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Crystal structure of NAD synthetase nade from vibrio fischeri

Analyse Crystal structure of NAD synthetase nade from vibrio fischeri in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5WP0
Type
protein
Length
534 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NH(3)-dependent NAD(+) synthetase
EC
6.3.1.5
UniProt
Q5DZX4
Pockets
5 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANH(3)-dependent NAD(+) synthetase (EC 6.3.1.5)protein26055% helix, 8% strandQ5DZX4
BNH(3)-dependent NAD(+) synthetase (EC 6.3.1.5)protein27452% helix, 7% strandQ5DZX4

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17840.760.8082empty
26200.700.7849empty
34010.620.7737empty
43340.600.7847empty
5930.380.7617empty

Interfaces

1 interface between chains.

  • A–B · 2579 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 5WP0 · Crystal structure of NAD synthetase NadE from Vibrio fischeri · the same entry in another collection · chain B against B, TM-score 1.00
  • Q5DZX4 · AlphaFold monomer V2.0 prediction for NH(3)-dependent NAD(+) synthetase (Q5DZX4) · a predicted model of the same protein · chain A against A, TM-score 0.98

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