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Crystal structure of oxidation intermediate (1MIN) of NADH-cytochrome B5 reductase from pig liver

Analyse Crystal structure of oxidation intermediate (1MIN) of NADH-cytochrome B5… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3W2H
Type
protein
Length
271 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NADH-cytochrome B5 reductase 3
EC
1.6.2.2
UniProt
P83686
Ligands
FAD, NAD
Pockets
3 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANADH-cytochrome B5 reductase 3 (EC 1.6.2.2)protein27124% helix, 35% strandP83686

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • NAD · Nicotinamide-adenine-dinucleotide · ligand · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14350.610.7653FAD, NAD
21000.370.7523empty
3540.300.7619empty

Compared structures

  • 3W2H · Crystal structure of oxidation intermediate (1min) of NADH-cytochrome b5 reductase from… · the same entry in another collection · chain A against A, TM-score 1.00
  • P83686 · AlphaFold monomer V2.0 prediction for NADH-cytochrome B5 reductase 3 (P83686) · a predicted model of the same protein · chain A against A, TM-score 0.98

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