Structure of PDB 4jx5 Chain C Binding Site BS03

Receptor Information
>4jx5 Chain C (length=591) Species: 347834 (Rhizobium etli CFN 42) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRATKLLTYLADVTVNGHPEAKDRPKPLENRPVVPYGNGVKDGTKQLLDT
LGPKKFGEWMRNEKRVLLTDTTMRDGHQSLLATRMRTYDIARIAGTYSHA
LPNLLSLECWGGATFDVSMRFLTEDPWERLALIREGAPNLLLQMLLRGAN
GVGYTNYPDNVVKYFVRQAAKGGIDLFRVFDCLNWVENMRVSMDAIAEEN
KLCEAAICYTGDILNSARPKYDLKYYTNLAVELEKAGAHIIAVKDMAGLL
KPAAAKVLFKALREATGLPIHFHTHDTSGIAAATVLAAVEAGVDAVDAAM
DALSGNTSQPCLGSIVEALSGSERDPGLDPAWIRRISFYWEAVRNQYAAF
ESDLKGPASEVYLHEMPGGQFTNLKEQARSLGLETRWHQVAQAYADANQM
FGDIVKVTPSSKVVGDMALMMVSQDLTVADVVSPDREFPESVVSMLKGDL
GQPPSGWPEALQKKALKGEKPYTVRPGSLLKEADLDAERKVIEKKLEREV
SDFEFASYLMYPKVFTDFALASDTYGPVSVLPTPAYFYGLADGEELFADI
EKGKTLVIVNQAVSATDSQGMVTVFFELNGQPRRIKVPDRA
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain4jx5 Chain C Residue 1105 [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)		R548 Q552 L619 R621 K718 T882
Binding residue
(residue number reindexed from 1)		R74 Q78 L145 R147 K244 T408
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D549 D655 K718 H747 H749 T882
Catalytic site (residue number reindexed from 1) D75 D181 K244 H273 H275 T408
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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