MolNFT v1 · #185223 · protein + DNA + RNA
Cryo-EM structure of SHCAS12K in complex with a sgrna and a dsdna target
7PLA: “Cryo-EM structure of SHCAS12K in complex with a sgrna and a dsdna target”. Electron microscopy, 18 pockets (best druggability 0.78). MolNFT v1 #185223 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7PLA
- Type
- protein + DNA + RNA
- Length
- 681 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SHCAS12K; Sgrna; DNA target strand; DNA non-target strand
- Pockets
- 18 · best druggability 0.78
Structure
electron microscopy · 4 distinct chains · 51% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SHCAS12K | protein | 437 | 51% helix, 18% strand | — |
| B | Sgrna | rna | 217 | — | — |
| C | DNA target strand | dna | 17 | — | — |
| D | DNA non-target strand | dna | 10 | — | — |
Pockets
18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1142 | 0.78 | 0.81 | 65 | empty |
| 2 | 114 | 0.76 | 0.95 | 25 | empty |
| 3 | 983 | 0.75 | 0.78 | 56 | empty |
| 4 | 732 | 0.72 | 0.79 | 53 | empty |
| 5 | 190 | 0.72 | 0.90 | 26 | empty |
Interfaces
5 interfaces between chains.
- A–B · 3589 Ų buried · 71 hydrogen bonds · protein-nucleic
- A–C · 1126 Ų buried · 27 hydrogen bonds · protein-nucleic
- A–D · 746 Ų buried · 19 hydrogen bonds · protein-nucleic
- C–D · 430 Ų buried · 50 hydrogen bonds · nucleic-nucleic
- B–C · 378 Ų buried · 38 hydrogen bonds · nucleic-nucleic
Compared structures
- 7PLA · Cryo-EM structure of ShCas12k in complex with a sgRNA and a dsDNA target · 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 7PLA · PDBe 7PLA
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