MolNFT v1 · #110335 · protein
Structure of TM1797, a CAS1 protein from thermotoga maritima
4XTK · CRISPR-associated endonuclease CAS1: “Structure of TM1797, a CAS1 protein from thermotoga maritima”. X-ray diffraction, 20 pockets (best druggability 0.89). MolNFT v1 #110335 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4XTK
- Type
- protein
- Length
- 2,466 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS1
- EC
- 3.1.-.-
- UniProt
- Q9X2B7
- Pockets
- 20 · best druggability 0.89
Structure
x-ray diffraction · 8 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 311 | 50% helix, 14% strand | Q9X2B7 |
| B | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 309 | 50% helix, 15% strand | Q9X2B7 |
| C | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 298 | 53% helix, 13% strand | Q9X2B7 |
| D | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 311 | 51% helix, 16% strand | Q9X2B7 |
| E | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 319 | 50% helix, 17% strand | Q9X2B7 |
| F | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 314 | 50% helix, 17% strand | Q9X2B7 |
| G | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 304 | 51% helix, 13% strand | Q9X2B7 |
| H | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 300 | 51% helix, 12% strand | Q9X2B7 |
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 980 | 0.89 | 0.91 | 99 | empty |
| 2 | 962 | 0.89 | 0.90 | 90 | empty |
| 3 | 158 | 0.81 | 0.97 | 33 | empty |
| 4 | 1040 | 0.81 | 0.82 | 94 | empty |
| 5 | 170 | 0.80 | 0.96 | 33 | empty |
Interfaces
18 interfaces between chains.
- A–E · 2075 Ų buried · 33 hydrogen bonds · protein-protein
- D–H · 2055 Ų buried · 39 hydrogen bonds · protein-protein
- B–G · 2053 Ų buried · 37 hydrogen bonds · protein-protein
- C–F · 1999 Ų buried · 31 hydrogen bonds · protein-protein
- E–F · 1757 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 4XTK · Structure of TM1797, a CAS1 protein from Thermotoga maritima · the same entry in another collection · chain H against H, TM-score 1.00
- Q9X2B7 · AlphaFold monomer V2.0 prediction for CRISPR-associated endonuclease CAS1 (Q9X2B7) · a predicted model of the same protein · chain D against A, TM-score 0.98
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 Q9X2B7
- Elsewhere: RCSB PDB 4XTK · PDBe 4XTK · UniProt Q9X2B7
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