Structure of PDB 1a97 Chain B Binding Site BS01
Receptor Information
>1a97 Chain B (length=148) Species:
562
(Escherichia coli) [
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EKYIVTWDMLQIHARKLASRLMPSEQWKGIIAVSRGGLVPGALLARELGI
RHVDTVAISSYDHDNQRELKVLKRAEGDGEGFIVIDDLVDTGGTAVAIRE
MYPKAHFVTIFAKPAGRPLVDDYVVDIPQDTWIEQPWDMGVVFVPPIS
Ligand information
Ligand ID
5GP
InChI
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey
RQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
Software
SMILES
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
Formula
C10 H14 N5 O8 P
Name
GUANOSINE-5'-MONOPHOSPHATE
ChEMBL
CHEMBL283807
DrugBank
DB01972
ZINC
ZINC000002159505
PDB chain
1a97 Chain B Residue 305 [
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Receptor-Ligand Complex Structure
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PDB
1a97
Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
R69 L90 D92 T93 T96 W134 I135
Binding residue
(residue number reindexed from 1)
R67 L88 D90 T91 T94 W132 I133
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
D88 D89 D92
Catalytic site (residue number reindexed from 1)
D86 D87 D90
Enzyme Commision number
2.4.2.-
2.4.2.22
: xanthine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0000310
xanthine phosphoribosyltransferase activity
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:0032263
GMP salvage
GO:0032264
IMP salvage
GO:0032265
XMP salvage
GO:0051289
protein homotetramerization
Cellular Component
GO:0005829
cytosol
GO:0005886
plasma membrane
GO:0032991
protein-containing complex
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1a97
,
PDBe:1a97
,
PDBj:1a97
PDBsum
1a97
PubMed
9743633
UniProt
P0A9M5
|XGPT_ECOLI Xanthine-guanine phosphoribosyltransferase (Gene Name=gpt)
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