Structure of PDB 4rop Chain A Binding Site BS01

Receptor Information
>4rop Chain A (length=424) Species: 1140 (Synechococcus elongatus PCC 7942 = FACHB-805) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YGTQIAEITAREILDSRGRPTVEAEVHLEDGSVGLAQVPSGASTGTFEAH
ELRDDDPSRYGGKGVQKAVENVSAIEDALIGLSALDQEGLDKAMIALDGT
PNKKNLGANAILAVSLATAHAAATSLNLPLYRYLGGPLANVLPVPMMNVI
NGGAHADNNVDFQEFMIMPVGAPSFKEALRWGAEVFHALAKVLKDKGLAT
GVGDEGGFAPNLGSNKEALELLLTAIEAAGYKPGEQVALAMDVASSEFYK
NGLYTCDGVSHEPAGMIGILADLVSQYPIVSIEDGLQEDDWSNWKTLTQQ
LGSTVQLVGDDLFVTNPDRLQSGIEQGVGNAVLIKLNQIGTLTETLRTID
LATRSGYRSVISHRSGETEDTTIADLAVATRAGQIKTGSLSRSERIAKYN
RLLRIEAALGENALYAGAIGLGPK
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 chain4rop Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rop The structure of Synechococcus elongatus enolase reveals key aspects of phosphoenolpyruvate binding
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D246 E287 D314
Binding residue
(residue number reindexed from 1)		D242 E283 D310
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S47 H159 E168 E209 D246 E287 D314 K339 H367 K390
Catalytic site (residue number reindexed from 1) S43 H155 E164 E205 D242 E283 D310 K335 H363 K386
Enzyme Commision number 4.2.1.11: phosphopyruvate hydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004634 phosphopyruvate hydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006096 glycolytic process
Cellular Component
GO:0000015 phosphopyruvate hydratase complex
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0009986 cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4rop, PDBe:4rop, PDBj:4rop
PDBsum4rop
PubMed
UniProtQ31QJ8|ENO_SYNE7 Enolase (Gene Name=eno)

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