GL1X · GenesisL1 explorer

MolNFT v1 · #150049 · protein

Crystal structure of pentaerythritol tetranitrate reductase (petnr) mutant L25I

6GI7: “Crystal structure of pentaerythritol tetranitrate reductase (petnr) mutant L25I”. X-ray diffraction, 1 ligand (FMN), 1 pocket (best druggability 0.74). MolNFT v1 #150049 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6GI7
Type
protein
Length
362 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pentaerythritol tetranitrate reductase
UniProt
P71278
Ligands
FMN
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APentaerythritol tetranitrate reductaseprotein36235% helix, 18% strandP71278

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · chains A
  • ACT · Acetate ion · additive · 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
14380.740.8439FMN, ACT

Compared structures

  • 6GI7 · Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant L25I · the same entry in another collection · chain A against A, TM-score 1.00

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