GL1X · GenesisL1 explorer

MolNFT v1 · #109591 · protein

Cobk precorrin-6A reductase

4X7G: “Cobk precorrin-6A reductase”. X-ray diffraction, 2 ligands (NAP, 3Y8), 1 pocket (best druggability 0.81). MolNFT v1 #109591 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4X7G
Type
protein
Length
251 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Precorrin-6A reductase
EC
1.3.1.54
UniProt
O68098
Ligands
NAP, 3Y8
Pockets
1 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APrecorrin-6A reductase (EC 1.3.1.54)protein25132% helix, 22% strandO68098

Ligands and binding sites

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
  • 3Y8 · 3-[(1R,2S,3S,7S,11S,16S,17R,18R,19R)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18840.810.8378NAP, 3Y8

Modifications

Observed in the structure: 3 modified, 1 disulfide (engineered, disulfide).

Compared structures

  • 4X7G · CobK precorrin-6A reductase · the same entry in another collection · chain A against A, TM-score 1.00
  • O68098 · AlphaFold monomer V2.0 prediction for precorrin-6A reductase (O68098) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

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