MolNFT v1 · #19267 · protein
Synthesis and structure of proline ring modified actinomycins of X type
1QFI · Actinomycin X2: “Synthesis and structure of proline ring modified actinomycins of X type”. X-ray diffraction, 2 ligands (EEE, PXZ). MolNFT v1 #19267 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1QFI
- Type
- protein
- Length
- 30 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actinomycin X2
- Ligands
- EEE, PXZ
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Actinomycin X2 | protein | 10 | 0% helix, 20% strand | — |
Ligands and binding sites
- EEE · Ethyl acetate · ligand · 7 copies · chains A, C
- PXZ · 2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-phenoxazin-3-one · ligand · 3 copies · chains A, B, C
- MOH · Methanol · additive · 5 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
2 interfaces between chains.
- A–C · 117 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 84 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 modified, 6 covalent, 6 d-amino (methylation, covalent ligand, D-amino acid, nonstandard).
Compared structures
- 1QFI · Synthesis and structure of proline ring modified actinomycins of X type · 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 1QFI · PDBe 1QFI
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