Research workbench
Structure of lipoteichoic acid synthase ltas from listeria monocytogenes in complex with glycerol phosphate
Analyse Structure of lipoteichoic acid synthase ltas from listeria monocytogenes in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UOR
- Type
- protein
- Length
- 4,591 residues
- Chains
- 11
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipoteichoic acid synthase
- EC
- 2.7.8.-
- UniProt
- Q8Y8H6
- Ligands
- GP9, MG
- Pockets
- 20 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, E, G, H, I | Lipoteichoic acid synthase (EC 2.7.8.-) | protein | 418 | 36% helix, 16% strand | Q8Y8H6 |
| C, D, F | Lipoteichoic acid synthase (EC 2.7.8.-) | protein | 417 | 36% helix, 16% strand | Q8Y8H6 |
| J | Lipoteichoic acid synthase (EC 2.7.8.-) | protein | 417 | 36% helix, 16% strand | Q8Y8H6 |
| K | Lipoteichoic acid synthase (EC 2.7.8.-) | protein | 415 | 36% helix, 15% strand | Q8Y8H6 |
Ligands and binding sites
- GP9 · (2R)-2,3-dihydroxypropyl phosphate · ligand · 11 copies · chains A, B, C, F, D, E, G, H, I, J, K
- MG · Magnesium ion · metal · 11 copies · chains A, B, C, D, E, F, G, H, I, J, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 879 | 0.74 | 0.78 | 83 | empty |
| 2 | 814 | 0.74 | 0.78 | 71 | empty |
| 3 | 1191 | 0.74 | 0.77 | 98 | empty |
| 4 | 733 | 0.73 | 0.79 | 68 | empty |
| 5 | 607 | 0.72 | 0.80 | 67 | empty |
Interfaces
17 interfaces between chains.
- H–I · 817 Ų buried · 15 hydrogen bonds · protein-protein
- A–F · 782 Ų buried · 15 hydrogen bonds · protein-protein
- C–E · 763 Ų buried · 13 hydrogen bonds · protein-protein
- B–E · 760 Ų buried · 14 hydrogen bonds · protein-protein
- C–G · 727 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 modified (phosphorylation).
Compared structures
- 4UOR · Structure of lipoteichoic acid synthase LtaS from Listeria monocytogenes in complex with… · the same entry in another collection · 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 Q8Y8H6
- Elsewhere: RCSB PDB 4UOR · PDBe 4UOR · UniProt Q8Y8H6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.