Research workbench
Tandem chromodomains of human CHD1 in complex with influenza virus NS1 C-terminal tail trimethylated at K229
Analyse Tandem chromodomains of human CHD1 in complex with influenza virus NS1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NW2
- Type
- protein
- Length
- 371 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chromodomain-helicase-DNA-binding protein 1; Nonstructural protein 1
- UniProt
- O14646, T2F8K6
- Ligands
- UNX
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Chromodomain-helicase-DNA-binding protein 1 | protein | 173 | 43% helix, 27% strand | O14646 |
| B | Nonstructural protein 1 | protein | 12 | 0% helix, 0% strand | T2F8K6 |
| D | Nonstructural protein 1 | protein | 13 | 0% helix, 0% strand | T2F8K6 |
Ligands and binding sites
- UNX · Unknown atom or ion · ion · 31 copies · chains A, C, D
- GOL · Glycerol · additive · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1038 | 0.70 | 0.74 | 54 | UNX |
| 2 | 127 | 0.53 | 0.82 | 24 | UNX |
| 3 | 88 | 0.45 | 0.81 | 22 | UNX |
| 4 | 131 | 0.44 | 0.76 | 17 | UNX |
| 5 | 125 | 0.42 | 0.76 | 16 | UNX |
Interfaces
3 interfaces between chains.
- A–C · 550 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 531 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 520 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (methylation).
Compared structures
- 4NW2 · Tandem chromodomains of human CHD1 in complex with Influenza virus NS1 C-terminal tail… · the same entry in another collection · chain A against A, TM-score 1.00
- O14646 · AlphaFold monomer V2.0 prediction for chromodomain-helicase-DNA- binding protein 1… · a predicted model of the same protein · chain C against A, TM-score 0.96
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 O14646
- Every structure of UniProt T2F8K6
- Elsewhere: RCSB PDB 4NW2 · PDBe 4NW2 · UniProt O14646 · UniProt T2F8K6
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