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Crystal structure of NAD-dependent aldehyde dehydrogenase from lactobacillus acidophilus

Analyse Crystal structure of NAD-dependent aldehyde dehydrogenase from lactobacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3ROS
Type: protein
Length: 459 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NAD-dependent aldehyde dehydrogenase
EC: 1.2.1.16
UniProt: Q5FIM9
Ligands: SO4
Pockets: 2 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NAD-dependent aldehyde dehydrogenase (EC 1.2.1.16)	protein	459	42% helix, 19% strand	Q5FIM9

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	526	0.71	0.80	57	SO4
2	97	0.38	0.76	19	empty

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

3ROS · Crystal structure of NAD-dependent aldehyde dehydrogenase from Lactobacillus acidophilus · 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
Every structure of UniProt Q5FIM9
Elsewhere: RCSB PDB 3ROS · PDBe 3ROS · UniProt Q5FIM9

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