Structure of PDB 5ipf Chain C Binding Site BS01
Receptor Information
>5ipf Chain C (length=186) Species:
6183
(Schistosoma mansoni) [
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DCVVIEDSFRGFPTEYFCTSPRYDECLDYVLIPNGMIKDRLEKMSMNIVD
YYEACNATSITLMCVLKGGFKFLADLVDGLERTVRARGIVLPMSVEFEYK
DKNVLVVEDIITGKTITKLISHLDSLSTKSVKVASLLVKRDYRPDFVGFE
VPNRFVVGYALDYNDNFRDLHHICVINEVGQKKFSV
Ligand information
Ligand ID
IMP
InChI
InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
GRSZFWQUAKGDAV-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.5
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O
ACDLabs 10.04
O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.7.5
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O
CACTVS 3.385
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
Formula
C10 H13 N4 O8 P
Name
INOSINIC ACID
ChEMBL
CHEMBL1207374
DrugBank
DB04566
ZINC
ZINC000004228242
PDB chain
5ipf Chain C Residue 1300 [
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Receptor-Ligand Complex Structure
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PDB
5ipf
In vitro and in vivo characterization of the multiple isoforms of Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferases.
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
D141 I142 I143 T145 G146 T148 F193 V194 D200
Binding residue
(residue number reindexed from 1)
D109 I110 I111 T112 G113 T115 F155 V156 D162
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
E140 D141 F193 R206
Catalytic site (residue number reindexed from 1)
E108 D109 F155 R168
Enzyme Commision number
2.4.2.8
: hypoxanthine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0004422
hypoxanthine phosphoribosyltransferase activity
Biological Process
GO:0006166
purine ribonucleoside salvage
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:5ipf
,
PDBe:5ipf
,
PDBj:5ipf
PDBsum
5ipf
PubMed
30772423
UniProt
P09383
|HPRT_SCHMA Hypoxanthine-guanine phosphoribosyltransferase (Gene Name=HGPRT)
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