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Pseudomonas stutzeri nitrous oxide reductase mutant, H583D

Analyse Pseudomonas stutzeri nitrous oxide reductase mutant, H583D in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7AQ3
Type
protein
Length
1,154 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nitrous-oxide reductase
EC
1.7.2.4
UniProt
P19573
Ligands
CUA, TRP, CUZ, NA, ZN, CA, K, CL
Pockets
7 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANitrous-oxide reductase (EC 1.7.2.4)protein56811% helix, 43% strandP19573
BNitrous-oxide reductase (EC 1.7.2.4)protein58610% helix, 41% strandP19573

Ligands and binding sites

  • CUA · Dinuclear copper ion · ligand · 2 copies · chains A, B
  • TRP · Tryptophan · ligand · chains A
  • CUZ · (mu-4-sulfido)-tetra-nuclear copper ion · ligand · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 2 copies · chains A
  • CA · Calcium ion · metal · chains B
  • K · Potassium ion · metal · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B
  • FMT · Formic acid · additive · 13 copies · chains A, B
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12770.810.9340empty
21730.450.7525empty
31530.450.7624empty
4860.350.7518empty
5510.330.7815empty

Interfaces

1 interface between chains.

  • A–B · 5652 Ų buried · 71 hydrogen bonds · protein-protein

Compared structures

  • 7AQ3 · Pseudomonas stutzeri nitrous oxide reductase mutant, H583D · the same entry in another collection · chain B against B, 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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