MolNFT v1 · #134382 · protein + DNA
Engineered variant of I-onui meganuclease targeting the human tcra gene; harbors 43 point mutations relative to wild-type I-onui
5T2H · I-ONUI_E-htcra: “Engineered variant of I-onui meganuclease targeting the human tcra gene; harbors 43 point mutations relative…”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.70). MolNFT v1 #134382 on GenesisL1…
- PDB
- 5T2H
- Type
- protein + DNA
- Length
- 346 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- I-ONUI_E-htcra; DNA (26-mer)
- Ligands
- CA
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 48% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | I-ONUI_E-htcra | protein | 296 | 48% helix, 23% strand | — |
| B | DNA (26-mer) | dna | 25 | — | — |
| C | DNA (26-mer) | dna | 25 | — | — |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 142 | 0.70 | 0.90 | 27 | empty |
| 2 | 307 | 0.61 | 0.79 | 39 | CA |
| 3 | 55 | 0.33 | 0.78 | 13 | empty |
| 4 | 59 | 0.28 | 0.74 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1663 Ų buried · 37 hydrogen bonds · protein-nucleic
- A–C · 1593 Ų buried · 28 hydrogen bonds · protein-nucleic
- B–C · 1251 Ų buried · 114 hydrogen bonds · nucleic-nucleic
Compared structures
- 5T2H · Engineered variant of I-OnuI meganuclease targeting the Human TCRa gene; harbors 43 point… · 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 5T2H · PDBe 5T2H
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