MolNFT v1 · #68289 · protein + DNA
Crystal structure of fis bound to 27 bp non consensus sequence DNA F21
3JRH · DNA-binding protein fis: “Crystal structure of fis bound to 27 bp non consensus sequence DNA F21”. X-ray diffraction, 5 pockets (best druggability 0.63). MolNFT v1 #68289 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3JRH
- Type
- protein + DNA
- Length
- 243 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA-binding protein fis; DNA (27-mer)
- UniProt
- P0A6R3
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-binding protein fis | protein | 91 | 58% helix, 11% strand | P0A6R3 |
| B | DNA-binding protein fis | protein | 98 | 58% helix, 12% strand | P0A6R3 |
| C | DNA (27-mer) | dna | 27 | — | — |
| D | DNA (27-mer) | dna | 27 | — | — |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 419 | 0.63 | 0.78 | 38 | empty |
| 2 | 179 | 0.46 | 0.75 | 26 | empty |
| 3 | 105 | 0.38 | 0.76 | 15 | empty |
| 4 | 60 | 0.28 | 0.74 | 14 | empty |
| 5 | 57 | 0.28 | 0.75 | 13 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2308 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1180 Ų buried · 112 hydrogen bonds · nucleic-nucleic
- B–C · 281 Ų buried · 10 hydrogen bonds · protein-nucleic
- A–D · 276 Ų buried · 11 hydrogen bonds · protein-nucleic
- B–D · 241 Ų buried · 5 hydrogen bonds · protein-nucleic
Compared structures
- 3JRH · Crystal structure of Fis bound to 27 bp non consensus sequence DNA F21 · the same entry in another collection · chain A against A, TM-score 1.00
- P0A6R3 · AlphaFold monomer V2.0 prediction for DNA-binding protein fis (P0A6R3) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P0A6R3
- Elsewhere: RCSB PDB 3JRH · PDBe 3JRH · UniProt P0A6R3
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