Structure of PDB 1zmr Chain A Binding Site BS01

Receptor Information
>1zmr Chain A (length=386) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVIKMTDLDLAGKRVFIRADLNVPVKDGKVTSDARIRASLPTIELALKQG
AKVMVTSHLGRPTEGEYNEEFSLLPVVNYLKDKLSNPVRLVKDYLDGVDV
AEGELVVLENVRFNKGEKKDDETLSKKYAALCDVFVMDAFGTAHRAQAST
HGIGKFADVACAGPLLAAELDALGKALKEPARPMVAIVGGSKVSTKLTVL
DSLSKIADQLIVGGGIANTFIAAQGHDVGKSLYEADLVDEAKRLLTTCNI
PVPSDVRVATEFSETAPATLKSVNDVKADEQILDIGDASAQELAEILKNA
KTILWNGPVGVFEFPNFRKGTEIVANAIADSEAFSIAGGGDTLAAIDLFG
IADKISYISTGGGAFLEFVEGKVLPAVAMLEERAKK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1zmr Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zmr Comparison of proteolytic susceptibility in phosphoglycerate kinases from yeast and E. coli: modulation of conformational ensembles without altering structure or stability.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D237 D240
Binding residue
(residue number reindexed from 1)		D236 D239
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R36 K193 G341 G364
Catalytic site (residue number reindexed from 1) R35 K192 G340 G363
Enzyme Commision number 2.7.2.3: phosphoglycerate kinase.
Gene Ontology
Molecular Function
GO:0004618 phosphoglycerate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0043531 ADP binding
GO:0097216 guanosine tetraphosphate binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0016310 phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1zmr, PDBe:1zmr, PDBj:1zmr
PDBsum1zmr
PubMed17397866
UniProtP0A799|PGK_ECOLI Phosphoglycerate kinase (Gene Name=pgk)

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