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MolNFT v1 · #179256 · protein

Structure of tfiih in TFIIH/RAD4-RAD23-RAD33 DNA opening complex

7K01 · General transcription and DNA repair factor iih subunit TFB1: “Structure of tfiih in TFIIH/RAD4-RAD23-RAD33 DNA opening complex”. Electron microscopy, 2 ligands (SF4, ZN), 20 pockets (best druggability 0.83). MolNFT v1 #179256 on…

PDB
7K01
Type
protein
Length
2,916 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
General transcription and DNA repair factor iih subunit TFB1; General transcription and…
EC
3.6.4.12
UniProt
P32776, Q12004, Q00578, Q3E7C1, Q02939, P06839, Q04673
Ligands
SF4, ZN
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 7 distinct chains · 45% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
1General transcription and DNA repair factor iih subunit TFB1protein36767% helix, 0% strandP32776
4General transcription and DNA repair factor iih subunit TFB4protein28437% helix, 12% strandQ12004
7DNA repair helicase RAD25 (EC 3.6.4.12)protein63438% helix, 11% strandQ00578
5RNA polymerase II transcription factor B subunit 5protein6647% helix, 20% strandQ3E7C1
2General transcription and DNA repair factor iih subunit TFB2protein46048% helix, 4% strandQ02939
0DNA repair helicase RAD3 (EC 3.6.4.12)protein75450% helix, 9% strandP06839
6General transcription and DNA repair factor iih subunit SSL1protein35130% helix, 11% strandQ04673

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains 0
  • ZN · Zinc ion · metal · 5 copies · chains 4, 6

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14820.830.8964empty
210440.800.81108empty
37870.790.8378empty
410170.790.8081empty
55690.770.8492empty

Interfaces

13 interfaces between chains.

  • 1–0 · 2649 Ų buried · 32 hydrogen bonds · protein-protein
  • 4–6 · 2049 Ų buried · 15 hydrogen bonds · protein-protein
  • 1–6 · 1262 Ų buried · 14 hydrogen bonds · protein-protein
  • 4–2 · 1030 Ų buried · 8 hydrogen bonds · protein-protein
  • 1–4 · 996 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 7K01 · Structure of TFIIH in TFIIH/Rad4-Rad23-Rad33 DNA opening complex · the same entry in another collection · chain 6 against 6, TM-score 1.00
  • P06839 · AlphaFold monomer V2.0 prediction for general transcription and DNA repair factor iih… · a predicted model of the same protein · chain 0 against A, TM-score 0.97
  • Q04673 · AlphaFold monomer V2.0 prediction for general transcription and DNA repair factor iih… · a predicted model of the same protein · chain 6 against A, TM-score 0.96
  • Q12004 · AlphaFold monomer V2.0 prediction for general transcription and DNA repair factor iih… · a predicted model of the same protein · chain 4 against A, TM-score 0.88
  • Q00578 · AlphaFold monomer V2.0 prediction for general transcription and DNA repair factor iih… · a predicted model of the same protein · chain 7 against A, TM-score 0.83
  • Q02939 · AlphaFold monomer V2.0 prediction for general transcription and DNA repair factor iih… · a predicted model of the same protein · chain 2 against A, TM-score 0.75

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