Structure of PDB 2wzb Chain A Binding Site BS02

Receptor Information
>2wzb Chain A (length=405) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSNKLTLDKLDVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFCLD
NGAKSVVLMSHLGRPDGVPMPDKYSLEPVAVELKSLLGKDVLFLKDCVGP
EVEKACANPAAGSVILLENLRFHVEEEGKGEPAKIEAFRASLSKLGDVYV
NDAFGTAHRAHSSMVGVNLPQKAGGFLMKKELNYFAKALESPERPFLAIL
GGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEEG
AKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQATVASGIPAGWM
GLDCGPESSKKYAEAVTRAKQIVWNGPVGVFEWEAFARGTKALMDEVVKA
TSRGCITIIGGGDTATCCAKWNTEDKVSHVSTGGGASLELLEGKVLPGVD
ALSNI
Ligand information
Ligand IDMGF
InChIInChI=1S/3FH.Mg/h3*1H;/q;;;+2/p-3
InChIKeyGJOMWUHGUQLOAC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Mg-](F)F
FormulaF3 Mg
NameTRIFLUOROMAGNESATE
ChEMBL
DrugBank
ZINC
PDB chain2wzb Chain A Residue 1421 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wzb Transition State Analogue Structures of Human Phosphoglycerate Kinase Establish the Importance of Charge Balance in Catalysis.
Resolution1.47 Å
Binding residue
(original residue number in PDB)		K215 K219 G372 G395 G396
Binding residue
(residue number reindexed from 1)		K204 K208 G361 G384 G385
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R38 K215 G373 G396
Catalytic site (residue number reindexed from 1) R37 K204 G362 G385
Enzyme Commision number 2.7.2.3: phosphoglycerate kinase.
Gene Ontology
Molecular Function
GO:0004618 phosphoglycerate kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0043531 ADP binding
GO:0047134 protein-disulfide reductase (NAD(P)H) activity
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0016310 phosphorylation
GO:0016525 negative regulation of angiogenesis
GO:0030855 epithelial cell differentiation
GO:0031639 plasminogen activation
GO:0061621 canonical glycolysis
GO:0071456 cellular response to hypoxia
Cellular Component
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane
GO:0045121 membrane raft
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wzb, PDBe:2wzb, PDBj:2wzb
PDBsum2wzb
PubMed20397725
UniProtP00558|PGK1_HUMAN Phosphoglycerate kinase 1 (Gene Name=PGK1)

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