MolNFT v1 · #40612 · protein
SPHERICASE
2IXT · 36KDA protease: “SPHERICASE”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.70). MolNFT v1 #40612 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2IXT
- Type
- protein
- Length
- 619 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 36KDA protease
- UniProt
- Q9S3L6
- Ligands
- CA
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 36KDA protease | protein | 309 | 25% helix, 21% strand | Q9S3L6 |
| B | 36KDA protease | protein | 310 | 26% helix, 22% strand | Q9S3L6 |
Ligands and binding sites
- CA · Calcium ion · metal · 10 copies · chains A, B
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 | 831 | 0.70 | 0.76 | 80 | empty |
Interfaces
1 interface between chains.
- A–B · 295 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2IXT · SPHERICASE · 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 Q9S3L6
- Elsewhere: RCSB PDB 2IXT · PDBe 2IXT · UniProt Q9S3L6
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