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MolNFT v1 · #128775 · protein

Crystal structure of trans-membrane domain of cylindrospermum stagnale NADPH-oxidase 5 (NOX5)

5O0T · Putative ferric reductase: “Crystal structure of trans-membrane domain of cylindrospermum stagnale NADPH-oxidase 5 (NOX5)”. X-ray diffraction, 4 ligands (D10, HEM, LFA), 3 pockets (best druggability 0.71). MolNFT v1 #128775 on…

PDB
5O0T
Type
protein
Length
206 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative ferric reductase
UniProt
K9WT99
Ligands
D10, HEM, LFA, SO4
Pockets
3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 84% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative ferric reductaseprotein20684% helix, 0% strandK9WT99

Ligands and binding sites

  • D10 · Decane · ligand · 3 copies · chains A
  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A
  • LFA · Eicosane · ligand · 2 copies · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A
  • GOL · Glycerol · additive · 2 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13230.710.8440HEM
23430.680.8134HEM
32250.590.7924LFA

Compared structures

  • 5O0T · CRYSTAL STRUCTURE OF TRANS-MEMBRANE DOMAIN OF Cylindrospermum stagnale NADPH-OXIDASE 5… · the same entry in another collection · chain A against A, TM-score 1.00

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