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Crystal structure of an integral membrane steroid 5-alpha-reductase PBSRD5A

Analyse Crystal structure of an integral membrane steroid 5-alpha-reductase PBSRD5A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7C83
Type
protein
Length
251 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3-oxo-5-alpha-steroid 4-dehydrogenase
UniProt
A0A3A0FWV3
Ligands
NDP
Pockets
1 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-oxo-5-alpha-steroid 4-dehydrogenaseprotein25169% helix, 3% strandA0A3A0FWV3

Ligands and binding sites

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 8 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16760.860.9064NDP, OLC

Compared structures

  • 7C83 · Crystal structure of an integral membrane steroid 5-alpha-reductase PbSRD5A · the same entry in another collection · chain A against A, TM-score 1.00

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