Research workbench
Crystal structure of sortase B complexed with E-64
Analyse Crystal structure of sortase B complexed with E-64 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1QX6
- Type
- protein
- Length
- 214 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Npqtn specific sortase B
- UniProt
- Q8NX63
- Ligands
- E64
- Pockets
- 2 · best druggability 0.30
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Npqtn specific sortase B | protein | 214 | 26% helix, 28% strand | Q8NX63 |
Ligands and binding sites
- E64 · N-[N-[1-hydroxycarboxyethyl-carbonyl]leucylamino-butyl]-guanidine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.30 | 0.74 | 15 | E64 |
| 2 | 52 | 0.28 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 5 modified, 1 covalent (engineered, covalent ligand).
Compared structures
- 1QX6 · Crystal structure of Sortase B complexed with E-64 · 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 Q8NX63
- Elsewhere: RCSB PDB 1QX6 · PDBe 1QX6 · UniProt Q8NX63
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