Structure of PDB 4ce5 Chain B Binding Site BS03

Receptor Information

>4ce5 Chain B (length=325) Species: 33178 (Aspergillus terreus)

MASMDKVFAGYAARQAILESTETTNPFAKGIAWVEGELVPLAEARIPLLD
QGFMHSDLTYDVPSVWDGRFFRLDDHITRLEASCTKLRLRLPLPRDQVKQ
ILVEMVAKSGIRDAFVELIVTRGLKGVRGTRPEDIVNNLYMFVQPYVWVM
EPDMQRVGGSAVVARTVRRVPPGAIDPTVKNLQWGDLVRGMFEAADRGAT
YPFLTDGDAHLTEGSGFNIVLVKDGVLYTPDRGVLQGVTRKSVINAAEAF
GIEVRVEFVPVELAYRCDEIFMCTTAGGIMPITTLDGMPVNGGQIGPITK
KIWDGYWAMHYDAAYSFEIDYNERN

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 4ce5 Chain B Residue 1327

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ce5 Crystal Structure of an (R)-Selective Omega-Transaminase from Aspergillus Terreus
• Resolution: 1.63 Å
• Binding residue (original residue number in PDB): D67 R69
• Binding residue (residue number reindexed from 1): D67 R69
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y60 K180 E213 L235
• Catalytic site (residue number reindexed from 1): Y60 K180 E213 L235
• Enzyme Commision number: 2.6.1.42: branched-chain-amino-acid transaminase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0046872 metal ion binding

Biological Process

• GO:0019752 carboxylic acid metabolic process
• GO:0046394 carboxylic acid biosynthetic process

External links

• PDB: RCSB:4ce5, PDBe:4ce5, PDBj:4ce5
• PDBsum: 4ce5
• PubMed: 24498081
• UniProt: Q0C8G1