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MolNFT v1 · #17497 · protein + DNA

NMR structure of ACTD/5'-ccgttttgtgg-3' complex

1OVF · (5'-D(*CP*CP*GP*TP*TP*TP*TP*GP*TP*GP*G)-3'): “NMR structure of ACTD/5'-ccgttttgtgg-3' complex”. Solution nmr, 1 ligand (PXZ). MolNFT v1 #17497 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1OVF
Type
protein + DNA
Length
21 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
(5'-D(*CP*CP*GP*TP*TP*TP*TP*GP*TP*GP*G)-3'); Actinomycin D
Ligands
PXZ

Structure

solution nmr · 2 distinct chains · 0% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A(5'-D(*CP*CP*GP*TP*TP*TP*TP*GP*TP*GP*G)-3')dna11——
BActinomycin Dprotein100% helix, 20% strand—

Ligands and binding sites

  • PXZ · 2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-phenoxazin-3-one · ligand · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

1 interface between chains.

  • A–B · 458 Ų buried · 5 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 4 modified, 2 covalent, 2 d-amino (methylation, covalent ligand, D-amino acid).

Compared structures

  • 1OVF · NMR Structure of ActD/5'-CCGTTTTGTGG-3' Complex · the same entry in another collection · chain B against B, TM-score 1.00

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