Research workbench
Crystal structure of monomeric KLHXK1 in crystal form XI with glucose bound (closed state)
Analyse Crystal structure of monomeric KLHXK1 in crystal form XI with glucose bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3O8M
- Type
- protein
- Length
- 472 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hexokinase
- EC
- 2.7.1.1
- UniProt
- P33284
- Ligands
- GLC, BGC, CL
- Pockets
- 4 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hexokinase (EC 2.7.1.1) | protein | 472 | 45% helix, 18% strand | P33284 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · chains A
- BGC · beta-D-glucopyranose · sugar · chains A
- CL · Chloride ion · ion · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 224 | 0.61 | 0.82 | 34 | GLC, BGC |
| 2 | 85 | 0.34 | 0.75 | 16 | empty |
| 3 | 71 | 0.32 | 0.75 | 12 | empty |
| 4 | 66 | 0.31 | 0.74 | 13 | CL |
Compared structures
- 3O8M · Crystal structure of monomeric KlHxk1 in crystal form XI with glucose bound (closed state) · the same entry in another collection · chain A against A, TM-score 1.00
- P33284 · AlphaFold monomer V2.0 prediction for hexokinase (P33284) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P33284
- Elsewhere: RCSB PDB 3O8M · PDBe 3O8M · UniProt P33284
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