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MolNFT v1 · #32399 · protein

M144Q structure of nitrite reductase from alcaligenes xylosoxidans

2BP8 · Dissimilatory copper-containing nitrite reductase: “M144Q structure of nitrite reductase from alcaligenes xylosoxidans”. X-ray diffraction, 3 ligands (ZN, CU, SO4), 4 pockets (best druggability 0.51). MolNFT v1 #32399 on GenesisL1…

PDB
2BP8
Type
protein
Length
670 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dissimilatory copper-containing nitrite reductase
UniProt
O68601
Ligands
ZN, CU, SO4
Pockets
4 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADissimilatory copper-containing nitrite reductaseprotein33511% helix, 39% strandO68601
BDissimilatory copper-containing nitrite reductaseprotein33510% helix, 39% strandO68601

Ligands and binding sites

  • ZN · Zinc ion · metal · 10 copies · chains A, B
  • CU · Copper (II) ion · metal · 4 copies · chains A, B
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12910.510.7431empty
2890.430.7916ZN
3930.410.7816ZN
4610.280.7413empty

Interfaces

1 interface between chains.

  • A–B · 109 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 2BP8 · M144Q Structure of nitrite reductase from Alcaligenes xylosoxidans · the same entry in another collection · chain A against A, TM-score 1.00

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