MolNFT v1 · #178213 · protein
Crystal structure of housekeeping sortase srta bound with self derived tripeptide from lactobacillus rhamnosus gg
7F87 · Class a sortase: “Crystal structure of housekeeping sortase srta bound with self derived tripeptide from lactobacillus…”. X-ray diffraction, 1 ligand (PO4), 1 pocket (best druggability 0.52). MolNFT v1 #178213 on GenesisL1: 3D…
- PDB
- 7F87
- Type
- protein
- Length
- 296 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class a sortase; Self derived peptide
- UniProt
- A0A0E3D3H8
- Ligands
- PO4
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Class a sortase | protein | 145 | 17% helix, 42% strand | A0A0E3D3H8 |
| F, G | Self derived peptide | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.52 | 0.73 | 38 | empty |
Interfaces
3 interfaces between chains.
- A–B · 655 Ų buried · 5 hydrogen bonds · protein-protein
- B–G · 297 Ų buried · 2 hydrogen bonds · protein-protein
- A–F · 284 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 7F87 · Crystal structure of housekeeping sortase SrtA bound with self derived tripeptide from… · 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 A0A0E3D3H8
- Elsewhere: RCSB PDB 7F87 · PDBe 7F87 · UniProt A0A0E3D3H8
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