Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T89054 | Target Info | |||
| Target Name | Plasmodium Adenylosuccinate synthetase (Malaria Adss) | ||||
| Synonyms | IMP--aspartate ligase; Adenylosuccinate synthase; AdSS; AMPSase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | Malaria Adss | ||||
| Biochemical Class | Carbon-nitrogen ligase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 6-Cl-IMP | Ligand Info | |||||
| Structure Description | Structure of fully ligated Adenylosuccinate synthetase from Plasmodium falciparum | PDB:1P9B | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
GNVVAILGAQ
23 WGDEGKGKII33 DMLSEYSDIT43 CRFNGGANAG53 HTISVNDKKY63 ALHLLPCGVL 73 YDNNISVLGN83 GMVIHVKSLM93 EEIESVGGKL103 LDRLYLSNKA113 HILFDIHQII 123 DSIQETKKLK133 EGKQIGTTKR143 GIGPCYSTKA153 SRIGIRLGTL163 KNFENFKNMY 173 SKLIDHLMDL183 YNITEYDKEK193 ELNLFYNYHI203 KLRDRIVDVI213 SFMNTNLENN 223 KKVLIEGANA233 AMLDIDFGTY243 PYVTSSCTTV253 GGVFSGLGIH263 HKKLNLVVGV 273 VKSYLTRVGC283 GPFLTELNND293 VGQYLREKGH303 EYGTTTKRPR313 RCGWLDIPML 323 LYVKCINSID333 MINLTKLDVL343 SGLEEILLCV353 NFKNKKTGEL363 LEKGCYPVEE 373 EISEEYEPVY383 EKFSGWKEDI393 STCNEFDELP403 ENAKKYILAI413 EKYLKTPIVW 423 IGVGPNRKNM433 IVKK
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| Ligand Name: 6-O-Phosphoryl Inosine Monophosphate | Ligand Info | |||||
| Structure Description | Structure of fully ligated Adenylosuccinate synthetase from Plasmodium falciparum | PDB:1P9B | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
GNVVAILGAQ
23 WGDEGKGKII33 DMLSEYSDIT43 CRFNGGANAG53 HTISVNDKKY63 ALHLLPCGVL 73 YDNNISVLGN83 GMVIHVKSLM93 EEIESVGGKL103 LDRLYLSNKA113 HILFDIHQII 123 DSIQETKKLK133 EGKQIGTTKR143 GIGPCYSTKA153 SRIGIRLGTL163 KNFENFKNMY 173 SKLIDHLMDL183 YNITEYDKEK193 ELNLFYNYHI203 KLRDRIVDVI213 SFMNTNLENN 223 KKVLIEGANA233 AMLDIDFGTY243 PYVTSSCTTV253 GGVFSGLGIH263 HKKLNLVVGV 273 VKSYLTRVGC283 GPFLTELNND293 VGQYLREKGH303 EYGTTTKRPR313 RCGWLDIPML 323 LYVKCINSID333 MINLTKLDVL343 SGLEEILLCV353 NFKNKKTGEL363 LEKGCYPVEE 373 EISEEYEPVY383 EKFSGWKEDI393 STCNEFDELP403 ENAKKYILAI413 EKYLKTPIVW 423 IGVGPNRKNM433 IVKK
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TRP24
3.366
GLY25
3.261
ASP26
2.908
GLU27
4.489
LYS29
2.800
ASN51
2.863
ALA52
3.256
GLY53
2.812
HIS54
2.536
ASP124
4.779
ILE138
4.021
GLY139
3.182
THR140
3.214
THR141
2.703
LYS142
4.210
|
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| Ligand Name: Guanosine-5'-Diphosphate | Ligand Info | |||||
| Structure Description | Structure of fully ligated Adenylosuccinate synthetase from Plasmodium falciparum | PDB:1P9B | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
GNVVAILGAQ
23 WGDEGKGKII33 DMLSEYSDIT43 CRFNGGANAG53 HTISVNDKKY63 ALHLLPCGVL 73 YDNNISVLGN83 GMVIHVKSLM93 EEIESVGGKL103 LDRLYLSNKA113 HILFDIHQII 123 DSIQETKKLK133 EGKQIGTTKR143 GIGPCYSTKA153 SRIGIRLGTL163 KNFENFKNMY 173 SKLIDHLMDL183 YNITEYDKEK193 ELNLFYNYHI203 KLRDRIVDVI213 SFMNTNLENN 223 KKVLIEGANA233 AMLDIDFGTY243 PYVTSSCTTV253 GGVFSGLGIH263 HKKLNLVVGV 273 VKSYLTRVGC283 GPFLTELNND293 VGQYLREKGH303 EYGTTTKRPR313 RCGWLDIPML 323 LYVKCINSID333 MINLTKLDVL343 SGLEEILLCV353 NFKNKKTGEL363 LEKGCYPVEE 373 EISEEYEPVY383 EKFSGWKEDI393 STCNEFDELP403 ENAKKYILAI413 EKYLKTPIVW 423 IGVGPNRKNM433 IVKK
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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 .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:25 or .A:26 or .A:27 or .A:28 or .A:29 or .A:30 or .A:31 or .A:53 or .A:54 or .A:55 or .A:57 or .A:62 or .A:302 or .A:307 or .A:313 or .A:338 or .A:339 or .A:340 or .A:341 or .A:342 or .A:425 or .A:426 or .A:427 or .A:428 or .A:432; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY25
4.898
ASP26
3.061
GLU27
3.190
GLY28
2.779
LYS29
2.558
GLY30
2.932
LYS31
3.245
GLY53
2.761
HIS54
3.014
THR55
2.924
SER57
4.751
LYS62
2.837
GLY302
4.886
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of fully ligated adenylosuccinate synthetase from Plasmodium falciparum. J Mol Biol. 2004 Jan 30;335(5):1251-64. | ||||
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