MolNFT v1 · #15809 · protein
2.0 a crystal structure of staphylococcus aureus sortase B
1NG5: “2.0 a crystal structure of staphylococcus aureus sortase B”. X-ray diffraction, 5 pockets (best druggability 0.81). MolNFT v1 #15809 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1NG5
- Type
- protein
- Length
- 417 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sortase B
- UniProt
- Q7A650
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sortase B | protein | 211 | 27% helix, 29% strand | Q7A650 |
| B | Sortase B | protein | 206 | 26% helix, 28% strand | Q7A650 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1084 | 0.81 | 0.82 | 90 | empty |
| 2 | 105 | 0.39 | 0.75 | 22 | empty |
| 3 | 123 | 0.39 | 0.74 | 20 | empty |
| 4 | 55 | 0.34 | 0.78 | 15 | empty |
| 5 | 61 | 0.27 | 0.72 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 566 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1NG5 · 2.0 A crystal structure of Staphylococcus aureus Sortase B · 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 Q7A650
- Elsewhere: RCSB PDB 1NG5 · PDBe 1NG5 · UniProt Q7A650
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