Research workbench
Crystal structures of an a-T-HOOK/DNA complex
Analyse Crystal structures of an a-T-HOOK/DNA complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UXW
- Type
- protein + DNA
- Length
- 130 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dodecamer DNA; A-T hook peptide
- Ligands
- NH2
- Pockets
- 1 · best druggability 0.43
Structure
x-ray diffraction · 3 distinct chains · 0% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Dodecamer DNA | dna | 12 | — | — |
| K, M | A-T hook peptide | protein | 9 | 0% helix, 0% strand | — |
| L, N | A-T hook peptide | protein | 8 | 0% helix, 0% strand | — |
Ligands and binding sites
- NH2 · Amino group · ion · 4 copies · chains A, K, C, L, M, N
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 206 | 0.43 | 0.73 | 26 | empty |
Interfaces
19 interfaces between chains.
- C–D · 555 Ų buried · 50 hydrogen bonds · nucleic-nucleic
- A–B · 554 Ų buried · 48 hydrogen bonds · nucleic-nucleic
- G–H · 549 Ų buried · 43 hydrogen bonds · nucleic-nucleic
- E–F · 547 Ų buried · 47 hydrogen bonds · nucleic-nucleic
- A–N · 354 Ų buried · 8 hydrogen bonds · protein-nucleic
Compared structures
- 3UXW · Crystal Structures of an A-T-hook/DNA complex · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 3UXW · PDBe 3UXW
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