MolNFT v1 · #188034 · protein + DNA
Brxr from acinetobacter brex type I phage restriction system bound to DNA
7T8K: “Brxr from acinetobacter brex type I phage restriction system bound to DNA”. X-ray diffraction, 1 ligand (CL), 9 pockets (best druggability 0.84). MolNFT v1 #188034 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7T8K
- Type
- protein + DNA
- Length
- 613 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Brxr; DNA
- UniProt
- A0A7H8SL41
- Ligands
- CL
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 37% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Brxr | protein | 286 | 36% helix, 25% strand | A0A7H8SL41 |
| B | Brxr | protein | 277 | 37% helix, 25% strand | A0A7H8SL41 |
| C | DNA | dna | 25 | — | — |
| D | DNA | dna | 25 | — | — |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 568 | 0.84 | 0.90 | 56 | empty |
| 2 | 831 | 0.77 | 0.80 | 75 | EDO |
| 3 | 373 | 0.64 | 0.79 | 41 | empty |
| 4 | 61 | 0.61 | 0.91 | 23 | empty |
| 5 | 99 | 0.56 | 0.85 | 24 | CL |
Interfaces
6 interfaces between chains.
- A–B · 4184 Ų buried · 57 hydrogen bonds · protein-protein
- C–D · 1124 Ų buried · 91 hydrogen bonds · nucleic-nucleic
- B–C · 508 Ų buried · 14 hydrogen bonds · protein-nucleic
- A–D · 447 Ų buried · 11 hydrogen bonds · protein-nucleic
- B–D · 445 Ų buried · 8 hydrogen bonds · protein-nucleic
Compared structures
- 7T8K · BrxR from Acinetobacter BREX type I phage restriction system bound to DNA · 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
- Every structure of UniProt A0A7H8SL41
- Elsewhere: RCSB PDB 7T8K · PDBe 7T8K · UniProt A0A7H8SL41
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