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MolNFT v1 · #166061 · protein + DNA

Crystal form 2: structure of tbp bound to C-C mismatch at pH 7

6UER · Tata-box-binding protein 1: “Crystal form 2: structure of tbp bound to C-C mismatch at pH 7”. X-ray diffraction, 2 pockets (best druggability 0.74). MolNFT v1 #166061 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6UER
Type
protein + DNA
Length
430 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
2 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 25% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTata-box-binding protein 1protein18725% helix, 36% strandP28147
C, EDNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3')dna14——
D, FDNA (5'-D(*TP*GP*CP*CP*CP*CP*TP*TP*TP*AP*TP*AP*GP*C)-3')dna14——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19820.740.7854empty
24350.590.7543empty

Interfaces

12 interfaces between chains.

  • B–E · 805 Ų buried · 5 hydrogen bonds · protein-nucleic
  • A–C · 783 Ų buried · 6 hydrogen bonds · protein-nucleic
  • B–F · 773 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–D · 760 Ų buried · 6 hydrogen bonds · protein-nucleic
  • E–F · 630 Ų buried · 50 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6UER · Crystal form 2: Structure of TBP bound to C-C mismatch at pH 7 · 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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