Structure of PDB 3tqp Chain B Binding Site BS01

Receptor Information
>3tqp Chain B (length=404) Species: 777 (Coxiella burnetii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TATITDINAHEILDSRANPTLEVRVTLSSQAYGCAAVPSREAVELRDNDL
ERYGGKGVLQAVENVNGPIRDALLGQDPRSQEEIDRIMIELDGTENKANL
GANAILGVSLAVAYAAANNADLPLYRYLGGDGGPFSMPVPMMNIINGNFQ
EFMIVPVGAPTFAEALRYGAEVFHALKKRLVSRGLMSAVGDEGGFAPLPN
NEAAFELILEAIEDANYVPGKDIYLALDAASSELYGYDNNQLTSEEMIDR
LTEWTKKYPVISIEDGLSENDWAGWKLLTERLENKVQLVGDDIFVTNPDI
LEKGIKKNIANAILVKLNQIGTLTETLATVGLAKSNKYGVIISHRSGETE
DTTIADLAVATDARQIKTGSLCRSDRVAKYNRLLQIERELNDQAPYAGKE
AFLF
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 chain3tqp Chain B Residue 430 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tqp Structural genomics for drug design against the pathogen Coxiella burnetii.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D244 E285 D312
Binding residue
(residue number reindexed from 1)		D228 E264 D291
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E166 E207 D244 E285 D312 K337 H365 K388
Catalytic site (residue number reindexed from 1) E151 E192 D228 E264 D291 K316 H344 K367
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:3tqp, PDBe:3tqp, PDBj:3tqp
PDBsum3tqp
PubMed26033498
UniProtQ83B44|ENO_COXBU Enolase (Gene Name=eno)

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