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Crystal structure of streptomyces cholesterol oxidase H447Q/E361Q mutant (1.2A)

Analyse Crystal structure of streptomyces cholesterol oxidase H447Q/E361Q mutant (1.2A) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3B6D
Type
protein
Length
498 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cholesterol oxidase
EC
1.1.3.6
UniProt
P12676
Ligands
FAE, SO4
Pockets
3 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACholesterol oxidase (EC 1.1.3.6)protein49829% helix, 24% strandP12676

Ligands and binding sites

  • FAE · Flavin-N7 protonated-adenine dinucleotide · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17410.870.9083FAE
21560.550.8130empty
3740.310.7423empty

Compared structures

  • 3B6D · Crystal Structure of Streptomyces Cholesterol Oxidase H447Q/E361Q mutant (1.2A) · the same entry in another collection · chain A against A, TM-score 1.00
  • P12676 · AlphaFold monomer V2.0 prediction for cholesterol oxidase (P12676) · a predicted model of the same protein · chain A against A, TM-score 1.00

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