MolNFT v1 · #5527 · protein

Crystal structure of hydroxyethylthiazole kinase in R3 space group

1EKQ: “Crystal structure of hydroxyethylthiazole kinase in R3 space group”. X-ray diffraction, 2 pockets (best druggability 0.52). MolNFT v1 #5527 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1EKQ
Type: protein
Length: 509 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hydroxyethylthiazole kinase
EC: 2.7.1.50
UniProt: P39593
Pockets: 2 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 56% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hydroxyethylthiazole kinase (EC 2.7.1.50)	protein	254	57% helix, 15% strand	P39593
B	Hydroxyethylthiazole kinase (EC 2.7.1.50)	protein	255	56% helix, 15% strand	P39593

Pockets

2 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	216	0.52	0.77	25	empty
2	202	0.51	0.77	25	empty

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

1EKQ · Crystal structure of hydroxyethylthiazole kinase in R3 space group · the same entry in another collection · chain A against A, TM-score 1.00
P39593 · AlphaFold monomer V2.0 prediction for hydroxyethylthiazole kinase (P39593) · a predicted model of the same protein · chain B 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 P39593
Elsewhere: RCSB PDB 1EKQ · PDBe 1EKQ · UniProt P39593

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