MolNFT v1 · #95156 · protein + DNA
Crystal structure of fis bound to 27 bp 2-aminopurine substituted DNA F28-2AP (AAATTTGTTTGA2T2TTGAGCAAATTT)
4IHX · DNA-binding protein fis: “Crystal structure of fis bound to 27 bp 2-aminopurine substituted DNA F28-2AP (AAATTTGTTTGA2T2TTGAGCAAATTT)”. X-ray diffraction, 4 pockets (best druggability 0.61). MolNFT v1 #95156 on GenesisL1: 3D…
- PDB
- 4IHX
- 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; 27-bp DNA strand a; 27-bp DNA strand B
- UniProt
- C9QXL3
- Pockets
- 4 · best druggability 0.61
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-binding protein fis | protein | 91 | 58% helix, 11% strand | C9QXL3 |
| B | DNA-binding protein fis | protein | 98 | 57% helix, 10% strand | C9QXL3 |
| C | 27-bp DNA strand a | dna | 27 | — | — |
| D | 27-bp DNA strand B | dna | 27 | — | — |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 426 | 0.61 | 0.77 | 36 | empty |
| 2 | 178 | 0.45 | 0.75 | 26 | empty |
| 3 | 167 | 0.43 | 0.74 | 25 | empty |
| 4 | 102 | 0.40 | 0.76 | 15 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2294 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1189 Ų buried · 107 hydrogen bonds · nucleic-nucleic
- B–C · 289 Ų buried · 11 hydrogen bonds · protein-nucleic
- A–D · 289 Ų buried · 10 hydrogen bonds · protein-nucleic
- A–C · 266 Ų buried · 5 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 3 modified (nucleotide modification).
Compared structures
- 4IHX · Crystal structure of Fis bound to 27 bp 2-Aminopurine substituted DNA F28-2AP… · the same entry in another collection · chain B against B, 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 C9QXL3
- Elsewhere: RCSB PDB 4IHX · PDBe 4IHX · UniProt C9QXL3
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