Structure of PDB 7bip Chain B Binding Site BS01

Receptor Information

>7bip Chain B (length=329) Species: 42235 (Streptomyces bottropensis)

MKFGINLFPTVGPAEKSAGQHFEESLRLAELADELGFHHVKTVEHYFHEY
GGYSPDPVTFLAAAAARTRRVRLVTGAVLPVFTHPLKLAGKLAMLDNISQ
GRLDVGFGRAFLPDEFTAFEISMDESRARFDEGVEAVRRLWAEEDVVWEG
TFHRFGPVTMLPRTWQRPHPRILVATAKTPASAEAAARAGHGVMLVPSIN
PREQVQKTLSLYRDAASAAGFKPTEEDIHMSYNCYLAEDGQEARQKGGQA
SERANRALASAVSGDFDRAVAERKALVGTPDEVRAAIDDIRGWFGDFTIS
LQVISGAMPFEESARTMRLFAEHLLPHYA

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: 7bip Chain B Residue 405

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7bip Biosynthesis of the Tricyclic Aromatic Type II Polyketide Rishirilide: New Potential Third Ring Oxygenation after Three Cyclization Steps.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): K41 H229 M230 S231
• Binding residue (residue number reindexed from 1): K41 H229 M230 S231
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H45 Y46 G108 E115 S231
• Catalytic site (residue number reindexed from 1): H45 Y46 G108 E115 S231

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
• GO:0046872 metal ion binding

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:7bip, PDBe:7bip, PDBj:7bip
• PDBsum: 7bip
• PubMed: 33763824
• UniProt: W8QPS6