MolNFT v1 · #33304 · protein
Crystal structure of L-rhamnulose kinase from escherichia COLI in complex with L-fructose and ADP.
2CGJ: “Crystal structure of L-rhamnulose kinase from escherichia COLI in complex with L-fructose and ADP.”. X-ray diffraction, 2 ligands (LFR, ADP), 5 pockets (best druggability 0.75). MolNFT v1 #33304 on GenesisL1: 3D structure, binding…
- PDB
- 2CGJ
- Type
- protein
- Length
- 479 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-rhamnulose kinase
- EC
- 2.7.1.5
- UniProt
- Q8X899
- Ligands
- LFR, ADP
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-rhamnulose kinase (EC 2.7.1.5) | protein | 479 | 42% helix, 22% strand | Q8X899 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 443 | 0.75 | 0.84 | 57 | LFR, ADP |
| 2 | 81 | 0.39 | 0.77 | 17 | empty |
| 3 | 71 | 0.32 | 0.75 | 17 | empty |
| 4 | 55 | 0.30 | 0.76 | 16 | empty |
| 5 | 65 | 0.30 | 0.74 | 20 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2CGJ · Crystal Structure of L-rhamnulose kinase from Escherichia coli in complex with L-fructose… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8X899 · AlphaFold monomer V2.0 prediction for rhamnulokinase (Q8X899) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 Q8X899
- Elsewhere: RCSB PDB 2CGJ · PDBe 2CGJ · UniProt Q8X899
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