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Human TBX3, a transcription factor responsible for ulnar-mammary syndrome, bound to a palindromic DNA site

Analyse Human TBX3, a transcription factor responsible for ulnar-mammary syndrome… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1H6F
Type
protein + DNA
Length
418 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
T-box transcription factor TBX3; 5'-D(*TP*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP*…
UniProt
O15119
Ligands
MG
Pockets
5 · best druggability 0.63

Structure

x-ray diffraction · 3 distinct chains · 21% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AT-box transcription factor TBX3protein18421% helix, 36% strandO15119
BT-box transcription factor TBX3protein18620% helix, 36% strandO15119
C, D5'-D(*TP*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP* AP*GP*GP*TP*GP*TP*GP*AP*AP*AP*T)-3'dna24——

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15550.630.7553empty
22950.580.7830empty
32470.550.7731empty
41180.510.8119empty
5620.310.7518empty

Interfaces

6 interfaces between chains.

  • C–D · 970 Ų buried · 73 hydrogen bonds · nucleic-nucleic
  • A–D · 514 Ų buried · 8 hydrogen bonds · protein-nucleic
  • B–C · 507 Ų buried · 7 hydrogen bonds · protein-nucleic
  • B–D · 491 Ų buried · 6 hydrogen bonds · protein-nucleic
  • A–C · 434 Ų buried · 5 hydrogen bonds · protein-nucleic

Compared structures

  • 1H6F · Human TBX3, a transcription factor responsible for ulnar-mammary syndrome, bound to a… · the same entry in another collection · chain A against A, TM-score 1.00
  • O15119 · AlphaFold monomer V2.0 prediction for T-box transcription factor TBX3 (O15119) · a predicted model of the same protein · chain B against A, TM-score 0.99

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