MolNFT v1 · #173820 · protein

Crystal structure of apo aldo-keto reductase from agrobacterium tumefaciens

7BBZ · Aryl-alcohol dehydrogenase: “Crystal structure of apo aldo-keto reductase from agrobacterium tumefaciens”. X-ray diffraction, 7 pockets (best druggability 0.79). MolNFT v1 #173820 on GenesisL1: 3D structure, binding sites and…

PDB: 7BBZ
Type: protein
Length: 894 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aryl-alcohol dehydrogenase
UniProt: A9CEY6
Pockets: 7 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Aryl-alcohol dehydrogenase	protein	298	46% helix, 16% strand	A9CEY6

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	654	0.79	0.84	101	empty
2	167	0.57	0.81	27	empty
3	188	0.56	0.80	37	empty
4	69	0.33	0.76	16	empty
5	70	0.29	0.73	14	empty

Interfaces

3 interfaces between chains.

A–B · 1093 Å² buried · 17 hydrogen bonds · protein-protein
A–C · 630 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 98 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

7BBZ · Crystal structure of apo aldo-keto reductase from Agrobacterium tumefaciens · 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 A9CEY6
Elsewhere: RCSB PDB 7BBZ · PDBe 7BBZ · UniProt A9CEY6

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.