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MolNFT v1 · #19866 · protein

Structrue of S127P mutant of cytochrome B5 reductase

1QX4 · NADH-cytochrome B5 reductase: “Structrue of S127P mutant of cytochrome B5 reductase”. X-ray diffraction, 1 ligand (FAD), 5 pockets (best druggability 0.64). MolNFT v1 #19866 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1QX4
Type
protein
Length
528 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NADH-cytochrome B5 reductase
EC
1.6.2.2
UniProt
P20070
Ligands
FAD
Pockets
5 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 23% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNADH-cytochrome B5 reductase (EC 1.6.2.2)protein26423% helix, 38% strandP20070

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14100.640.7848FAD
23090.610.7839FAD
3510.440.8416empty
4760.390.7820empty
5670.320.7518empty

Interfaces

1 interface between chains.

  • A–B · 601 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 1QX4 · Structrue of S127P mutant of cytochrome b5 reductase · the same entry in another collection · chain A against A, TM-score 1.00
  • P20070 · AlphaFold monomer V2.0 prediction for NADH-cytochrome B5 reductase 3 (P20070) · a predicted model of the same protein · chain A against A, TM-score 0.99

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