Research workbench
Crystal structure of sortase a in complex with a lpetg peptide
Analyse Crystal structure of sortase a in complex with a lpetg peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1T2W
- Type
- protein
- Length
- 427 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class a sortase srta; Peptide leu-pro-glu-thr-gly
- UniProt
- Q9S446
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 10% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Class a sortase srta | protein | 145 | 8% helix, 43% strand | Q9S446 |
| B | Class a sortase srta | protein | 132 | 11% helix, 43% strand | Q9S446 |
| D | Peptide leu-pro-glu-thr-gly | protein | 5 | 0% helix, 0% strand | — |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 353 | 0.63 | 0.79 | 47 | empty |
| 2 | 276 | 0.60 | 0.79 | 49 | empty |
| 3 | 118 | 0.41 | 0.76 | 24 | empty |
| 4 | 69 | 0.32 | 0.75 | 19 | empty |
| 5 | 59 | 0.29 | 0.74 | 15 | empty |
Interfaces
4 interfaces between chains.
- A–B · 418 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 417 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 405 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 295 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1T2W · Crystal Structure of Sortase A in Complex with a LPETG peptide · the same entry in another collection · chain D against D, 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 1T2W · PDBe 1T2W · UniProt Q9S446
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