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MolNFT v1 · #5794 · protein

Crystal structure of nitrite reductase ASP98ASN mutant from alcaligenes faecalis S-6

1ET5: “Crystal structure of nitrite reductase ASP98ASN mutant from alcaligenes faecalis S-6”. X-ray diffraction, 2 ligands (CU, ZN), 2 pockets (best druggability 0.71). MolNFT v1 #5794 on GenesisL1: 3D structure, binding sites and pockets…

PDB
1ET5
Type
protein
Length
336 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nitrite reductase
EC
1.7.99.3
UniProt
P38501
Ligands
CU, ZN
Pockets
2 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANitrite reductase (EC 1.7.99.3)protein33611% helix, 40% strandP38501

Ligands and binding sites

  • CU · Copper (II) ion · metal · 2 copies · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.710.9818empty
2760.440.8117empty

Compared structures

  • 1ET5 · Crystal structure of nitrite reductase ASP98ASN mutant from alcaligenes faecalis S-6 · the same entry in another collection · chain A against A, TM-score 1.00
  • P38501 · AlphaFold monomer V2.0 prediction for copper-containing nitrite reductase (P38501) · a predicted model of the same protein · chain A against A, TM-score 1.00

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