Structure of PDB 4jx5 Chain B Binding Site BS01

Receptor Information
>4jx5 Chain B (length=596) Species: 347834 (Rhizobium etli CFN 42) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRATKLLTYLADVTVNGHPEAKDRPKPLENAARPVVPYANGNGVKDGTKQ
LLDTLGPKKFGEWMRNEKRVLLTDTTMRDGHQSLLATRMRTYDIARIAGT
YSHALPNLLSLECWGGATFDVSMRFLTEDPWERLALIREGAPNLLLQMLL
RGANGVGYTNYPDNVVKYFVRQAAKGGIDLFRVFDCLNWVENMRVSMDAI
AEENKLCEAAICYTGDILNSARPKYDLKYYTNLAVELEKAGAHIIAVKDM
AGLLKPAAAKVLFKALREATGLPIHFHTHDTSGIAAATVLAAVEAGVDAV
DAAMDALSGNTSQPCLGSIVEALSGSERDPGLDPAWIRRISFYWEAVRNQ
YAAFESDLKGPASEVYLHEMPGGQFTNLKEQARSLGLETRWHQVAQAYAD
ANQMFGDIVKVTPSSKVVGDMALMMVSQDLTVADVVSPREVSFPESVVSM
LKGDLGQPPSGWPEALQKKALKGEKPYTVRPGSLLKEADLDAERKVIEKK
LEREVSDFEFASYLMYPKVFTDFALASDTYGPVSVLPTPAYFYGLADGEE
LFADIEKGKTLVIVNQAVSATDSQGMVTVFFELNGQPRRIKVPDRA
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 chain4jx5 Chain B Residue 1103 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jx5 A Substrate-induced Biotin Binding Pocket in the Carboxyltransferase Domain of Pyruvate Carboxylase.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		M534 R535 E537 D768
Binding residue
(residue number reindexed from 1)		M64 R65 E67 D298
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D549 D655 K718 H747 H749 T882
Catalytic site (residue number reindexed from 1) D79 D185 K248 H277 H279 T412
Enzyme Commision number 6.4.1.1: pyruvate carboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004736 pyruvate carboxylase activity
GO:0005524 ATP binding
Biological Process
GO:0006090 pyruvate metabolic process
GO:0006094 gluconeogenesis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4jx5, PDBe:4jx5, PDBj:4jx5
PDBsum4jx5
PubMed23698000
UniProtQ2K340

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