Structure of PDB 1i19 Chain B Binding Site BS01

Receptor Information

>1i19 Chain B (length=538) Species: 1702 (Brevibacterium sterolicum)

VAPLPTPPNFPNDIALFQQAYQNWSKEIMLDATWVCSPKTPQDVVRLANW
AHEHDYKIRPRGAMHGWTPLTVEKGANVEKVILADTMTHLNGITVNTGGP
VATVTAGAGASIEAIVTELQKHDLGWANLPAPGVLSIGGALAVNAHGAAL
PAVGQTTLPGHTYGSLSNLVTELTAVVWNGTTYALETYQRNDPRITPLLT
NLGRCFLTSVTMQAGPNFRQRCQSYTDIPWRELFAPKGADGRTFEKFVAE
SGGAEAIWYPFTEKPWMKVWTVSVGKPPQAREVSGPYNYIFSDNLPEPIT
DMIGAINAGNPGIAPLFGPAMYEITKLGLAATNANDIWGWSKDVQFYIKA
TTLRLTEGGGAVVTSRANIATVINDFTEWFHERIEFYRAKGEFPLNGPVE
IRCCGLDQAADVKVPSVGPPTISATRPRPDHPDWDVAIWLNVLGVPGTPG
MFEFYREMEQWMRSHYNNDDATFRPEWSKGWAFGPDPYTDNDIVTNKMRA
TYIEGVPTTENWDTARARYNQIDPHRVFTNGFMDKLLP

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 1i19 Chain B Residue 702

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1i19 Oxygen access to the active site of cholesterol oxidase through a narrow channel is gated by an Arg-Glu pair.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): N542 E579
• Binding residue (residue number reindexed from 1): N467 E504
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H121 E311 E475 R477
• Catalytic site (residue number reindexed from 1): H65 E255 E400 R402
• Enzyme Commision number: 1.1.3.6: cholesterol oxidase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003824 catalytic activity
• GO:0016491 oxidoreductase activity
• GO:0016899 oxidoreductase activity, acting on the CH-OH group of donors, oxygen as acceptor
• GO:0046872 metal ion binding
• GO:0050660 flavin adenine dinucleotide binding
• GO:0071949 FAD binding

External links

• PDB: RCSB:1i19, PDBe:1i19, PDBj:1i19
• PDBsum: 1i19
• PubMed: 11397813
• UniProt: Q7SID9