Research workbench
CAS1-CAS2-ihf-DNA holo-complex
Analyse CAS1-CAS2-ihf-DNA holo-complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5WFE
- Type
- protein + DNA
- Length
- 1,657 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS1; CRISPR-associated endoribonuclease CAS2; DNA…
- EC
- 3.1.-.-
- UniProt
- Q46896, P45956, B7MAS3, B7MHM1
- Pockets
- 20 · best druggability 0.82
Structure
electron microscopy · 11 distinct chains · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 262 | 52% helix, 12% strand | Q46896 |
| B | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 279 | 52% helix, 15% strand | Q46896 |
| C | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 256 | 52% helix, 12% strand | Q46896 |
| D | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 272 | 55% helix, 14% strand | Q46896 |
| E, F | CRISPR-associated endoribonuclease CAS2 (EC 3.1.-.-) | protein | 94 | 26% helix, 46% strand | P45956 |
| G | DNA (28-mer) | dna | 28 | — | — |
| H | DNA (45-mer) | dna | 45 | — | — |
| I | DNA (76-mer) | dna | 77 | — | — |
| J | DNA (61-mer) | dna | 60 | — | — |
| K | Integration host factor subunit alpha | protein | 96 | 42% helix, 23% strand | B7MAS3 |
| L | Integration host factor subunit beta | protein | 94 | 40% helix, 27% strand | B7MHM1 |
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 611 | 0.82 | 0.87 | 50 | empty |
| 2 | 785 | 0.79 | 0.83 | 48 | empty |
| 3 | 290 | 0.78 | 0.90 | 39 | empty |
| 4 | 600 | 0.76 | 0.83 | 46 | empty |
| 5 | 737 | 0.76 | 0.81 | 83 | empty |
Interfaces
36 interfaces between chains.
- I–J · 2555 Ų buried · 174 hydrogen bonds · nucleic-nucleic
- K–L · 2464 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 1672 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1658 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 1222 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5WFE · Cas1-Cas2-IHF-DNA holo-complex · the same entry in another collection · chain G against G, 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 Q46896
- Every structure of UniProt P45956
- Every structure of UniProt B7MAS3
- Every structure of UniProt B7MHM1
- Elsewhere: RCSB PDB 5WFE · PDBe 5WFE · UniProt Q46896 · UniProt P45956 · UniProt B7MAS3 · UniProt B7MHM1
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