MolNFT v1 · #185885 · protein

Crystal structure of the apo form of ALDH1A3

7QK7 · Aldehyde dehydrogenase family 1 member A3: “Crystal structure of the apo form of ALDH1A3”. X-ray diffraction, 8 pockets (best druggability 0.83). MolNFT v1 #185885 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7QK7
Type: protein
Length: 978 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aldehyde dehydrogenase family 1 member A3
EC: 1.2.1.5
UniProt: P47895
Pockets: 8 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Aldehyde dehydrogenase family 1 member A3 (EC 1.2.1.5)	protein	489	40% helix, 21% strand	P47895

Ligands and binding sites

PEG · Di(hydroxyethyl)ether · additive · 6 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	754	0.83	0.87	53	PEG
2	761	0.74	0.79	96	PEG
3	588	0.71	0.79	70	PEG, GOL
4	438	0.65	0.78	52	empty
5	450	0.65	0.78	52	PEG

Interfaces

1 interface between chains.

A–B · 2717 Å² buried · 51 hydrogen bonds · protein-protein

Compared structures

7QK7 · Crystal structure of the APO form of ALDH1A3 · the same entry in another collection · chain A against A, TM-score 1.00
P47895 · AlphaFold monomer V2.0 prediction for aldehyde dehydrogenase family 1 member A3 (P47895) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P47895
Elsewhere: RCSB PDB 7QK7 · PDBe 7QK7 · UniProt P47895

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