MolNFT v1 · #107845 · protein
Structure of lipoteichoic acid synthase ltas from listeria monocytogenes in complex with glycerol phosphate
4UOR: “Structure of lipoteichoic acid synthase ltas from listeria monocytogenes in complex with glycerol phosphate”. X-ray diffraction, 2 ligands (GP9, MG), 20 pockets (best druggability 0.74). MolNFT v1 #107845 on GenesisL1: 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
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