Structure of PDB 4ng4 Chain A Binding Site BS01

Receptor Information
>4ng4 Chain A (length=384) Species: 227377 (Coxiella burnetii RSA 493) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PFLSMSNLNLHNKRVMIREDLNVPMKNGKITNDERIVRALPTIQKAIEQK
ARVMILSHLGRPEEGKFEKEFSLAPVARLLSKKPLINDWLKGVAVEPGQA
ILCENVRFNKGENENNTELAKRMAELCDIFVMDAFATAHRAQASTAGVAA
YAKLACAGPLLISEVEALSRALENPQKPLVAVVGGSKVSTKIHLLENLLD
KVDQLIVGGGIANTFLKAQGYSIGKSLCENEWLDAAQQFWEKAAEKNVSL
PLPVDVIVADELSEDAKATVKNIDAVTSNESIFDVGPNTSATYAKLMAQA
GTIVWNGPIGVFEIEAFSQGTRALAQAVAKSTAYSIVGGGDTLAALDKFN
LTDQMSYVSTAGGAFLEFLEGKLPAIKILTQRAK
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 chain4ng4 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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PDB4ng4 Structural genomics for drug design against the pathogen Coxiella burnetii.
Resolution2.78 Å
Binding residue
(original residue number in PDB)		D293 G319 F326 S327 T330
Binding residue
(residue number reindexed from 1)		D284 G310 F317 S318 T321
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R39 K196 G349 G372
Catalytic site (residue number reindexed from 1) R35 K187 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
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:4ng4, PDBe:4ng4, PDBj:4ng4
PDBsum4ng4
PubMed26033498
UniProtQ83AU6|PGK_COXBU Phosphoglycerate kinase (Gene Name=pgk)

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