Structure of PDB 4bvq Chain A Binding Site BS02

Receptor Information

>4bvq Chain A (length=364) Species: 47660 (Pseudomonas sp. ADP)

HMYHIDVFRIPCHSPGDTSGLEDLIETGRVAPADIVAVMGKTEGNGCVND
YTREYATAMLAACLGRHLQLPPHEVEKRVAFVMSGGTEGVLSPHHTVFAR
RPAIDAHRPAGKRLTLGIAFTRDFLPEEIGRHAQITETAGAVKRAMRDAG
IASIDDLHFVQVKCPLLTPAKIASARSRGCAPVTTDTYESMGYSRGASAL
GIALATEEVPSSMLVDESVLNDWSLSSSLASASAGIELEHNVVIAIGMSE
QATSELVIAHGVMSDAIDAASVRRTIESLGIRSDDEMDRIVNVFAKAEAS
PDGVVRGMRHTMLSDSDINSTRHARAVTGAAIASVVGHGMVYVSGGAEHQ
GPAGGGPFAVIARA

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: 4bvq Chain A Residue 1365

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bvq Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): E297 A346 Q349 P351 G354
• Binding residue (residue number reindexed from 1): E298 A347 Q350 P352 G355
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.2.15: cyanuric acid amidohydrolase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0016812 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
• GO:0018753 cyanuric acid amidohydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0019381 atrazine catabolic process

External links

• PDB: RCSB:4bvq, PDBe:4bvq, PDBj:4bvq
• PDBsum: 4bvq
• PubMed: 23651355
• UniProt: P58329|CAH_PSESD Cyanuric acid amidohydrolase (Gene Name=atzD)