MolNFT v1 · #22353 · protein
Crystal structure of sortase a from staphylococcus aureus
1T2P: “Crystal structure of sortase a from staphylococcus aureus”. X-ray diffraction, 8 pockets (best druggability 0.67). MolNFT v1 #22353 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1T2P
- Type
- protein
- Length
- 428 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sortase
- UniProt
- Q9S446
- Pockets
- 8 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Sortase | protein | 145 | 10% helix, 43% strand | Q9S446 |
| B | Sortase | protein | 138 | 7% helix, 42% strand | Q9S446 |
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.67 | 0.82 | 43 | empty |
| 2 | 91 | 0.54 | 0.85 | 22 | empty |
| 3 | 172 | 0.48 | 0.76 | 34 | empty |
| 4 | 99 | 0.41 | 0.78 | 20 | empty |
| 5 | 50 | 0.31 | 0.77 | 14 | empty |
Interfaces
3 interfaces between chains.
- B–C · 392 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 391 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 366 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1T2P · Crystal structure of Sortase A from Staphylococcus aureus · 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 Q9S446
- Elsewhere: RCSB PDB 1T2P · PDBe 1T2P · UniProt Q9S446
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