MolNFT v1 · #156122 · protein + DNA + RNA
Crystal structure of CAS12I2 ternary complex with 12 nt spacer
6LU0: “Crystal structure of CAS12I2 ternary complex with 12 nt spacer”. X-ray diffraction, 17 pockets (best druggability 0.77). MolNFT v1 #156122 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6LU0
- Type
- protein + DNA + RNA
- Length
- 997 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CAS12I2; Crrna; DNA (5'-D(*GP*CP*CP*GP*CP*TP*TP*TP*CP*TP*T)-3'); DNA (5'…
- Pockets
- 17 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CAS12I2 | protein | 937 | 47% helix, 16% strand | — |
| B | Crrna | rna | 33 | — | — |
| D | DNA (5'-D(*GP*CP*CP*GP*CP*TP*TP*TP*CP*TP*T)-3') | dna | 10 | — | — |
| C | DNA (5'- D(*GP*CP*TP*TP*GP*CP*TP*CP*TP*GP*TP*TP*GP*AP*AP*AP*GP*CP*GP*GP*C)- 3') | dna | 17 | — | — |
Pockets
17 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 739 | 0.77 | 0.81 | 51 | empty |
| 2 | 613 | 0.75 | 0.82 | 59 | empty |
| 3 | 896 | 0.72 | 0.77 | 58 | empty |
| 4 | 75 | 0.71 | 0.97 | 23 | empty |
| 5 | 117 | 0.62 | 0.87 | 18 | empty |
Interfaces
5 interfaces between chains.
- A–B · 3785 Ų buried · 114 hydrogen bonds · protein-nucleic
- A–C · 1089 Ų buried · 14 hydrogen bonds · protein-nucleic
- A–D · 867 Ų buried · 16 hydrogen bonds · protein-nucleic
- D–C · 401 Ų buried · 33 hydrogen bonds · nucleic-nucleic
- B–C · 395 Ų buried · 31 hydrogen bonds · nucleic-nucleic
Compared structures
- 6LU0 · Crystal structure of Cas12i2 ternary complex with 12 nt spacer · 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 6LU0 · PDBe 6LU0
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