MolNFT v1 · #31353 · protein
Functional and structural characterization of spl proteases from staphylococcus aureus
2AS9 · Serine protease: “Functional and structural characterization of spl proteases from staphylococcus aureus”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.41). MolNFT v1 #31353 on GenesisL1: 3D structure, binding…
- PDB
- 2AS9
- Type
- protein
- Length
- 402 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine protease
- EC
- 3.4.21.-
- UniProt
- Q53782
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.41
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serine protease (EC 3.4.21.-) | protein | 207 | 11% helix, 38% strand | Q53782 |
| B | Serine protease (EC 3.4.21.-) | protein | 195 | 16% helix, 40% strand | Q53782 |
Ligands and binding sites
- ZN · Zinc ion · metal · 7 copies · chains A, B
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 | 129 | 0.41 | 0.75 | 26 | empty |
| 2 | 94 | 0.34 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 518 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2AS9 · Functional and structural characterization of Spl proteases from staphylococcus aureus · the same entry in another collection · chain A against A, TM-score 1.00
- Q53782 · AlphaFold monomer V2.0 prediction for serine protease splc (Q53782) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 Q53782
- Elsewhere: RCSB PDB 2AS9 · PDBe 2AS9 · UniProt Q53782
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