X-ray structure of the CJ1427 in the presence of NADH and GDP-D- glycero-D-mannoheptose, an essential NAD-dependent dehydrogenase from campylobacter jejuni

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 19% strand (DSSP).

Ligands and binding sites

• NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · 2 copies · chains A, B
• GZ0 · [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl) oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R}, 3~{S},4~{S},5~{S},6~{S})-6-[(1~{S})-1,2-bis(oxidanyl) ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate · ligand · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1293 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

• 6VO8 · X-ray structure of the Cj1427 in the presence of NADH and GDP-D-glycero-D-mannoheptose… · the same entry in another collection · chain A against A, TM-score 1.00

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• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q0P8I7
• Elsewhere: RCSB PDB 6VO8 · PDBe 6VO8 · UniProt Q0P8I7