MolNFT v1 · #166612 · protein + RNA
Cryoem structure of vccascasde-tniq complex
6UVN · CAS6: “Cryoem structure of vccascasde-tniq complex”. Electron microscopy, 1 ligand (ZN), 20 pockets (best druggability 0.85). MolNFT v1 #166612 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6UVN
- Type
- protein + RNA
- Length
- 3,602 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CAS6; CAS8/5; CAS7; Tniq; Crrna; CAS8_HELICALBUNDLE
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 8 distinct chains · 33% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CAS6 | protein | 198 | 27% helix, 26% strand | — |
| B | CAS8/5 | protein | 498 | 23% helix, 23% strand | — |
| G, F, E, H, D | CAS7 | protein | 337 | 25% helix, 25% strand | — |
| C | CAS7 | protein | 308 | 28% helix, 24% strand | — |
| I | Tniq | protein | 383 | 41% helix, 7% strand | — |
| J | Tniq | protein | 389 | 41% helix, 7% strand | — |
| M | Crrna | rna | 60 | — | — |
| N | CAS8_HELICALBUNDLE | protein | 81 | 80% helix, 0% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains I, J
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 | 1138 | 0.85 | 0.86 | 111 | empty |
| 2 | 889 | 0.75 | 0.79 | 67 | empty |
| 3 | 691 | 0.72 | 0.79 | 46 | empty |
| 4 | 540 | 0.71 | 0.80 | 62 | empty |
| 5 | 461 | 0.70 | 0.81 | 37 | empty |
Interfaces
28 interfaces between chains.
- G–F · 2319 Ų buried · 35 hydrogen bonds · protein-protein
- D–C · 2284 Ų buried · 23 hydrogen bonds · protein-protein
- G–H · 2275 Ų buried · 31 hydrogen bonds · protein-protein
- E–D · 2237 Ų buried · 24 hydrogen bonds · protein-protein
- F–E · 2195 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6UVN · CryoEM structure of VcCascasde-TniQ 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
- Elsewhere: RCSB PDB 6UVN · PDBe 6UVN
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