MolNFT v1 · #108753 · protein
Crystal structure of lincosamide antibiotic adenylyltransferase lnua, lincomycin-bound
4WH5 · Lincosamide resistance protein: “Crystal structure of lincosamide antibiotic adenylyltransferase lnua, lincomycin-bound”. X-ray diffraction, 3 ligands (3QB, MG, CL), 2 pockets (best druggability 0.57). MolNFT v1 #108753 on…
- PDB
- 4WH5
- Type
- protein
- Length
- 316 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lincosamide resistance protein
- UniProt
- P06107
- Ligands
- 3QB, MG, CL
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lincosamide resistance protein | protein | 158 | 38% helix, 34% strand | P06107 |
Ligands and binding sites
- 3QB · Lincomycin · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 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.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 255 | 0.57 | 0.78 | 32 | MG, 3QB |
| 2 | 262 | 0.56 | 0.77 | 35 | 3QB |
Interfaces
1 interface between chains.
- A–B · 1036 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 4WH5 · Crystal structure of lincosamide antibiotic adenylyltransferase LnuA, lincomycin-bound · the same entry in another collection · chain A against A, TM-score 1.00
- P06107 · AlphaFold monomer V2.0 prediction for lincosamide resistance protein (P06107) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P06107
- Elsewhere: RCSB PDB 4WH5 · PDBe 4WH5 · UniProt P06107
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