MolNFT v1 · #146289 · protein
Crystal structure of the CAS6 domain of marinomonas mediterranea mmb-1 CAS6-rt-CAS1 fusion protein
6DD5 · Mmb-1 CAS6 fused to maltose binding PROTEIN,CRISPR…: “Crystal structure of the CAS6 domain of marinomonas mediterranea mmb-1 CAS6-rt-CAS1 fusion protein”. X-ray diffraction, 2 ligands (GLC, SO4), 19 pockets (best druggability 0.82).…
- PDB
- 6DD5
- Type
- protein
- Length
- 1,297 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mmb-1 CAS6 fused to maltose binding PROTEIN,CRISPR- associated endonuclease CAS1
- EC
- 3.1.-.-
- UniProt
- P0AEY0, F2K1V9
- Ligands
- GLC, SO4
- Pockets
- 19 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mmb-1 CAS6 fused to maltose binding PROTEIN,CRISPR- associated endonuclease CAS1 (EC 3.1.-.-) | protein | 652 | 39% helix, 23% strand | P0AEY0, F2K1V9 |
| B | Mmb-1 CAS6 fused to maltose binding PROTEIN,CRISPR- associated endonuclease CAS1 (EC 3.1.-.-) | protein | 645 | 40% helix, 23% strand | P0AEY0, F2K1V9 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 17 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1095 | 0.82 | 0.83 | 126 | SO4 |
| 2 | 781 | 0.78 | 0.81 | 66 | GLC, SO4 |
| 3 | 239 | 0.72 | 0.87 | 36 | empty |
| 4 | 328 | 0.71 | 0.84 | 35 | GLC, SO4 |
| 5 | 70 | 0.71 | 0.96 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1423 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6DD5 · Crystal Structure of the Cas6 Domain of Marinomonas mediterranea MMB-1 Cas6-RT-Cas1… · 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 P0AEY0
- Every structure of UniProt F2K1V9
- Elsewhere: RCSB PDB 6DD5 · PDBe 6DD5 · UniProt P0AEY0 · UniProt F2K1V9
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