MolNFT v1 · #46278 · protein
Crystal structure of human hexokinase II
2NZT · Hexokinase-2: “Crystal structure of human hexokinase II”. X-ray diffraction, 3 ligands (GLC, BG6, UNX), 19 pockets (best druggability 0.77). MolNFT v1 #46278 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2NZT
- Type
- protein
- Length
- 1,738 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hexokinase-2
- EC
- 2.7.1.1
- UniProt
- P52789
- Ligands
- GLC, BG6, UNX
- Pockets
- 19 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hexokinase-2 (EC 2.7.1.1) | protein | 871 | 45% helix, 18% strand | P52789 |
| B | Hexokinase-2 (EC 2.7.1.1) | protein | 867 | 45% helix, 18% strand | P52789 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
- BG6 · 6-O-phosphono-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- UNX · Unknown atom or ion · ion · 28 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1099 | 0.77 | 0.79 | 121 | GLC, BG6 |
| 2 | 655 | 0.77 | 0.82 | 83 | GLC, BG6 |
| 3 | 221 | 0.67 | 0.85 | 39 | GLC, BG6, UNX |
| 4 | 556 | 0.65 | 0.76 | 54 | UNX |
| 5 | 211 | 0.65 | 0.84 | 33 | GLC, BG6 |
Interfaces
1 interface between chains.
- A–B · 1666 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
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 P52789
- Elsewhere: RCSB PDB 2NZT · PDBe 2NZT · UniProt P52789
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.