Research workbench
Crystal structure of HSF1 DNA-binding domain in complex with 2-site hse DNA in the head-to-head orientation
Analyse Crystal structure of HSF1 DNA-binding domain in complex with 2-site hse DNA in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DCJ
- Type
- protein + DNA
- Length
- 230 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock factor protein 1; DNA (5'-D(*GP*CP*CP*GP*AP*AP*TP*AP*TP*TP*CP*GP*G)-3')
- UniProt
- Q00613
- Ligands
- NA
- Pockets
- 4 · best druggability 0.52
Structure
x-ray diffraction · 4 distinct chains · 40% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock factor protein 1 | protein | 94 | 44% helix, 14% strand | Q00613 |
| B | Heat shock factor protein 1 | protein | 110 | 37% helix, 11% strand | Q00613 |
| C | DNA (5'-D(*GP*CP*CP*GP*AP*AP*TP*AP*TP*TP*CP*GP*G)-3') | dna | 13 | — | — |
| D | DNA (5'-D(*GP*CP*CP*GP*AP*AP*TP*AP*TP*TP*CP*GP*G)-3') | dna | 13 | — | — |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 155 | 0.52 | 0.80 | 22 | empty |
| 2 | 96 | 0.39 | 0.77 | 22 | empty |
| 3 | 83 | 0.38 | 0.77 | 15 | empty |
| 4 | 79 | 0.34 | 0.75 | 17 | empty |
Interfaces
6 interfaces between chains.
- C–D · 586 Ų buried · 56 hydrogen bonds · nucleic-nucleic
- B–C · 562 Ų buried · 12 hydrogen bonds · protein-nucleic
- B–D · 529 Ų buried · 11 hydrogen bonds · protein-nucleic
- A–D · 430 Ų buried · 9 hydrogen bonds · protein-nucleic
- A–C · 374 Ų buried · 9 hydrogen bonds · protein-nucleic
Compared structures
- 7DCJ · Crystal structure of HSF1 DNA-binding domain in complex with 2-site HSE DNA in the… · the same entry in another collection · chain C against C, TM-score 1.00
- Q00613 · AlphaFold monomer V2.0 prediction for heat shock factor protein 1 (Q00613) · a predicted model of the same protein · chain A 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 Q00613
- Elsewhere: RCSB PDB 7DCJ · PDBe 7DCJ · UniProt Q00613
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