MolNFT v1 · #147322 · protein + RNA
ESCAS13D-crrna binary complex
6E9E · Crrna (52-mer): “ESCAS13D-crrna binary complex”. Electron microscopy, 1 ligand (MG), 13 pockets (best druggability 0.83). MolNFT v1 #147322 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6E9E
- Type
- protein + RNA
- Length
- 914 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crrna (52-mer); ESCAS13D
- UniProt
- B0MS50
- Ligands
- MG
- Pockets
- 13 · best druggability 0.83
Structure
electron microscopy · 2 distinct chains · 54% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Crrna (52-mer) | rna | 51 | — | — |
| A | ESCAS13D | protein | 863 | 54% helix, 4% strand | B0MS50 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 947 | 0.83 | 0.84 | 85 | MG |
| 2 | 363 | 0.78 | 0.88 | 39 | empty |
| 3 | 614 | 0.77 | 0.84 | 63 | empty |
| 4 | 114 | 0.75 | 0.96 | 28 | empty |
| 5 | 106 | 0.73 | 0.94 | 20 | empty |
Interfaces
1 interface between chains.
- B–A · 4353 Ų buried · 72 hydrogen bonds · protein-nucleic
Compared structures
- 6E9E · EsCas13d-crRNA binary complex · the same entry in another collection · chain B against B, 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 B0MS50
- Elsewhere: RCSB PDB 6E9E · PDBe 6E9E · UniProt B0MS50
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