Research workbench
CAS6 (TTHA0078) H37A mutant
Analyse CAS6 (TTHA0078) H37A mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4C97
- Type
- protein
- Length
- 466 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CAS6A
- UniProt
- Q5SM65
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CAS6A | protein | 233 | 33% helix, 35% strand | Q5SM65 |
| B | CAS6A | protein | 233 | 33% helix, 35% strand | Q5SM65 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 362 | 0.62 | 0.77 | 48 | empty |
| 2 | 115 | 0.38 | 0.74 | 20 | empty |
| 3 | 97 | 0.35 | 0.74 | 23 | empty |
| 4 | 109 | 0.33 | 0.72 | 18 | empty |
| 5 | 56 | 0.30 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 575 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4C97 · Cas6 (TTHA0078) H37A mutant · 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 Q5SM65
- Elsewhere: RCSB PDB 4C97 · PDBe 4C97 · UniProt Q5SM65
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