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Structure of imine reductase from pseudomonas sp.

Analyse Structure of imine reductase from pseudomonas sp. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7A3W
Type: protein
Length: 581 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NAD(P)-dependent oxidoreductase
Ligands: NDP
Pockets: 4 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 56% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NAD(P)-dependent oxidoreductase	protein	288	56% helix, 13% strand	—
B	NAD(P)-dependent oxidoreductase	protein	293	56% helix, 12% strand	—

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
GOL · Glycerol · additive · chains B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	371	0.76	0.86	40	EDO, NDP
2	347	0.76	0.87	40	NDP, EDO
3	68	0.38	0.79	15	empty
4	65	0.36	0.78	13	empty

Interfaces

1 interface between chains.

A–B · 4278 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

7A3W · Structure of Imine Reductase from Pseudomonas sp. · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 7A3W · PDBe 7A3W

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