Structure of PDB 4b6z Chain A Binding Site BS02

Receptor Information

>4b6z Chain A (length=380) Species: 95486 (Burkholderia cenocepacia)

TLSITSNFDAGAIDVVSCDSPDAIRLRVRGDNRSEFAQWFYYRLTGARGE
RCVMTFENAAECAYPSGWRNYSAVASYDRVDWFRVPTTFDGKTMTIDHTP
EFDSIYYAYFEPYSEERHAAFLGAVQQLPQASVVELGRTVEGRPMSLLTL
GTPETAPKKKVWIIARQHPGESMAEWFVEGLVKRLAGWGDWAGDPVARKL
YDRVTFHIVPNMNPDGSVHGNLRTNAAGANLNREWMAPDAERSPEVLAVR
DAIHAIGCDMFFDIHGDEDLPYVFVAGSEMLPSFTEQQGKEQTAFIEAFK
VASPDFQTEHGYAASKYKEDALKLASKYIGHQFGCLSLTLEMPFKDNANL
PDERVGWNGERSAALGAAMLAAILVHVDTF

Ligand information

• Ligand ID: ACT
• InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
• InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04: [O-]C(=O)C
  OpenEye OEToolkits 1.5.0: CC(=O)[O-]
  CACTVS 3.341: CC([O-])=O
• Formula: C2 H3 O2
• Name: ACETATE ION
• DrugBank: DB14511
• PDB chain: 4b6z Chain A Residue 1387

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4b6z High-Resolution Structure of the M14-Type Cytosolic Carboxypeptidase from Burkholderia Cenocepacia Refined Exploiting Pdb_Redo Strategies.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H171 R226 N235 R236
• Binding residue (residue number reindexed from 1): H168 R223 N232 R233
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004181 metallocarboxypeptidase activity
• GO:0008270 zinc ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:4b6z, PDBe:4b6z, PDBj:4b6z
• PDBsum: 4b6z
• PubMed: 24531462
• UniProt: B4EEQ5