MolNFT v1 · #98911 · protein + DNA
Crystal structure of IFI202 hina domain in complex with 20BP dsdna
4LNQ · Interferon-activable protein 202: “Crystal structure of IFI202 hina domain in complex with 20BP dsdna”. X-ray diffraction, 9 pockets (best druggability 0.68). MolNFT v1 #98911 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4LNQ
- Type
- protein + DNA
- Length
- 427 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interferon-activable protein 202; 20BP DNA
- UniProt
- Q9R002
- Pockets
- 9 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 11% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interferon-activable protein 202 | protein | 195 | 9% helix, 43% strand | Q9R002 |
| B | Interferon-activable protein 202 | protein | 192 | 13% helix, 44% strand | Q9R002 |
| C, D | 20BP DNA | dna | 20 | — | — |
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 | 470 | 0.68 | 0.79 | 35 | empty |
| 2 | 443 | 0.65 | 0.78 | 41 | empty |
| 3 | 588 | 0.65 | 0.76 | 67 | empty |
| 4 | 347 | 0.53 | 0.73 | 45 | empty |
| 5 | 96 | 0.48 | 0.81 | 20 | empty |
Interfaces
5 interfaces between chains.
- C–D · 911 Ų buried · 89 hydrogen bonds · nucleic-nucleic
- B–D · 365 Ų buried · 8 hydrogen bonds · protein-nucleic
- A–C · 364 Ų buried · 10 hydrogen bonds · protein-nucleic
- B–C · 283 Ų buried · 7 hydrogen bonds · protein-nucleic
- A–D · 276 Ų buried · 8 hydrogen bonds · protein-nucleic
Compared structures
- 4LNQ · Crystal structure of Ifi202 HINa domain in complex with 20bp dsDNA · the same entry in another collection · chain A against A, TM-score 1.00
- Q9R002 · AlphaFold monomer V2.0 prediction for interferon-activable protein 202 (Q9R002) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 4LNQ · PDBe 4LNQ · UniProt Q9R002
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