Structure of PDB 4mfe Chain B Binding Site BS02

Receptor Information
>4mfe Chain B (length=594) 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
GDLGQPPSGWPEALQKKALKGEKPYTVRPGSLLKEADLDAERKVIEKKLE
REVSDFEFASYLMYPKVFTDFALASDTYGPVSVLPTPAYFYGLADGEELF
ADIEKGKTLVIVNQAVSATDSQGMVTVFFELNGQPRRIKVPDRA
Ligand information
Ligand ID3PY
InChIInChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
InChIKeyHHDDCCUIIUWNGJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CO
CACTVS 3.341OCC(=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)O
FormulaC3 H4 O4
Name3-HYDROXYPYRUVIC ACID
ChEMBLCHEMBL1230192
DrugBankDB02951
ZINCZINC000001532558
PDB chain4mfe Chain B Residue 1102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4mfe Insights into the carboxyltransferase reaction of pyruvate carboxylase from the structures of bound product and intermediate analogs.
Resolution2.61 Å
Binding residue
(original residue number in PDB)		R548 Q552 G586 L619 R621 K718 T882
Binding residue
(residue number reindexed from 1)		R75 Q79 G113 L146 R148 K245 T409
Annotation score2
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:4mfe, PDBe:4mfe, PDBj:4mfe
PDBsum4mfe
PubMed24157795
UniProtQ2K340

[Back to BioLiP]