MolNFT v1 · #138207 · protein
Structure of human ketohexokinase complexed with hits from fragment screening
5WBQ: “Structure of human ketohexokinase complexed with hits from fragment screening”. X-ray diffraction, 3 ligands (A3J, SO4, CL). MolNFT v1 #138207 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5WBQ
- Type
- protein
- Length
- 597 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P50053
- Ligands
- A3J, SO4, CL
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 296 | — | P50053 |
| B | — | protein | 301 | — | P50053 |
Ligands and binding sites
- A3J · 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5WBQ · Structure of human Ketohexokinase complexed with hits from fragment screening · 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 0.99
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 5WBQ · PDBe 5WBQ · UniProt P50053
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