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MolNFT v1 · #106079 · protein + DNA

Human tfiib-related factor 2 (BRF2) and tbp bound to RPPH1 promoter

4ROE · Transcription factor iiib 50 kda subunit: “Human tfiib-related factor 2 (BRF2) and tbp bound to RPPH1 promoter”. X-ray diffraction, 1 ligand (MG), 9 pockets (best druggability 0.71). MolNFT v1 #106079 on GenesisL1: 3D structure…

PDB
4ROE
Type
protein + DNA
Length
537 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription factor iiib 50 kda subunit; Tata-box-binding protein; Template strand…
UniProt
Q9HAW0, P20226
Ligands
MG
Pockets
9 · best druggability 0.71

Structure

x-ray diffraction · 4 distinct chains · 48% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscription factor iiib 50 kda subunitprotein30761% helix, 1% strandQ9HAW0
BTata-box-binding proteinprotein17727% helix, 38% strandP20226
NTemplate stranddna26——
TNon-template stranddna27——

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains N, T

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19050.710.7657MG
21260.560.8320empty
32620.520.7531empty
41150.460.7921empty
51660.400.7326empty

Interfaces

6 interfaces between chains.

  • A–B · 2049 Ų buried · 36 hydrogen bonds · protein-protein
  • N–T · 1136 Ų buried · 97 hydrogen bonds · nucleic-nucleic
  • B–T · 866 Ų buried · 8 hydrogen bonds · protein-nucleic
  • B–N · 775 Ų buried · 5 hydrogen bonds · protein-nucleic
  • A–T · 527 Ų buried · 4 hydrogen bonds · protein-nucleic

Compared structures

  • 4ROE · Human TFIIB-related factor 2 (Brf2) and TBP bound to RPPH1 promoter · the same entry in another collection · chain A against A, TM-score 1.00
  • P20226 · AlphaFold monomer V2.0 prediction for tata-box-binding protein (P20226) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • Q9HAW0 · AlphaFold monomer V2.0 prediction for transcription factor iiib 50 kda subunit (Q9HAW0) · a predicted model of the same protein · chain A against A, TM-score 0.98

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