MolNFT v1 · #34244 · protein + DNA
Solution structure of a complex between (N-MECYS3,N-MECYS7)TANDEM and (D(GATATC))2
2DA8 · Triostin a: “Solution structure of a complex between (N-MECYS3,N-MECYS7)TANDEM and (D(GATATC))2”. Solution nmr, 1 ligand (QUI). MolNFT v1 #34244 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2DA8
- Type
- protein + DNA
- Length
- 20 residues
- Chains
- 3
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triostin a; DNA (5'-D(*GP*AP*TP*AP*TP*C)-3')
- Ligands
- QUI
Structure
solution nmr · 2 distinct chains · 0% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triostin a | protein | 8 | 0% helix, 25% strand | — |
| C, D | DNA (5'-D(*GP*AP*TP*AP*TP*C)-3') | dna | 6 | — | — |
Ligands and binding sites
- QUI · 2-carboxyquinoxaline · ligand · 2 copies · chains A, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
3 interfaces between chains.
- C–D · 260 Ų buried · 24 hydrogen bonds · nucleic-nucleic
- A–D · 191 Ų buried · 2 hydrogen bonds · protein-nucleic
- A–C · 190 Ų buried · 1 hydrogen bond · protein-nucleic
Modifications
Observed in the structure: 2 covalent, 2 d-amino, 2 modified (covalent ligand, D-amino acid, nonstandard).
Compared structures
- 2DA8 · Solution structure of a complex between (N-MECYS3,N-MECYS7)TANDEM and (D(GATATC))2 · 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 2DA8 · PDBe 2DA8
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