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HIC2 zinc finger domain in complex with the DNA binding motif-2 of the BCL11A enhancer

Analyse HIC2 zinc finger domain in complex with the DNA binding motif-2 of the BCL11A… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7TXC
Type
protein + DNA
Length
116 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*AP*GP*AP*TP*AP*AP*TP*GP*CP*CP*AP*AP*CP*AP*GP*T)- 3'); DNA…
UniProt
Q96JB3
Ligands
ZN
Pockets
2 · best druggability 0.55

Structure

x-ray diffraction · 3 distinct chains · 40% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*AP*GP*AP*TP*AP*AP*TP*GP*CP*CP*AP*AP*CP*AP*GP*T)- 3')dna16——
BDNA (5'-D(*AP*CP*TP*GP*TP*TP*GP*GP*CP*AP*TP*TP*AP*TP*CP*T)- 3')dna16——
EHypermethylated in cancer 2 proteinprotein8440% helix, 14% strandQ96JB3

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains E

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12390.550.7823empty
2500.530.8916empty

Interfaces

3 interfaces between chains.

  • A–B · 704 Ų buried · 49 hydrogen bonds · nucleic-nucleic
  • B–E · 684 Ų buried · 22 hydrogen bonds · protein-nucleic
  • A–E · 501 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 7TXC · HIC2 zinc finger domain in complex with the DNA binding motif-2 of the BCL11A enhancer · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96JB3 · AlphaFold monomer V2.0 prediction for hypermethylated in cancer 2 protein (Q96JB3) · a predicted model of the same protein · chain E against A, TM-score 0.57

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