Structure of PDB 3hjb Chain B Binding Site BS01

Receptor Information
>3hjb Chain B (length=551) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMLKNINPTQTQAWKALTAHFESAQDMDLKALFAQDSERFAKYSARFGQD
ILVDYSKNLVNAETMQHLFALAKETDLQSAITAMFKGEAINQTEDRAVLH
TALRNRSNSPVLVNGEDVMPAVNAVLAKMKAFSERVIGGEWKGFTGKAIT
DVVNIGIGGSDLGPYMVTEALVPYKNHLTVHFVSNVDGTHMAETLKNVDP
ETTLFLVASKTFTTQETMTNAHTARDWFLKAAGDEAHVAKHFAALSTNGK
AVAEFGIDTDNMFEFWDWVGGRYSLWSAIGLSIILSIGYDNFVELLAGAH
EMDQHFVNTPFESNIPVILALIGIWYNNFHGAESEAILPYDQYLHRFAAY
FQQGNMESNGKYVDRNGNPVTYQTGPIIWGEPGTNGQHAFYQLIHQGTKL
IPCDFIAPAVSHNLVGDHHQKLMSNFFAQTEALAFGKSAQAVQAELEKAG
KSAAEIAALVPFKVFEGNRPTNSILVKQITPRTLGNLIAMYEHKIFVQGV
IWNIFSFDQWGVELGKQLANQILPELADSAAVTSHDSSTNGLINAFKAFR
A
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 chain3hjb Chain A Residue 554 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hjb 1.5 Angstrom Crystal Structure of Glucose-6-phosphate Isomerase from Vibrio cholerae.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G330 E332
Binding residue
(residue number reindexed from 1)		G331 E333
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K14 K209 E215 G270 R271 E356 H387 K515
Catalytic site (residue number reindexed from 1) K15 K210 E216 G271 R272 E357 H388 K516
Enzyme Commision number 5.3.1.9: glucose-6-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004347 glucose-6-phosphate isomerase activity
GO:0016853 isomerase activity
GO:0048029 monosaccharide binding
GO:0097367 carbohydrate derivative binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0051156 glucose 6-phosphate metabolic process
GO:1901135 carbohydrate derivative metabolic process
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:3hjb, PDBe:3hjb, PDBj:3hjb
PDBsum3hjb
PubMed
UniProtQ9KUY4|G6PI_VIBCH Glucose-6-phosphate isomerase (Gene Name=pgi)

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