Structure of PDB 4m6v Chain D Binding Site BS03

Receptor Information
>4m6v Chain D (length=593) Species: 347834 (Rhizobium etli CFN 42) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRATKLLTYLADVTVNGHPEAKDRPKPLENAARPVVPYAGVKDGTKQLLD
TLGPKKFGEWMRNEKRVLLTDTTMRDGHQSLLATRMRTYDIARIAGTYSH
ALPNLLSLECWGGATFDVSMRFLTEDPWERLALIREGAPNLLLQMLLRGA
NGVGYTNYPDNVVKYFVRQAAKGGIDLFRVFDCLNWVENMRVSMDAIAEE
NKLCEAAICYTGDILNSARPKYDLKYYTNLAVELEKAGAHIIAVKDMAGL
LKPAAAKVLFKALREATGLPIHFHTHDTSGIAAATVLAAVEAGVDAVDAA
MDALSGNTSQPCLGSIVEALSGSERDPGLDPAWIRRISFYWEAVRNQYAA
FESDLKGPASEVYLHEMPGGQFTNLKEQARSLGLETRWHQVAQAYADANQ
MFGDIVKVTPSSKVVGDMALMMVSQDLTVADVVSPDREVSFPESVVSMLK
GDLGQPPSGWPEALQKKALKEKPYTVRPGSLLKEADLDAERKVIEKKLER
EVSDFEFASYLMYPKVFTDFALASDTYGPVSVLPTPAYFYGLADGEELFA
DIEKGKTLVIVNQAVSATDSQGMVTVFFELNGQPRRIKVPDRA
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 chain4m6v Chain D Residue 1104 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4m6v The role of biotin and oxamate in the carboxyltransferase reaction of pyruvate carboxylase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Q552 L619 R621 K718 T882
Binding residue
(residue number reindexed from 1)		Q79 L146 R148 K245 T409
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D549 D655 K718 H747 H749 T882
Catalytic site (residue number reindexed from 1) D76 D182 K245 H274 H276 T409
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:4m6v, PDBe:4m6v, PDBj:4m6v
PDBsum4m6v
PubMed25157442
UniProtQ2K340

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