYATDE145 TEECMPLTIV155 LAHKLNAKLA165 ELRRNGTLPW 175 LRPDSKTQVT185 VQYMQDRGAV195 LPIRVHTIVI205 SVQHDEEVCL215 DEMRDALKEK 225 VIKAVVPAKY235 LDEDTIYHLQ245 PSGRFVIGGP255 QGDAGLTGRK265 IIVDTYGGWG 275 AHGGGAFSGK285 DYTKVDRSAA295 YAARWVAKSL305 VKGGLCRRVL315 VQVSYAIGVS 325 HPLSISIFHY335 GTSQKSEREL345 LEIVKKNFDL355 RPGVIVRDLD365 LKKPIYQRTA 375 AYGHFGRDSF385 PWEVPKKLKY395
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XE1 or .XE12 or .XE13 or :3XE1;style chemicals stick;color identity;select .A:25 or .A:29 or .A:31 or .A:181 or .A:258 or .A:259 or .A:264 or .A:265; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 35 | PDB:7KDB | ||||
| Method | X-ray diffraction | Resolution | 1.24 Å | Mutation | No | [7] |
| PDB Sequence |
EGTFLFTSES
24 VGEGHPDKIC34 DQISDAVLDA44 HLQQDPDAKV54 ACETVAKTGM64 ILLAGEITSR 74 AAVDYQKVVR84 EAVKHIGYDD94 SSKGFDYKTC104 NVLVALEQQS114 PDIAQGVHLD 124 RNEEDIGAGD134 QGLMFGYATD144 ETEECMPLTI154 VLAHKLNAKL164 AELRRNGTLP 174 WLRPDSKTQV184 TVQYMQDRGA194 VLPIRVHTIV204 ISVQHDEEVC214 LDEMRDALKE 224 KVIKAVVPAK234 YLDEDTIYHL244 QPSGRFVIGG254 PQGDAGLTGR264 KIIVDTYGGW 274 GAHGGGAFSG284 KDYTKVDRSA294 AYAARWVAKS304 LVKGGLCRRV314 LVQVSYAIGV 324 SHPLSISIFH334 YGTSQKSERE344 LLEIVKKNFD354 LRPGVIVRDL364 DLKKPIYQRT 374 AAYGHFGRDS384 FPWEVPKKLK394 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WBS or .WBS2 or .WBS3 or :3WBS;style chemicals stick;color identity;select .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:273 or .A:274 or .A:275 or .A:276 or .A:313 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystallography captures catalytic steps in human methionine adenosyltransferase enzymes. Proc Natl Acad Sci U S A. 2016 Feb 23;113(8):2104-9. | ||||
| REF 2 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J Med Chem. 2022 Mar 24;65(6):4600-4615. | ||||
| REF 3 | Mechanism and Inhibition of Human Methionine Adenosyltransferase 2A. Biochemistry. 2021 Mar 16;60(10):791-801. | ||||
| REF 4 | S-adenosylmethionine synthetase | ||||
| REF 5 | Methionine Adenosyltransferase Engineering to Enable Bioorthogonal Platforms for AdoMet-Utilizing Enzymes. ACS Chem Biol. 2020 Mar 20;15(3):695-705. | ||||
| REF 6 | Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases. JACS Au. 2021 Nov 19;1(12):2349-2360. | ||||
| REF 7 | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J Med Chem. 2021 Apr 22;64(8):4430-4449. | ||||
| REF 8 | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J Med Chem. 2021 May 27;64(10):6814-6826. | ||||
| REF 9 | Targeting S-adenosylmethionine biosynthesis with a novel allosteric inhibitor of Mat2A. Nat Chem Biol. 2017 Jul;13(7):785-792. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.