Structure of PDB 3acc Chain A Binding Site BS01
Receptor Information
>3acc Chain A (length=166) Species:
300852
(Thermus thermophilus HB8) [
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GMFTPGNGPVQISAEAIKKRVEELGGEIARDYQGKTPHLICVLNGAFIFM
ADLVRAIPLPLTMDFIAISSYLLKDLRLPIHGRDVIVVEDIVDTGLTLSY
LLDYLEARKPASVRVAALLSKPSRRQVEVPIHYLGFEIEDAYVYGYGLDR
AQFDRNLPFITSIRPE
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
3acc Chain A Residue 817 [
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Receptor-Ligand Complex Structure
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PDB
3acc
Structures of hypoxanthine-guanine phosphoribosyltransferase (TTHA0220) from Thermus thermophilus HB8.
Resolution
2.16 Å
Binding residue
(original residue number in PDB)
D103 I104 D106 T107 G108 T110 K134 Y155 V156
Binding residue
(residue number reindexed from 1)
D90 I91 D93 T94 G95 T97 K121 Y142 V143
Annotation score
2
Enzymatic activity
Catalytic site (original residue number in PDB)
E102 D103 D106 Y155 R168
Catalytic site (residue number reindexed from 1)
E89 D90 D93 Y142 R155
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:0046872
metal ion binding
GO:0052657
guanine phosphoribosyltransferase activity
Biological Process
GO:0006166
purine ribonucleoside salvage
GO:0006178
guanine salvage
GO:0032263
GMP salvage
GO:0032264
IMP salvage
GO:0046100
hypoxanthine metabolic process
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:3acc
,
PDBe:3acc
,
PDBj:3acc
PDBsum
3acc
PubMed
20693661
UniProt
Q5SLS3
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