Structure of PDB 2yw2 Chain A Binding Site BS01

Receptor Information
>2yw2 Chain A (length=423) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVLVVGNGGREHAIAWKVAQSPLVKELYVAKGNAGIWEIAKRVDISPTD
VEKLAEFAKNEGVDFTIVGPEAPLVEGIVDEFEKRGLKIFGPNKEAAKLE
GSKAFAKTFMKKYGIPTARYEVFTDFEKAKEYVEKVGAPIVVKADGLAAG
KGAVVCETVEKAIETLDRFLNKKIFGKSSERVVIEEFLEGEEASYIVMIN
GDRYVPLPTSQDHKRLLDEDKGPNTGGMGAYSPTPVINEEVEKRIREEIV
ERVIKGLKEEGIYYRGFLYAGLMITKEGPKVLEFNVRLGDPEAQPILMRV
KNDFLETLLNFYEGKDVHIKEDERYALDVVLASRGYPEKPETGKIIHGLD
YLKSMEDVVVFHAGTKKEGNFTVTSGGRVLNVCAYGKTLKEAKERAYEAI
RYVCFEGMHYRKDIGDKAFKYLS
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain2yw2 Chain A Residue 645 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yw2 Crystal structures of glycinamide ribonucleotide synthetase, PurD, from thermophilic eubacteria
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R11 E71 R287
Binding residue
(residue number reindexed from 1)		R11 E71 R287
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.4.13: phosphoribosylamine--glycine ligase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004637 phosphoribosylamine-glycine ligase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
GO:0009113 purine nucleobase biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2yw2, PDBe:2yw2, PDBj:2yw2
PDBsum2yw2
PubMed20716513
UniProtO66949|PUR2_AQUAE Phosphoribosylamine--glycine ligase (Gene Name=purD)

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