Research workbench
Crystal structure of T. fusca CAS3
Analyse Crystal structure of T. fusca CAS3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QQW
- Type
- protein + DNA
- Length
- 3,644 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated helicase, CAS3 family; DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3…
- UniProt
- Q47PJ0
- Ligands
- FE
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 5 distinct chains · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated helicase, CAS3 family | protein | 911 | 44% helix, 14% strand | Q47PJ0 |
| B, D, F, H | DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3') | dna | 9 | — | — |
| C | CRISPR-associated helicase, CAS3 family | protein | 902 | 44% helix, 14% strand | Q47PJ0 |
| E | CRISPR-associated helicase, CAS3 family | protein | 897 | 44% helix, 14% strand | Q47PJ0 |
| G | CRISPR-associated helicase, CAS3 family | protein | 898 | 45% helix, 14% strand | Q47PJ0 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 1111 | 0.88 | 0.90 | 125 | empty |
| 2 | 1076 | 0.88 | 0.90 | 127 | empty |
| 3 | 1186 | 0.88 | 0.89 | 130 | empty |
| 4 | 819 | 0.87 | 0.89 | 93 | empty |
| 5 | 1080 | 0.80 | 0.82 | 84 | empty |
Interfaces
12 interfaces between chains.
- A–C · 1823 Ų buried · 11 hydrogen bonds · protein-protein
- E–G · 1650 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 1506 Ų buried · 32 hydrogen bonds · protein-nucleic
- E–F · 1497 Ų buried · 32 hydrogen bonds · protein-nucleic
- A–B · 1490 Ų buried · 34 hydrogen bonds · protein-nucleic
Compared structures
- 4QQW · Crystal structure of T. fusca Cas3 · 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 Q47PJ0
- Elsewhere: RCSB PDB 4QQW · PDBe 4QQW · UniProt Q47PJ0
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