MolNFT v1 · #52605 · protein
Structure-based mechanism of lipoteichoic acid synthesis by staphylococcus aureus ltas.
2W5T · Processed glycerol phosphate lipoteichoic acid synthase: “Structure-based mechanism of lipoteichoic acid synthesis by staphylococcus aureus ltas.”. X-ray diffraction, 2 ligands (GP9, MN), 3 pockets (best druggability 0.52). MolNFT…
- PDB
- 2W5T
- Type
- protein
- Length
- 424 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Processed glycerol phosphate lipoteichoic acid synthase
- UniProt
- Q7A1I3
- Ligands
- GP9, MN
- Pockets
- 3 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Processed glycerol phosphate lipoteichoic acid synthase | protein | 424 | 38% helix, 15% strand | Q7A1I3 |
Ligands and binding sites
- GP9 · (2R)-2,3-dihydroxypropyl phosphate · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
- ACT · Acetate ion · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 136 | 0.52 | 0.80 | 19 | empty |
| 2 | 85 | 0.40 | 0.78 | 24 | GP9 |
| 3 | 74 | 0.29 | 0.73 | 13 | empty |
Compared structures
- 2W5T · Structure-based mechanism of lipoteichoic acid synthesis by Staphylococcus aureus LtaS. · the same entry in another collection · chain A against A, TM-score 1.00
- Q7A1I3 · AlphaFold monomer V2.0 prediction for lipoteichoic acid synthase (Q7A1I3) · 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 Q7A1I3
- Elsewhere: RCSB PDB 2W5T · PDBe 2W5T · UniProt Q7A1I3
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