MolNFT v1 · #158456 · protein + RNA
Small conformation of apo CRISPR_CSM complex
6NUE · CRISPR system single-strand-specific deoxyribonuclease…: “Small conformation of apo CRISPR_CSM complex”. Electron microscopy, 1 ligand (ATP), 20 pockets (best druggability 0.86). MolNFT v1 #158456 on GenesisL1: 3D structure, binding…
- PDB
- 6NUE
- Type
- protein + RNA
- Length
- 2,452 residues
- Chains
- 11
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR system single-strand-specific deoxyribonuclease CAS10/CSM1 (subtype III-a); CRISPR…
- EC
- 3.1.-.-, 2.7.7.-
- UniProt
- A0A0A7HFE1, A0A0A7HIX1, A0A0A7HIF0, A0A0A7HGA1
- Ligands
- ATP
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 5 distinct chains · 32% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| J | CRISPR system single-strand-specific deoxyribonuclease CAS10/CSM1 (subtype III-a) (EC 3.1.-.-, 2.7.7.-) | protein | 733 | 38% helix, 8% strand | A0A0A7HFE1 |
| A, B, M | CRISPR system cms protein CSM2 | protein | 108 | 58% helix, 0% strand | A0A0A7HIX1 |
| C, E, N, O, P | CRISPR type III-associated ramp protein CSM3 | protein | 212 | 17% helix, 20% strand | A0A0A7HIF0 |
| H | Crrna | rna | 40 | — | — |
| I | CRISPR type III-associated ramp protein CSM4 | protein | 295 | 17% helix, 19% strand | A0A0A7HGA1 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains J, I
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 | 913 | 0.86 | 0.88 | 94 | empty |
| 2 | 887 | 0.84 | 0.86 | 93 | empty |
| 3 | 264 | 0.83 | 0.95 | 37 | empty |
| 4 | 645 | 0.83 | 0.88 | 63 | empty |
| 5 | 619 | 0.82 | 0.87 | 77 | empty |
Interfaces
33 interfaces between chains.
- J–I · 1905 Ų buried · 16 hydrogen bonds · protein-protein
- H–I · 1589 Ų buried · 40 hydrogen bonds · protein-nucleic
- E–P · 1505 Ų buried · 13 hydrogen bonds · protein-protein
- N–O · 1505 Ų buried · 13 hydrogen bonds · protein-protein
- E–O · 1499 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6NUE · Small conformation of apo CRISPR_Csm complex · the same entry in another collection · chain J against J, 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 A0A0A7HFE1
- Every structure of UniProt A0A0A7HIX1
- Every structure of UniProt A0A0A7HIF0
- Every structure of UniProt A0A0A7HGA1
- Elsewhere: RCSB PDB 6NUE · PDBe 6NUE · UniProt A0A0A7HFE1 · UniProt A0A0A7HIX1 · UniProt A0A0A7HIF0 · UniProt A0A0A7HGA1
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