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Yeast tfiih in the contracted state within the pre-initiation complex

Analyse Yeast tfiih in the contracted state within the pre-initiation complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7O4K
Type
protein + DNA
Length
4,236 residues
Chains
17
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
General transcription and DNA repair factor iih helicase subunit xpd; General…
EC
3.6.4.12, 2.7.7.6
UniProt
P06839, P32776, Q02939, Q03290, Q12004, Q3E7C1, Q04673, Q00578, P04050, P08518, P20433, P20435, P34087, P36100, P36145
Ligands
SF4, BEF, ADP, ZN, MG
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 17 distinct chains · 43% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
0General transcription and DNA repair factor iih helicase subunit xpd (EC 3.6.4.12)protein75249% helix, 13% strandP06839
1General transcription and DNA repair factor iih subunit TFB1protein52256% helix, 10% strandP32776
2General transcription and DNA repair factor iih subunit TFB2protein44552% helix, 15% strandQ02939
3RNA polymerase II transcription factor B subunit 3protein13048% helix, 9% strandQ03290
4General transcription and DNA repair factor iih subunit TFB4protein29240% helix, 17% strandQ12004
5General transcription and DNA repair factor iih subunit TFB5protein6551% helix, 29% strandQ3E7C1
6General transcription and DNA repair factor iih subunit SSL1protein35533% helix, 23% strandQ04673
7General transcription and DNA repair factor iih helicase subunit xpb (EC 3.6.4.12)protein60839% helix, 18% strandQ00578
ADNA-directed RNA polymerase II subunit RPB1 (EC 2.7.7.6)protein16722% helix, 20% strandP04050
BDNA-directed RNA polymerase II subunit RPB2 (EC 2.7.7.6)protein7123% helix, 31% strandP08518
DDNA-directed RNA polymerase II subunit RPB4protein16355% helix, 6% strandP20433
FDNA-directed RNA polymerases I, II, and III subunit RPABC2protein2836% helix, 21% strandP20435
GDNA-directed RNA polymerase II subunit RPB7protein1719% helix, 50% strandP34087
NNon-template DNAdna10——
TTemplate DNAdna10——
WTranscription initiation factor iie subunit alphaprotein31250% helix, 10% strandP36100
XTranscription initiation factor iie subunit betaprotein13530% helix, 9% strandP36145

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains 0
  • BEF · Beryllium trifluoride ion · ligand · chains 7
  • ADP · Adenosine-5'-diphosphate · ligand · chains 7
  • ZN · Zinc ion · metal · 10 copies · chains 3, 4, 6, A, B, W
  • MG · Magnesium ion · metal · chains 7

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
13220.830.9336empty
21630.800.9728empty
310260.800.8196empty
48060.790.8260empty
56360.780.8373empty

Interfaces

41 interfaces between chains.

  • 0–1 · 4159 Ų buried · 43 hydrogen bonds · protein-protein
  • 1–4 · 3280 Ų buried · 31 hydrogen bonds · protein-protein
  • 4–6 · 2561 Ų buried · 21 hydrogen bonds · protein-protein
  • 1–6 · 2526 Ų buried · 24 hydrogen bonds · protein-protein
  • 1–W · 2430 Ų buried · 28 hydrogen bonds · protein-protein

Compared structures

  • 7O4K · Yeast TFIIH in the contracted state within the pre-initiation complex · the same entry in another collection · chain D against D, TM-score 1.00

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