MolNFT v1 · #122622 · protein

Crystal structure of indole-3-acetaldehyde dehydrogenase in apo form

5IUU · Aldehyde dehydrogenase family protein: “Crystal structure of indole-3-acetaldehyde dehydrogenase in apo form”. X-ray diffraction, 6 pockets (best druggability 0.83). MolNFT v1 #122622 on GenesisL1: 3D structure, binding sites and…

PDB: 5IUU
Type: protein
Length: 859 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aldehyde dehydrogenase family protein
UniProt: Q88BC5
Pockets: 6 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aldehyde dehydrogenase family protein	protein	436	43% helix, 23% strand	Q88BC5
B	Aldehyde dehydrogenase family protein	protein	423	43% helix, 21% strand	Q88BC5

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	252	0.83	0.95	36	empty
2	925	0.76	0.79	106	empty
3	788	0.72	0.77	71	empty
4	442	0.62	0.76	54	empty
5	132	0.48	0.79	22	empty

Interfaces

1 interface between chains.

A–B · 2646 Å² buried · 53 hydrogen bonds · protein-protein

Compared structures

5IUU · Crystal Structure of Indole-3-acetaldehyde Dehydrogenase in Apo form · 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 Q88BC5
Elsewhere: RCSB PDB 5IUU · PDBe 5IUU · UniProt Q88BC5

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