MolNFT v1 · #177420 · protein
Structure of pyrococcus furiosus CAS1CAS2 complex
7EI1 · CRISPR-associated endonuclease CAS1: “Structure of pyrococcus furiosus CAS1CAS2 complex”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #177420 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7EI1
- Type
- protein
- Length
- 5,622 residues
- Chains
- 24
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS1; CRISPR-associated endoribonuclease CAS2
- EC
- 3.1.-.-
- UniProt
- I6TWX9, I6V1H0
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 10 distinct chains · 47% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, O | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 311 | 49% helix, 12% strand | I6TWX9 |
| B, D, F, L | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 308 | 48% helix, 13% strand | I6TWX9 |
| C, E, G, I | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 312 | 43% helix, 13% strand | I6TWX9 |
| H | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 306 | 50% helix, 13% strand | I6TWX9 |
| Q, R, S, T, U, V, W, X | CRISPR-associated endoribonuclease CAS2 (EC 3.1.-.-) | protein | 84 | 24% helix, 32% strand | I6V1H0 |
| K | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 310 | 45% helix, 10% strand | I6TWX9 |
| M | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 314 | 47% helix, 11% strand | I6TWX9 |
| N | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 305 | 48% helix, 13% strand | I6TWX9 |
| J | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 307 | 50% helix, 12% strand | I6TWX9 |
| P | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 306 | 50% helix, 12% strand | I6TWX9 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 172 | 0.82 | 0.97 | 25 | empty |
| 2 | 161 | 0.81 | 0.97 | 30 | empty |
| 3 | 150 | 0.81 | 0.97 | 31 | empty |
| 4 | 999 | 0.81 | 0.82 | 103 | empty |
| 5 | 149 | 0.80 | 0.97 | 29 | empty |
Interfaces
38 interfaces between chains.
- M–N · 2223 Ų buried · 41 hydrogen bonds · protein-protein
- O–P · 2199 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 2156 Ų buried · 36 hydrogen bonds · protein-protein
- K–L · 2151 Ų buried · 31 hydrogen bonds · protein-protein
- C–D · 2134 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 7EI1 · Structure of Pyrococcus furiosus Cas1Cas2 complex · 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 I6TWX9
- Every structure of UniProt I6V1H0
- Elsewhere: RCSB PDB 7EI1 · PDBe 7EI1 · UniProt I6TWX9 · UniProt I6V1H0
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