MolNFT v1 · #31678 · protein
Tandem chromodomains of human CHD1 complexed with histone H3 tail containing trimethyllysine 4 and phosphothreonine 3
2B2T · Chromodomain-helicase-DNA-binding protein 1: “Tandem chromodomains of human CHD1 complexed with histone H3 tail containing trimethyllysine 4 and…”. X-ray diffraction, 5 pockets (best druggability 0.86). MolNFT v1 #31678 on…
- PDB
- 2B2T
- Type
- protein
- Length
- 441 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chromodomain-helicase-DNA-binding protein 1; Histone H3 tail
- UniProt
- O14646, P68431
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chromodomain-helicase-DNA-binding protein 1 | protein | 176 | 42% helix, 21% strand | O14646 |
| B | Chromodomain-helicase-DNA-binding protein 1 | protein | 174 | 41% helix, 22% strand | O14646 |
| C | Chromodomain-helicase-DNA-binding protein 1 | protein | 86 | 30% helix, 28% strand | O14646 |
| D | Histone H3 tail | protein | 5 | 0% helix, 0% strand | P68431 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1158 | 0.86 | 0.86 | 123 | empty |
| 2 | 159 | 0.54 | 0.80 | 27 | empty |
| 3 | 119 | 0.51 | 0.81 | 19 | empty |
| 4 | 110 | 0.40 | 0.76 | 18 | empty |
| 5 | 74 | 0.34 | 0.75 | 13 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1349 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 465 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 285 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 278 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered, methylation, phosphorylation).
Compared structures
- 2B2T · Tandem chromodomains of human CHD1 complexed with Histone H3 Tail containing… · 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 B 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 P68431
- Elsewhere: RCSB PDB 2B2T · PDBe 2B2T · UniProt O14646 · UniProt P68431
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