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MolNFT v1 · #180274 · protein

Cryoem structure of yeast tfiik (KIN28/CCL1/TFB3) complex

7KUE · RNA polymerase II transcription factor B subunit 3: “Cryoem structure of yeast tfiik (KIN28/CCL1/TFB3) complex”. Electron microscopy, 2 ligands (ADP, AF3), 7 pockets (best druggability 0.82). MolNFT v1 #180274 on GenesisL1: 3D…

PDB
7KUE
Type
protein
Length
577 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA polymerase II transcription factor B subunit 3; SERINE/THREONINE-protein kinase…
EC
2.7.11.23
UniProt
Q03290, P06242, P37366
Ligands
ADP, AF3
Pockets
7 · best druggability 0.82

Structure

electron microscopy · 3 distinct chains · 41% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CRNA polymerase II transcription factor B subunit 3protein6229% helix, 0% strandQ03290
ASERINE/THREONINE-protein kinase KIN28 (EC 2.7.11.23)protein29027% helix, 7% strandP06242
BCyclin CCL1protein22562% helix, 0% strandP37366

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • AF3 · Aluminum fluoride · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110700.820.83112empty
2670.610.9116empty
32860.570.7730ADP
42270.560.7827empty
5540.350.7811empty

Interfaces

3 interfaces between chains.

  • C–B · 1275 Ų buried · 9 hydrogen bonds · protein-protein
  • C–A · 1136 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 1042 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 7KUE · CryoEM structure of Yeast TFIIK (Kin28/Ccl1/Tfb3) Complex · the same entry in another collection · chain C against C, TM-score 1.00
  • P37366 · AlphaFold monomer V2.0 prediction for cyclin CCL1 (P37366) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • P06242 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase KIN28 (P06242) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • Q03290 · AlphaFold monomer V2.0 prediction for RNA polymerase II transcription factor B subunit 3… · a predicted model of the same protein · chain C against A, TM-score 0.69

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