MolNFT v1 · #11980 · protein

Crystal structure of sorbitol dehydrogenase from R. sphaeroides

1K2W: “Crystal structure of sorbitol dehydrogenase from R. sphaeroides”. X-ray diffraction, 4 pockets (best druggability 0.72). MolNFT v1 #11980 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1K2W
Type: protein
Length: 512 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sorbitol dehydrogenase
EC: 1.1.1.14
UniProt: Q59787
Pockets: 4 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Sorbitol dehydrogenase (EC 1.1.1.14)	protein	256	51% helix, 16% strand	Q59787

Pockets

4 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	558	0.72	0.80	49	empty
2	605	0.72	0.79	54	empty
3	168	0.48	0.77	23	empty
4	72	0.33	0.75	13	empty

Interfaces

1 interface between chains.

A–B · 1608 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

1K2W · Crystal structure of sorbitol dehydrogenase from R. sphaeroides · the same entry in another collection · chain A against A, TM-score 1.00
Q59787 · AlphaFold monomer V2.0 prediction for sorbitol dehydrogenase (Q59787) · 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 Q59787
Elsewhere: RCSB PDB 1K2W · PDBe 1K2W · UniProt Q59787

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