Structure of PDB 1a96 Chain C Binding Site BS01
Receptor Information
>1a96 Chain C (length=150) Species:
562
(Escherichia coli) [
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EKYIVTWDMLQIHARKLASRLMPSEQWKGIIAVSRGGLVPGALLARELGI
RHVDTVCISSYDHDNQRELKVLKRAEGDGEGFIVIDDLVDTGGTAVAIRE
MYPKAHFVTIFAKPAGRPLVDDYVVDIPQDTWIEQPWDMGVVFVPPISGR
Ligand information
Ligand ID
PCP
InChI
InChI=1S/C6H15O13P3/c7-5-3(2-17-20(9,10)11)1-4(6(5)8)18-22(15,16)19-21(12,13)14/h3-8H,1-2H2,(H,15,16)(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+/m1/s1
InChIKey
OICBXEWBKALHHB-MOJAZDJTSA-N
SMILES
Software
SMILES
CACTVS 3.341
O[C@H]1[C@@H](O)[C@H](C[C@@H]1CO[P](O)(O)=O)O[P@@](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0
C1C(C(C(C1OP(=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0
C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O
CACTVS 3.341
O[CH]1[CH](O)[CH](C[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04
O=P(OC1CC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
Formula
C6 H15 O13 P3
Name
1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE;
CARBOXYLIC PRPP;
CPRPP
ChEMBL
DrugBank
DB03942
ZINC
ZINC000012504044
PDB chain
1a96 Chain C Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
1a96
Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
R37 R69 D88 D89 L90 D92 T93 G95 T96
Binding residue
(residue number reindexed from 1)
R35 R67 D86 D87 L88 D90 T91 G93 T94
Annotation score
2
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:1a96
,
PDBe:1a96
,
PDBj:1a96
PDBsum
1a96
PubMed
9743633
UniProt
P0A9M5
|XGPT_ECOLI Xanthine-guanine phosphoribosyltransferase (Gene Name=gpt)
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