MolNFT v1 · #58436 · protein
Crystal structures of alternatively-spliced isoforms of human ketohexokinase
3B3L: “Crystal structures of alternatively-spliced isoforms of human ketohexokinase”. X-ray diffraction, 11 pockets (best druggability 0.76). MolNFT v1 #58436 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3B3L
- Type
- protein
- Length
- 1,184 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ketohexokinase
- EC
- 2.7.1.3
- UniProt
- P50053
- Pockets
- 11 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Ketohexokinase (EC 2.7.1.3) | protein | 296 | 37% helix, 26% strand | P50053 |
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 554 | 0.76 | 0.83 | 63 | empty |
| 2 | 563 | 0.76 | 0.83 | 63 | empty |
| 3 | 668 | 0.73 | 0.79 | 75 | empty |
| 4 | 657 | 0.71 | 0.79 | 83 | empty |
| 5 | 219 | 0.56 | 0.79 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1689 Ų buried · 28 hydrogen bonds · protein-protein
- C–D · 1676 Ų buried · 25 hydrogen bonds · protein-protein
- A–D · 361 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3B3L · Crystal structures of alternatively-spliced isoforms of human ketohexokinase · the same entry in another collection · chain A against A, TM-score 1.00
- P50053 · AlphaFold monomer V2.0 prediction for ketohexokinase (P50053) · 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 P50053
- Elsewhere: RCSB PDB 3B3L · PDBe 3B3L · UniProt P50053
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