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Time-resolved sfx structure of cytochrome P450NOR: dark-2 data in the presence of NADH (resting state)

Analyse Time-resolved sfx structure of cytochrome P450NOR: dark-2 data in the presence… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Y5J
Type
protein
Length
798 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NADP nitrous oxide-forming nitric oxide reductase
EC
1.7.1.14
UniProt
P23295
Ligands
HEM
Pockets
6 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNADP nitrous oxide-forming nitric oxide reductase (EC 1.7.1.14)protein39952% helix, 10% strandP23295

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110070.830.8491HEM, GOL
210380.800.8284HEM, GOL
33830.560.7442empty
4650.320.7512empty
5580.320.7613empty

Interfaces

1 interface between chains.

  • A–B · 463 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 5Y5J · Time-resolved SFX structure of cytochrome P450nor: dark-2 data in the presence of NADH… · the same entry in another collection · chain A against A, TM-score 1.00
  • P23295 · AlphaFold monomer V2.0 prediction for NADP nitrous oxide-forming nitric oxide reductase… · a predicted model of the same protein · chain A against A, TM-score 0.99

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