Structure of PDB 1k6d Chain B Binding Site BS01

Receptor Information

>1k6d Chain B (length=219) Species: 562 (Escherichia coli)

MKTKLMTLQDATGFFRDGMTIMVGGFMGIGTPSRLVEALLESGVRDLTLI
ANDTAFVDTGIGPLIVNGRVRKVIASHIGTNPETGRRMISGEMDVVLVPQ
GTLIEQIRCGGAGLGGFLTPTGVGTVVEEGKQTLTLDGKTWLLERPLRAD
LALIRAHRCDTLGNLTYQLSARNFNPLIALAADITLVEPDELVETGELQP
DHIVTPGAVIDHIIVSQES

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 1k6d Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1k6d Autotracing of Escherichia coli acetate CoA-transferase alpha-subunit structure using 3.4 A MAD and 1.9 A native data.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): M27 H77 I78 T80
• Binding residue (residue number reindexed from 1): M27 H77 I78 T80
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.8.3.8: acetate CoA-transferase.

Gene Ontology

Molecular Function

• GO:0008410 CoA-transferase activity
• GO:0008775 acetate CoA-transferase activity
• GO:0016740 transferase activity
• GO:0047371 butyrate-acetoacetate CoA-transferase activity

Biological Process

• GO:0006631 fatty acid metabolic process
• GO:0046459 short-chain fatty acid metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1k6d, PDBe:1k6d, PDBj:1k6d
• PDBsum: 1k6d
• PubMed: 12454473
• UniProt: P76458|ATOD_ECOLI Acetate CoA-transferase subunit alpha (Gene Name=atoD)