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MolNFT v1 · #183596 · protein + DNA

Tfiih in a pre-translocated state (without ADP-BEF3)

7NVW · Tfiih basal transcription factor complex helicase xpd…: “Tfiih in a pre-translocated state (without ADP-BEF3)”. Electron microscopy, 2 ligands (SF4, ZN), 20 pockets (best druggability 0.80). MolNFT v1 #183596 on GenesisL1: 3D…

PDB
7NVW
Type
protein + DNA
Length
2,883 residues
Chains
13
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tfiih basal transcription factor complex helicase xpd subunit; General transcription…
EC
3.6.4.12
UniProt
P18074, P32780, Q92759, P51948, Q13889, Q6ZYL4, Q13888, P19447, P29083
Ligands
SF4, ZN
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 13 distinct chains · 47% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
0Tfiih basal transcription factor complex helicase xpd subunit (EC 3.6.4.12)protein71450% helix, 11% strandP18074
1General transcription factor iih subunit 1protein26568% helix, 0% strandP32780
2General transcription factor iih subunit 4protein39055% helix, 12% strandQ92759
3Cdk-activating kinase assembly factor MAT1protein14954% helix, 5% strandP51948
4General transcription factor iih subunit 3protein26340% helix, 11% strandQ13889
5General transcription factor iih subunit 5protein6645% helix, 24% strandQ6ZYL4
6General transcription factor iih subunit 2protein34732% helix, 18% strandQ13888
7General transcription and DNA repair factor iih helicase subunit xpb (EC 3.6.4.12)protein60540% helix, 17% strandP19447
NNon-template DNAdna21——
TTemplate DNAdna21——
WGeneral transcription factor iie subunit 1protein1527% helix, 0% strandP29083
YUnassigned peptide, likely xpbprotein80% helix, 25% strand—
ZUnassigned peptide, likely tfiie-betaprotein1916% helix, 0% strand—

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains 0
  • ZN · Zinc ion · metal · 7 copies · chains 3, 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
11810.800.9629empty
27740.790.8295empty
31020.760.9621empty
4660.720.9717SF4
55530.700.7955empty

Interfaces

21 interfaces between chains.

  • 4–6 · 2504 Ų buried · 17 hydrogen bonds · protein-protein
  • 1–4 · 2297 Ų buried · 15 hydrogen bonds · protein-protein
  • 2–7 · 1464 Ų buried · 14 hydrogen bonds · protein-protein
  • 1–6 · 1396 Ų buried · 12 hydrogen bonds · protein-protein
  • 2–5 · 1395 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 7NVW · TFIIH in a pre-translocated state (without ADP-BeF3) · the same entry in another collection · chain Z against Z, TM-score 1.00

Analyse

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