Structure of PDB 1g9s Chain A Binding Site BS01
Receptor Information
>1g9s Chain A (length=169) Species:
562
(Escherichia coli) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
MKHTVEVMIPEAEIKARIAELGRQITERYKDSGSDMVLVGLLRGSFMFMA
DLCREVQVSHEVDFMTASSRDLKILKDLDEDIRGKDVLIVEDIIDSGNTL
SKVREILSLREPKSLAICTLLDKPSRREVNVPVEFIGFSIPDEFVVGYGI
DYAQRYRHLPYIGKVILLD
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
1g9s Chain A Residue 190 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
1g9s
Crystal structures of free, IMP-, and GMP-bound Escherichia coli hypoxanthine phosphoribosyltransferase.
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
E103 I105 D107 S108 G109 N110 T111 L112 F156
Binding residue
(residue number reindexed from 1)
E91 I93 D95 S96 G97 N98 T99 L100 F144
Annotation score
4
Binding affinity
PDBbind-CN
: -logKd/Ki=3.61,Ki=247uM
Enzymatic activity
Enzyme Commision number
2.4.2.8
: hypoxanthine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000166
nucleotide binding
GO:0000287
magnesium ion binding
GO:0004422
hypoxanthine phosphoribosyltransferase activity
GO:0016757
glycosyltransferase activity
GO:0042802
identical protein binding
GO:0046872
metal ion binding
GO:0052657
guanine phosphoribosyltransferase activity
GO:0097216
guanosine tetraphosphate binding
Biological Process
GO:0006166
purine ribonucleoside salvage
GO:0006178
guanine salvage
GO:0032263
GMP salvage
GO:0032264
IMP salvage
GO:0046100
hypoxanthine metabolic process
GO:0051289
protein homotetramerization
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0032991
protein-containing complex
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1g9s
,
PDBe:1g9s
,
PDBj:1g9s
PDBsum
1g9s
PubMed
12070315
UniProt
P0A9M2
|HPRT_ECOLI Hypoxanthine phosphoribosyltransferase (Gene Name=hpt)
[
Back to BioLiP
]