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Crystal structure of C-terminal despentapeptide nitrite reductase from achromobacter cycloclastes at PH5.0

Analyse Crystal structure of C-terminal despentapeptide nitrite reductase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1RZQ
Type
protein
Length
988 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Copper-containing nitrite reductase
EC
1.7.2.1
UniProt
P25006
Ligands
CU, SO4
Pockets
19 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCopper-containing nitrite reductase (EC 1.7.2.1)protein3289% helix, 42% strandP25006
CCopper-containing nitrite reductase (EC 1.7.2.1)protein3329% helix, 42% strandP25006

Ligands and binding sites

  • CU · Copper (II) ion · metal · 6 copies · chains A, B, C
  • SO4 · Sulfate ion · ion · 5 copies · chains A, B, C
  • ACY · Acetic acid · additive · 4 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12700.830.9532empty
24970.810.8851empty
31110.780.9721empty
41240.770.9622empty
51140.760.9620empty

Interfaces

3 interfaces between chains.

  • A–C · 1928 Ų buried · 30 hydrogen bonds · protein-protein
  • A–B · 1880 Ų buried · 28 hydrogen bonds · protein-protein
  • B–C · 1868 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

  • 1RZQ · Crystal Structure of C-Terminal Despentapeptide Nitrite Reductase from Achromobacter… · the same entry in another collection · chain A against A, TM-score 1.00
  • P25006 · AlphaFold monomer V2.0 prediction for copper-containing nitrite reductase (P25006) · a predicted model of the same protein · chain A against A, TM-score 1.00

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