Structure of PDB 1gpm Chain A Binding Site BS02
Receptor Information
>1gpm Chain A (length=501) Species:
83333
(Escherichia coli K-12) [
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ENIHKHRILILDFGSQYTQLVARRVRELGVYCELWAWDVTEAQIRDFNPS
GIILSGGPESTTEENSPRAPQYVFEAGVPVFGVCYGMQTMAMQLGGHVEA
SNEREFGYAQVEVVNDSALVRGIEDALTADGKPLLDVWMSHGDKVTAIPS
DFITVASTESCPFAIMANEEKRFYGVQFHPEVTHTRQGMRMLERFVRDIC
QCEALWTPAKIIDDAVARIREQVGDDKVILGLSGGVDSSVTAMLLHRAIG
KNLTCVFVDNGLLRLNEAEQVLDMFGDHFGLNIVHVPAEDRFLSALAGEN
DPEAKRKIIGRVFVEVFDEEALKLEDVKWLAQGTIYPDVIESAAKMGLVE
PLKELFKDEVRKIGLELGLPYDMLYRHPFPGPGLGVRVLGEVKKEYCDLL
RRADAIFIEELRKADLYDKVSQAFTVFLPVRSVGVMGDGRKYDWVVSLRA
VETIDFMTAHWAHLPYDFLGRVSNRIINEVNGISRVVYDISGKPPATIEW
E
Ligand information
Ligand ID
AMP
InChI
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
UDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
Software
SMILES
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01
O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Formula
C10 H14 N5 O7 P
Name
ADENOSINE MONOPHOSPHATE
ChEMBL
CHEMBL752
DrugBank
DB00131
ZINC
ZINC000003860156
PDB chain
1gpm Chain A Residue 527 [
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Receptor-Ligand Complex Structure
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PDB
1gpm
The crystal structure of GMP synthetase reveals a novel catalytic triad and is a structural paradigm for two enzyme families.
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
G233 L234 S235 V260 F315
Binding residue
(residue number reindexed from 1)
G231 L232 S233 V258 F313
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
G59 C86 Y87 H181 E183 D239 K381
Catalytic site (residue number reindexed from 1)
G57 C84 Y85 H179 E181 D237 K357
Enzyme Commision number
6.3.5.2
: GMP synthase (glutamine-hydrolyzing).
Gene Ontology
Molecular Function
GO:0003921
GMP synthase activity
GO:0003922
GMP synthase (glutamine-hydrolyzing) activity
GO:0005524
ATP binding
GO:0016874
ligase activity
GO:0042802
identical protein binding
Biological Process
GO:0006164
purine nucleotide biosynthetic process
GO:0006177
GMP biosynthetic process
GO:0006541
glutamine metabolic process
GO:0046037
GMP metabolic process
Cellular Component
GO:0005829
cytosol
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1gpm
,
PDBe:1gpm
,
PDBj:1gpm
PDBsum
1gpm
PubMed
8548458
UniProt
P04079
|GUAA_ECOLI GMP synthase [glutamine-hydrolyzing] (Gene Name=guaA)
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