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Oxidized steroid monooxygenase bound to NADP

Analyse Oxidized steroid monooxygenase bound to NADP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4AOX
Type
protein
Length
523 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Steroid monooxygenase
EC
1.14.13.54
UniProt
O50641
Ligands
FAD, SO4
Pockets
3 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASteroid monooxygenase (EC 1.14.13.54)protein52336% helix, 21% strandO50641

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • SO4 · Sulfate ion · ion · 4 copies · 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
19210.820.8395FAD, SO4
22180.610.8242empty
3500.270.7513empty

Compared structures

  • 4AOX · Oxidized steroid monooxygenase bound to NADP · the same entry in another collection · chain A against A, TM-score 1.00

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