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Crystal structure of lactaldehyde dehydrogenase from escherichia COLI

Analyse Crystal structure of lactaldehyde dehydrogenase from escherichia COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2OPX
Type: protein
Length: 477 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aldehyde dehydrogenase a
EC: 1.2.1.22
UniProt: P25553
Ligands: DXC
Pockets: 3 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aldehyde dehydrogenase a (EC 1.2.1.22)	protein	477	41% helix, 21% strand	P25553

Ligands and binding sites

DXC · (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid · ligand · 3 copies · chains A

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

Pockets

3 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	193	0.70	0.87	42	DXC
2	365	0.65	0.79	39	empty
3	57	0.28	0.73	11	empty

Compared structures

2OPX · Crystal Structure of Lactaldehyde Dehydrogenase from Escherichia coli · the same entry in another collection · chain A against A, TM-score 1.00
P25553 · AlphaFold monomer V2.0 prediction for lactaldehyde dehydrogenase (P25553) · a predicted model of the same protein · 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 P25553
Elsewhere: RCSB PDB 2OPX · PDBe 2OPX · UniProt P25553

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