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Antitoxin phd from phage P1 in complex with its operator DNA inverted repeat in a monoclinic space group

Analyse Antitoxin phd from phage P1 in complex with its operator DNA inverted repeat in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ZM2
Type
protein + DNA
Length
276 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antitoxin phd; DNA (5'-D(GP*CP*TP*TP*GP*TP*GP*TP*AP*CP*AP*CP*AP*T)-3'); DNA…
UniProt
Q06253
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 7 distinct chains · 48% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAntitoxin phdprotein5250% helix, 33% strandQ06253
BAntitoxin phdprotein6148% helix, 21% strandQ06253
CAntitoxin phdprotein5547% helix, 24% strandQ06253
DAntitoxin phdprotein5349% helix, 25% strandQ06253
E, GDNA (5'-D(GP*CP*TP*TP*GP*TP*GP*TP*AP*CP*AP*CP*AP*T)-3')dna14——
FDNA (5'-D(CP*AP*TP*GP*TP*GP*TP*AP*CP*AP*CP*AP*AP*G)-3')dna14——
HDNA (5'-D(CP*AP*TP*GP*TP*GP*TP*AP*CP*AP*CP*AP*AP*G)-3')dna13——

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1630.720.9719empty
22370.590.8030empty
3970.450.8020empty
4570.260.749empty

Interfaces

16 interfaces between chains.

  • A–B · 1337 Ų buried · 20 hydrogen bonds · protein-protein
  • C–D · 1337 Ų buried · 21 hydrogen bonds · protein-protein
  • E–F · 593 Ų buried · 47 hydrogen bonds · nucleic-nucleic
  • G–H · 567 Ų buried · 39 hydrogen bonds · nucleic-nucleic
  • D–E · 415 Ų buried · 15 hydrogen bonds · protein-nucleic

Compared structures

  • 4ZM2 · Antitoxin Phd from phage P1 in complex with its operator DNA inverted repeat in a… · the same entry in another collection · chain A against A, TM-score 1.00

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