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Crystal structure of tale homeobox domain transcription factor TGIF1 double alanine mutant bound to its consensus DNA

Analyse Crystal structure of tale homeobox domain transcription factor TGIF1 double… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FQQ
Type
protein + DNA
Length
309 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Homeobox protein TGIF1; DNA (5'- D(P*AP*TP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*AP*T)-3')
UniProt
Q15583
Ligands
CL
Pockets
4 · best druggability 0.58

Structure

x-ray diffraction · 4 distinct chains · 70% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHomeobox protein TGIF1protein6072% helix, 0% strandQ15583
L, M, G, HDNA (5'- D(P*AP*TP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*AP*T)-3')dna16——
B, EHomeobox protein TGIF1protein6170% helix, 0% strandQ15583
DHomeobox protein TGIF1protein6368% helix, 0% strandQ15583

Ligands and binding sites

  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12790.580.7821empty
22270.540.7819empty
3610.310.7615empty
4520.300.7613empty

Interfaces

11 interfaces between chains.

  • G–H · 705 Ų buried · 76 hydrogen bonds · nucleic-nucleic
  • L–M · 696 Ų buried · 71 hydrogen bonds · nucleic-nucleic
  • G–E · 426 Ų buried · 12 hydrogen bonds · protein-nucleic
  • G–D · 418 Ų buried · 5 hydrogen bonds · protein-nucleic
  • H–E · 408 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 6FQQ · Crystal structure of TALE homeobox domain transcription factor TGIF1 double alanine… · the same entry in another collection · chain E against E, TM-score 1.00
  • Q15583 · AlphaFold monomer V2.0 prediction for homeobox protein TGIF1 (Q15583) · a predicted model of the same protein · chain D against A, TM-score 0.96

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