Structure of PDB 4rdy Chain A Binding Site BS01

Receptor Information

>4rdy Chain A (length=313) Species: 985053 (Vulcanisaeta moutnovskia 768-28)

VRISIAGGNEIDPGSMGLTLFHEHLRLITEVVRWNWPHLYNEDEELKRAI
DAVNAAKKYGVKTIIDLTVAGIGCDVRFNEKVAKATGVNIIMGTGFYTYT
EIPFYFKNRGIDSLVDAFVHDITIGIQGTNTRAAFVKAVIDSSGLTKDVE
MAIRAAAKAHIKTDVPIITHSFVGNKSSLDLIRIFKEEGVDLARTVIGHV
GDTDDISFIEQILREGAFIGLDRFGLDIYLPLDKRVKTAIELIKRGWIDQ
LLLSHDYCPTIDWYPPEVVRSTVPDWTMTLIFEKVIPRMRSEGITEEQIN
RVLIDNPRRLFTG

Ligand information

• Ligand ID: CO
• InChI: InChI=1S/Co/q+2
• InChIKey: XLJKHNWPARRRJB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Co+2]
  CACTVS 3.341: [Co++]
• Formula: Co
• Name: COBALT (II) ION
• DrugBank: DB14205
• PDB chain: 4rdy Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4rdy Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H23 H25 K138 D257
• Binding residue (residue number reindexed from 1): H22 H24 K137 D256
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): H23 H25 K138 H171 H200 D203 R224 D257
• Catalytic site (residue number reindexed from 1): H22 H24 K137 H170 H199 D202 R223 D256

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0016788 hydrolase activity, acting on ester bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0009056 catabolic process

External links

• PDB: RCSB:4rdy, PDBe:4rdy, PDBj:4rdy
• PDBsum: 4rdy
• PubMed: 25670483
• UniProt: F0QXN6