MolNFT v1 · #58591 · protein

Crystal structure of yeast hexokinase pi in complex with glucose

3B8A · Hexokinase-1: “Crystal structure of yeast hexokinase pi in complex with glucose”. X-ray diffraction, 2 ligands (BGC, SO4), 3 pockets (best druggability 0.65). MolNFT v1 #58591 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3B8A
Type: protein
Length: 470 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hexokinase-1
EC: 2.7.1.1
UniProt: P04806
Ligands: BGC, SO4
Pockets: 3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	Hexokinase-1 (EC 2.7.1.1)	protein	470	42% helix, 17% strand	P04806

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · chains X
SO4 · Sulfate ion · ion · chains X

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	342	0.65	0.80	46	BGC, SO4
2	50	0.35	0.80	16	empty
3	91	0.35	0.75	27	empty

Compared structures

3B8A · Crystal structure of yeast hexokinase PI in complex with glucose · the same entry in another collection · chain X against X, TM-score 1.00
P04806 · AlphaFold monomer V2.0 prediction for hexokinase-1 (P04806) · a predicted model of the same protein · chain X against A, TM-score 0.94

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 P04806
Elsewhere: RCSB PDB 3B8A · PDBe 3B8A · UniProt P04806

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