Research workbench
Crystal structure of S. aureus tars in complex with udp-glcnac
Analyse Crystal structure of S. aureus tars in complex with udp-glcnac in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TZE
- Type
- protein
- Length
- 698 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycosyl transferase
- EC
- 2.4.1.-
- UniProt
- A0A181F8T0
- Ligands
- UD1, MN, SO4
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, E | Glycosyl transferase (EC 2.4.1.-) | protein | 349 | 41% helix, 17% strand | A0A181F8T0 |
Ligands and binding sites
- UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · 2 copies · chains C, E
- MN · Manganese (II) ion · metal · 2 copies · chains C, E
- SO4 · Sulfate ion · ion · 4 copies · chains C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 615 | 0.74 | 0.81 | 50 | MN, SO4, UD1 |
| 2 | 650 | 0.74 | 0.81 | 54 | MN, SO4, UD1 |
| 3 | 66 | 0.36 | 0.77 | 13 | empty |
| 4 | 60 | 0.32 | 0.76 | 16 | empty |
| 5 | 55 | 0.32 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- C–E · 373 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5TZE · Crystal structure of S. aureus TarS in complex with UDP-GlcNAc · the same entry in another collection · chain C against C, 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 A0A181F8T0
- Elsewhere: RCSB PDB 5TZE · PDBe 5TZE · UniProt A0A181F8T0
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