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Crystal structure of the putative nitrite reductase NADPH (small subunit) oxidoreductase protein Q87HB1. northeast structural genomics consortium target VPR162

Analyse Crystal structure of the putative nitrite reductase NADPH (small subunit)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3C0D
Type
protein
Length
852 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative nitrite reductase NADPH (small subunit) oxidoreductase protein
UniProt
Q87HB1
Pockets
7 · best druggability 0.71

Structure

x-ray diffraction · 3 distinct chains · 6% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative nitrite reductase NADPH (small subunit) oxidoreductase proteinprotein1096% helix, 50% strandQ87HB1
BPutative nitrite reductase NADPH (small subunit) oxidoreductase proteinprotein1076% helix, 50% strandQ87HB1
C, D, E, F, G, HPutative nitrite reductase NADPH (small subunit) oxidoreductase proteinprotein1066% helix, 46% strandQ87HB1

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17490.710.7758empty
21620.530.7926empty
32450.500.7538empty
4870.450.8024empty
5740.400.7921empty

Interfaces

11 interfaces between chains.

  • C–H · 421 Ų buried · 4 hydrogen bonds · protein-protein
  • C–F · 393 Ų buried · 6 hydrogen bonds · protein-protein
  • B–G · 371 Ų buried · 4 hydrogen bonds · protein-protein
  • A–C · 362 Ų buried · 0 hydrogen bonds · protein-protein
  • B–F · 353 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

  • 3C0D · Crystal structure of the putative nitrite reductase NADPH (small subunit) oxidoreductase… · the same entry in another collection · chain A against A, TM-score 1.00

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