Structure of PDB 6npf Chain E Binding Site BS01

Receptor Information
>6npf Chain E (length=426) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQMGRGSMSKIVKIIGREIIDSRGNPTVEAEVHLEGGFVGMAAAPSGAST
GSREALELRDGDKSRFLGKGVTKAVAAVNGPIAQALIGKDAKDQAGIDKI
MIDLDGTENKSKFGANAILAVSLANAKAAAAAKGMPLYEHIAELNGTPGK
YSMPVPMMNIINGDIQEFMIQPVGAKTVKEAIRMGSEVFHHLAKVLKAKG
MNTAVGDEGGYAPNLGSNAEALAVIAEAVKAAGYELGKDITLAMDCAASE
FYKDGKYVLANKFTSEEFTHFLEELTKQYPIVSIEDGLDESDWDGFAYQT
KVLGDKIQLVGDDLFVTNTKILKEGIEKGIANSILIKFNQIGSLTETLAA
IKMAKDAGYTAVISHRSGETEDATIADLAVGTAAGQIKTGSMSRSDRVAK
YNQLIRIEEALGEKAPYNGRKEIKGQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6npf Chain E Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6npf Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Resolution2.57 Å
Binding residue
(original residue number in PDB)		D245 E289 D316
Binding residue
(residue number reindexed from 1)		D245 E285 D312
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S41 E167 E208 D245 E289 D316 K341 H369 K392
Catalytic site (residue number reindexed from 1) S49 E167 E208 D245 E285 D312 K337 H365 K388
Enzyme Commision number 4.2.1.11: phosphopyruvate hydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004634 phosphopyruvate hydratase activity
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006096 glycolytic process
GO:0006396 RNA processing
GO:0006401 RNA catabolic process
Cellular Component
GO:0000015 phosphopyruvate hydratase complex
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0009986 cell surface
GO:0016020 membrane
GO:1990061 bacterial degradosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6npf, PDBe:6npf, PDBj:6npf
PDBsum6npf
PubMed31745118
UniProtP0A6P9|ENO_ECOLI Enolase (Gene Name=eno)

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