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Tata-binding PROTEIN/TRANSCRIPTION factor (II)B/BRE+TATA-box complex from pyrococcus woesei

Analyse Tata-binding PROTEIN/TRANSCRIPTION factor (II)B/BRE+TATA-box complex from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1D3U
Type
protein + DNA
Length
429 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA 24-mer: BRE+TATA-box; DNA 23-mer: BRE+TATA-box; Tata-binding protein; Transcription…
UniProt
P62001, P61999
Pockets
8 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 48% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CDNA 24-mer: BRE+TATA-boxdna24——
DDNA 23-mer: BRE+TATA-boxdna23——
ATata-binding proteinprotein18123% helix, 36% strandP62001
BTranscription initiation factor iibprotein20171% helix, 0% strandP61999

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12160.740.8943empty
25770.650.7728empty
32610.600.8037empty
4960.530.8427empty
5950.440.7915empty

Interfaces

6 interfaces between chains.

  • C–D · 987 Ų buried · 84 hydrogen bonds · nucleic-nucleic
  • D–A · 817 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–B · 804 Ų buried · 13 hydrogen bonds · protein-protein
  • C–A · 804 Ų buried · 5 hydrogen bonds · protein-nucleic
  • C–B · 594 Ų buried · 15 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1D3U · Tata-binding PROTEIN/TRANSCRIPTION factor (II)B/BRE+TATA-box complex from pyrococcus… · the same entry in another collection · chain C against C, TM-score 1.00
  • P62001 · AlphaFold monomer V2.0 prediction for tata-box-binding protein (P62001) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P61999 · AlphaFold monomer V2.0 prediction for transcription initiation factor iib (P61999) · a predicted model of the same protein · chain B against A, TM-score 0.96

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