Research workbench
Solution structure of the S. aureus sortase a-substrate complex
Analyse Solution structure of the S. aureus sortase a-substrate complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2KID
- Type
- protein
- Length
- 151 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sortase; (PHQ)LPA(B27) peptide
- UniProt
- Q9S446
- Ligands
- PHQ, B27, CA
Structure
solution nmr · 2 distinct chains · 7% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sortase | protein | 148 | 7% helix, 34% strand | Q9S446 |
| C | (PHQ)LPA(B27) peptide | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- PHQ · benzyl chlorocarbonate · ligand · chains A, C
- B27 · (2R,3S) 3-amino-4-mercapto-2-butanol · ligand · chains A, C
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–C · 316 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 3 covalent (covalent ligand).
Compared structures
- 2KID · Solution Structure of the S. Aureus Sortase A-substrate Complex · 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 2KID · PDBe 2KID · UniProt Q9S446
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