MolNFT v1 · #54339 · protein
Structural and mechanistic analysis of the magnesium-independent aromatic prenyltransferase cloq from the clorobiocin biosynthetic pathway
2XLQ: “Structural and mechanistic analysis of the magnesium-independent aromatic prenyltransferase cloq from the…”. X-ray diffraction, 1 ligand (34H), 3 pockets (best druggability 0.75). MolNFT v1 #54339 on GenesisL1: 3D structure, binding…
- PDB
- 2XLQ
- Type
- protein
- Length
- 316 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cloq
- UniProt
- Q8GHB2
- Ligands
- 34H
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cloq | protein | 316 | 35% helix, 27% strand | Q8GHB2 |
Ligands and binding sites
- 34H · (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid · ligand · chains A
- FMT · Formic acid · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 79 | 0.75 | 0.97 | 25 | 34H |
| 2 | 236 | 0.65 | 0.84 | 36 | empty |
| 3 | 50 | 0.30 | 0.76 | 14 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2XLQ · Structural and Mechanistic Analysis of the Magnesium-Independent Aromatic… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8GHB2 · AlphaFold monomer V2.0 prediction for 4-hydroxyphenylpyruvate 3-dimethylallyltransferase… · 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 Q8GHB2
- Elsewhere: RCSB PDB 2XLQ · PDBe 2XLQ · UniProt Q8GHB2
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