Structure of PDB 4jx6 Chain C Binding Site BS01

Receptor Information

>4jx6 Chain C (length=588) Species: 347834 (Rhizobium etli CFN 42)

DRATKLLTYLADVTVNGHPEAKDRPKPLENARPVVPYANGNGVKDGTKQL
LDTLGPKKFGEWMRNEKRVLLTDTTMRDGHQSLLATRMRTYDIARIAGTY
SHALPNLLSLECWGGATFDVSMRFLTEDPWERLALIREGAPNLLLQMLLR
GANGVGATNYPDNVVKYFVRQAAKGGIDLFRVFDCLNWVENMRVSMDAIA
EENKLCEAAICYTGDILNSARPKYDLKYYTNLAVELEKAGAHIIAVKDMA
GLLKPAAAKVLFKALREATGLPIHFHTHDTSGIAAATVLAAVEAGVDAVD
AAMDALSGNTSQPCLGSIVEALSGSERDPGLDPAWIRRISFYWEAVRNQY
AAFESDLKGPASEVYLHEMPGGQFTNLKEQARSLGLETRWHQVAQAYADA
NQMFGDIVKVTPSSKVVGDMALMMVSQDLTVADVVPESVVSMLKGDLGQP
PSGWPEALQKKALKGEKPYTVRPGSLLKEADLDAERKVIEKKLEREVSDF
EFASYLMYPKVFTDFALASDTYGPVSVLPTPAYFYGLADGEELFADIEKG
KTLVIVNQAVSATDSQGMVTVFFELNGQPRRIKVPDRA

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4jx6 Chain C Residue 1102

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4jx6 A Substrate-induced Biotin Binding Pocket in the Carboxyltransferase Domain of Pyruvate Carboxylase.
• Resolution: 2.78 Å
• Binding residue (original residue number in PDB): D549 K718 H747 H749
• Binding residue (residue number reindexed from 1): D78 K247 H276 H278
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D549 D655 K718 H747 H749 T882
• Catalytic site (residue number reindexed from 1): D78 D184 K247 H276 H278 T411
• 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

External links

• PDB: RCSB:4jx6, PDBe:4jx6, PDBj:4jx6
• PDBsum: 4jx6
• PubMed: 23698000
• UniProt: Q2K340