MolNFT v1 · #98315 · protein + DNA
P202 HIN1 in complex with 12-mer dsdna
4L5S · Interferon-activable protein 202: “P202 HIN1 in complex with 12-mer dsdna”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.71). MolNFT v1 #98315 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4L5S
- Type
- protein + DNA
- Length
- 471 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interferon-activable protein 202; 12-mer DNA
- UniProt
- Q9R002
- Ligands
- SO4
- Pockets
- 9 · best druggability 0.71
Structure
x-ray diffraction · 6 distinct chains · 10% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interferon-activable protein 202 | protein | 199 | 10% helix, 42% strand | Q9R002 |
| B | Interferon-activable protein 202 | protein | 198 | 11% helix, 43% strand | Q9R002 |
| C, E, H, I | 12-mer DNA | dna | 11 | — | — |
| D | 12-mer DNA | dna | 12 | — | — |
| F | 12-mer DNA | dna | 9 | — | — |
| G | 12-mer DNA | dna | 9 | — | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, H, B, C, E, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 747 | 0.71 | 0.78 | 67 | empty |
| 2 | 560 | 0.69 | 0.79 | 40 | SO4 |
| 3 | 153 | 0.52 | 0.79 | 25 | empty |
| 4 | 134 | 0.51 | 0.81 | 22 | empty |
| 5 | 126 | 0.49 | 0.80 | 23 | SO4 |
Interfaces
15 interfaces between chains.
- C–E · 485 Ų buried · 44 hydrogen bonds · nucleic-nucleic
- H–I · 448 Ų buried · 52 hydrogen bonds · nucleic-nucleic
- A–I · 378 Ų buried · 4 hydrogen bonds · protein-nucleic
- A–E · 350 Ų buried · 12 hydrogen bonds · protein-nucleic
- B–G · 326 Ų buried · 14 hydrogen bonds · protein-nucleic
Compared structures
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 Q9R002
- Elsewhere: RCSB PDB 4L5S · PDBe 4L5S · UniProt Q9R002
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