Structure of PDB 4jx4 Chain A Binding Site BS01

Receptor Information

>4jx4 Chain A (length=597) Species: 347834 (Rhizobium etli CFN 42)

DRATKLLTYLADVTVNGHPEAKDRPKPLENAARPVVPYANGNGVKDGTKQ
LLDTLGPKKFGEWMRNEKRVLLTDTTMRDGHQSLLATRMRTYDIARIAGT
YSHALPNLLSLECWGGATFDVSMRFLTEDPWERLALIREGAPNLLLQMLL
RGANGVGYTNYPDNVVKYFVRQAAKGGIDLFRVFDCLNWVENMRVSMDAI
AEENKLCEAAICYTGDILNSARPKYDLKYYTNLAVELEKAGAHIIAVKDM
AGLLKPAAAKVLFKALREATGLPIHFHTHDTSGIAAATVLAAVEAGVDAV
DAAMDALSGNTSQPCLGSIVEALSGSERDPGLDPAWIRRISFYWEAVRNQ
YAAFESDLKGPASEVYLHEMPGGQFTNLKEQARSLGLETRWHQVAQAYAD
ANQMFGDIVKVTPSSKVVGDMALMMVSQDLTVADVVSPDREVSFPESVVS
MLKGDLGQPPSGWPEALQKKALKGEKPYTVRPGSLLKEADLDAERKVIEK
KLEREVSDFEFASYLMYPKVFTDFALASDTYGPVSVLPTPAYFYGLADGE
ELFADIEKGKTLVIVNQAVSATDSQGMVTVFFELNGQPRRIKVPDRA

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: 4jx4 Chain A Residue 1101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4jx4 A Substrate-induced Biotin Binding Pocket in the Carboxyltransferase Domain of Pyruvate Carboxylase.
• Resolution: 2.98 Å
• Binding residue (original residue number in PDB): D549 K718 H747 H749
• Binding residue (residue number reindexed from 1): D79 K248 H277 H279
• 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): 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

External links

• PDB: RCSB:4jx4, PDBe:4jx4, PDBj:4jx4
• PDBsum: 4jx4
• PubMed: 23698000
• UniProt: Q2K340