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Fusion protein of heme oxygenase-1 and NADPH cytochrome P450 reductase (17AA)

Analyse Fusion protein of heme oxygenase-1 and NADPH cytochrome P450 reductase (17AA) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6J7A
Type
protein
Length
1,621 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heme oxygenase 1,NADPH--cytochrome P450 reductase
EC
1.14.14.18, 1.6.2.4
UniProt
P06762, P00388
Ligands
HEM, FAD, FMN
Pockets
17 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeme oxygenase 1,NADPH--cytochrome P450 reductase (EC 1.14.14.18, 1.6.2.4)protein81445% helix, 15% strandP06762, P00388
BHeme oxygenase 1,NADPH--cytochrome P450 reductase (EC 1.14.14.18, 1.6.2.4)protein80746% helix, 15% strandP06762, P00388

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
  • FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B

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

Pockets

17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111300.800.81105HEM, FMN
24770.770.8445HEM
36170.720.8059empty
45580.720.8152empty
55780.700.7981FAD

Interfaces

1 interface between chains.

  • A–B · 1475 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 6J7A · Fusion protein of heme oxygenase-1 and NADPH cytochrome P450 reductase (17aa) · the same entry in another collection · chain A against A, TM-score 1.00
  • P00388 · AlphaFold monomer V2.0 prediction for NADPH--cytochrome P450 reductase (P00388) · a predicted model of the same protein · chain A against A, TM-score 0.60
  • P06762 · AlphaFold monomer V2.0 prediction for heme oxygenase 1 (P06762) · a predicted model of the same protein · chain B against A, TM-score 0.28

Analyse

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