MolNFT v1 · #127510 · protein

Structure of apo-TBALDH3

5MYP · Aldehyde dehydrogenase: “Structure of apo-TBALDH3”. X-ray diffraction, 10 pockets (best druggability 0.85). MolNFT v1 #127510 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5MYP
Type: protein
Length: 970 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aldehyde dehydrogenase
UniProt: Q583M9
Pockets: 10 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Aldehyde dehydrogenase	protein	485	49% helix, 16% strand	Q583M9

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	795	0.85	0.88	71	GOL
2	465	0.79	0.87	56	empty
3	383	0.78	0.88	53	empty
4	461	0.66	0.79	42	empty
5	381	0.65	0.80	44	empty

Interfaces

1 interface between chains.

A–B · 4667 Å² buried · 83 hydrogen bonds · protein-protein

Compared structures

5MYP · Structure of apo-TbALDH3 · 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 Q583M9
Elsewhere: RCSB PDB 5MYP · PDBe 5MYP · UniProt Q583M9

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