Structure of PDB 4ga4 Chain A Binding Site BS01

Receptor Information
>4ga4 Chain A (length=418) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PESVRYIKKKMHGEKLRKVEIEAIVRDIVDRKLRDIEISSFVTALEINGL
DMDEIAALTIAMAETGDMLDIDRKPIMDVHSIGGVPGNKTNILVVPIVAA
AGLTIPKTSSRAITSAAGTADVVEVFADVSFSLDEIKRIVEKVGACLVWG
GALNLAPADDITIKAERALSIDPTGLMLASIMSKKYAMGSQYVLIDIPTG
KGVKVETVEEARSLARDFIELGKRLGQYVEVAITYGGQPIGHTVGPALEA
REALSALMTGKGPGSLIEKATGLAGILLEMGGVAPAGTGKKMAKEILESG
KAWEKMKEIIEAQGGDPNIKPEEIPIGDKTYTFTAATSGYVTAIDNRAIT
AIARAAGAPEDKGAGIELYVKVGEKVKEGDPLFTIHAEHEARLDQAIVLA
RRTEPIRIEGMVLQRIGN
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 chain4ga4 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ga4 Structure analysis of archaeal AMP phosphorylase reveals two unique modes of dimerization
Resolution3.51 Å
Binding residue
(original residue number in PDB)		H164 S165 N175
Binding residue
(residue number reindexed from 1)		H80 S81 N91
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D162 V163 H164 S165 T203 D243 A249 S264 K268 K269
Catalytic site (residue number reindexed from 1) D78 V79 H80 S81 T119 D159 A165 S180 K184 K185
Enzyme Commision number 2.4.2.57: AMP phosphorylase.
Gene Ontology
Molecular Function
GO:0004645 1,4-alpha-oligoglucan phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
Biological Process
GO:0006206 pyrimidine nucleobase metabolic process
GO:0006213 pyrimidine nucleoside metabolic process
GO:0046125 pyrimidine deoxyribonucleoside metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4ga4, PDBe:4ga4, PDBj:4ga4
PDBsum4ga4
PubMed23659790
UniProtQ5JCX3|AMPPA_THEKO AMP phosphorylase (Gene Name=deoA)

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