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Structure of a. thaliana tbp bound to a DNA site with a C-C mismatch

Analyse Structure of a. thaliana tbp bound to a DNA site with a C-C mismatch in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6UEP
Type
protein + DNA
Length
434 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tata-box-binding protein 1; DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3'); DNA…
UniProt
P28147
Pockets
3 · best druggability 0.73

Structure

x-ray diffraction · 4 distinct chains · 25% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BTata-box-binding protein 1protein19125% helix, 35% strandP28147
E, CDNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3')dna14——
F, DDNA (5'-D(*TP*GP*CP*CP*CP*CP*TP*TP*TP*AP*TP*AP*GP*C)-3')dna14——
ATata-box-binding protein 1protein18726% helix, 34% strandP28147

Ligands and binding sites

  • FMT · Formic acid · additive · 3 copies · chains B, E, F, C, D
  • GOL · Glycerol · additive · 2 copies · chains C, D, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19580.730.7748GOL
2560.610.9318empty
33180.580.7729empty

Interfaces

12 interfaces between chains.

  • B–E · 815 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–C · 802 Ų buried · 6 hydrogen bonds · protein-nucleic
  • A–D · 770 Ų buried · 8 hydrogen bonds · protein-nucleic
  • B–F · 763 Ų buried · 8 hydrogen bonds · protein-nucleic
  • E–F · 634 Ų buried · 54 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6UEP · Structure of A. thaliana TBP bound to a DNA site with a C-C mismatch · the same entry in another collection · chain D against D, TM-score 1.00
  • P28147 · AlphaFold monomer V2.0 prediction for tata-box-binding protein 1 (P28147) · a predicted model of the same protein · chain A against A, TM-score 0.99

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