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MolNFT v1 · #78532 · protein

Pseudomonas stutzeri nitrous oxide reductase, P65 crystal form

3SBQ · Nitrous-oxide reductase: “Pseudomonas stutzeri nitrous oxide reductase, P65 crystal form”. X-ray diffraction, 5 ligands (CUA, CUK, K), 8 pockets (best druggability 0.81). MolNFT v1 #78532 on GenesisL1: 3D structure, binding sites…

PDB
3SBQ
Type
protein
Length
1,162 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nitrous-oxide reductase
EC
1.7.99.6
UniProt
P19573
Ligands
CUA, CUK, K, CA, CL
Pockets
8 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNitrous-oxide reductase (EC 1.7.99.6)protein58111% helix, 41% strandP19573

Ligands and binding sites

  • CUA · Dinuclear copper ion · ligand · 2 copies · chains A, B
  • CUK · [4Cu:2S] cluster · ligand · 2 copies · chains A, B
  • K · Potassium ion · metal · 2 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B
  • IMD · Imidazole · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12800.810.9246empty
21870.460.7528empty
31470.430.7523empty
41110.390.7525empty
5920.340.7418empty

Interfaces

1 interface between chains.

  • A–B · 5824 Ų buried · 69 hydrogen bonds · protein-protein

Compared structures

  • 3SBQ · Pseudomonas stutzeri nitrous oxide reductase, P65 crystal form · the same entry in another collection · chain A against A, TM-score 1.00
  • P19573 · AlphaFold monomer V2.0 prediction for nitrous-oxide reductase (P19573) · a predicted model of the same protein · chain A against A, TM-score 1.00

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