Research workbench

Human hexokinase type I complexed with ATP analogue AMP-pnp

Analyse Human hexokinase type I complexed with ATP analogue AMP-pnp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1QHA
Type: protein
Length: 1,802 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (hexokinase)
EC: 2.7.1.1
UniProt: P19367
Ligands: ANP, GLC, G6P, MG
Pockets: 20 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein (hexokinase) (EC 2.7.1.1)	protein	903	45% helix, 18% strand	P19367
B	Protein (hexokinase) (EC 2.7.1.1)	protein	899	45% helix, 18% strand	P19367

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
G6P · 6-O-phosphono-alpha-D-glucopyranose · sugar · 4 copies · chains A, B
MG · Magnesium ion · metal · 6 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	737	0.81	0.85	85	GLC, G6P
2	731	0.80	0.84	85	G6P
3	197	0.68	0.87	39	GLC, G6P
4	161	0.64	0.86	30	GLC, G6P
5	390	0.62	0.77	43	empty

Interfaces

1 interface between chains.

A–B · 1915 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

1QHA · Human hexokinase type I complexed with ATP analogue AMP-pnp · the same entry in another collection · chain A against A, TM-score 1.00
P19367 · AlphaFold monomer V2.0 prediction for hexokinase-1 (P19367) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P19367
Elsewhere: RCSB PDB 1QHA · PDBe 1QHA · UniProt P19367

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