MolNFT v1 · #105775 · protein

Crystal structure of ketoreductase from lactobacillus kefir

4RF4 · NADPH dependent R-specific alcohol dehydrogenase: “Crystal structure of ketoreductase from lactobacillus kefir”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.72). MolNFT v1 #105775 on GenesisL1: 3D structure…

PDB: 4RF4
Type: protein
Length: 500 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NADPH dependent R-specific alcohol dehydrogenase
UniProt: Q6WVP7
Ligands: MG
Pockets: 4 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	NADPH dependent R-specific alcohol dehydrogenase	protein	250	48% helix, 16% strand	Q6WVP7

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B

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

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	526	0.72	0.81	45	empty
2	579	0.71	0.79	46	empty
3	71	0.38	0.79	18	empty
4	72	0.36	0.78	17	empty

Interfaces

1 interface between chains.

A–B · 1630 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

4RF4 · Crystal structure of ketoreductase from Lactobacillus kefir · 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 Q6WVP7
Elsewhere: RCSB PDB 4RF4 · PDBe 4RF4 · UniProt Q6WVP7

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