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Antennapedia homeodomain-DNA complex

Analyse Antennapedia homeodomain-DNA complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
9ANT
Type
protein + DNA
Length
172 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)- 3'); DNA…
UniProt
P02833
Ligands
NI
Pockets
3 · best druggability 0.56

Structure

x-ray diffraction · 3 distinct chains · 70% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, EDNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)- 3')dna15——
D, FDNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)- 3')dna15——
A, BAntennapedia homeodomainprotein5670% helix, 0% strandP02833

Ligands and binding sites

  • NI · Nickel (II) ion · metal · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12210.560.7928empty
22270.550.7827empty
3500.270.7512empty

Interfaces

6 interfaces between chains.

  • C–D · 636 Ų buried · 62 hydrogen bonds · nucleic-nucleic
  • E–F · 633 Ų buried · 59 hydrogen bonds · nucleic-nucleic
  • C–A · 558 Ų buried · 6 hydrogen bonds · protein-nucleic
  • E–B · 509 Ų buried · 6 hydrogen bonds · protein-nucleic
  • F–B · 430 Ų buried · 15 hydrogen bonds · protein-nucleic

Compared structures

  • 9ANT · Antennapedia homeodomain-DNA complex · the same entry in another collection · chain B against B, TM-score 1.00
  • P02833 · AlphaFold monomer V2.0 prediction for homeotic protein antennapedia (P02833) · a predicted model of the same protein · chain B against A, TM-score 0.98

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