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RNA polymerase II pre-initiation complex with closed promoter DNA in proximal position

Analyse RNA polymerase II pre-initiation complex with closed promoter DNA in proximal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7NVY
Type
protein + DNA
Length
8,218 residues
Chains
32
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, 2.7.7.6, 2.3.1.48
UniProt
P18074, P32780, Q92759, P51948, Q13889, Q6ZYL4, Q13888, P19447, I3LGP4, I3LCH3, A0A287ADR4, I3LSI7, F1SKN8, I3LJZ9, A0A4X1ULF2, P60899, A0A4X1VYD0, A0A4X1UK25, I3LN51, Q00403, P20226, P35269, P13984, P52655, P52657, P29083, P29084
Ligands
SF4, ZN, MG
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 32 distinct chains · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
0Tfiih basal transcription factor complex helicase xpd subunit (EC 3.6.4.12)protein71451% helix, 12% strandP18074
1General transcription factor iih subunit 1protein26568% helix, 0% strandP32780
2General transcription factor iih subunit 4protein39055% helix, 12% strandQ92759
3Cdk-activating kinase assembly factor MAT1protein14955% helix, 5% strandP51948
4General transcription factor iih subunit 3protein26341% helix, 13% strandQ13889
5General transcription factor iih subunit 5protein6647% helix, 21% strandQ6ZYL4
6General transcription factor iih subunit 2protein34732% helix, 19% strandQ13888
7General transcription and DNA repair factor iih helicase subunit xpb (EC 3.6.4.12)protein60541% helix, 18% strandP19447
ARPB1protein142343% helix, 15% strand—
BDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein113630% helix, 25% strandI3LGP4
CDNA-directed RNA polymerase II subunit RPB3protein25726% helix, 28% strandI3LCH3
DRPOL4C domain-containing proteinprotein12859% helix, 2% strandA0A287ADR4
EDNA-directed RNA polymerase II subunit Eprotein20941% helix, 24% strandI3LSI7
FDNA-directed RNA polymerase II subunit Fprotein7933% helix, 16% strandF1SKN8
GDNA-directed RNA polymerase II subunit RPB7protein1719% helix, 51% strandI3LJZ9
HDNA-directed RNA polymerases I, II, and III subunit RPABC3protein1485% helix, 46% strandA0A4X1ULF2
IDNA-directed RNA polymerase II subunit RPB9protein1148% helix, 32% strandP60899
JDNA-directed RNA polymerases I, II, and III subunit RPABC5protein6445% helix, 5% strandA0A4X1VYD0
KRNA_POL_L_2 domain-containing proteinprotein11542% helix, 23% strandA0A4X1UK25
LRNA polymerase II subunit Kprotein440% helix, 27% strandI3LN51
MTranscription initiation factor iib (EC 2.3.1.48)protein25260% helix, 4% strandQ00403
NNon-template DNAdna64——
OTata-box-binding proteinprotein17927% helix, 35% strandP20226
QGeneral transcription factor iif subunit 1protein13817% helix, 36% strandP35269
RGeneral transcription factor iif subunit 2 (EC 3.6.4.12)protein22235% helix, 27% strandP13984
TTemplate DNAdna64——
UTranscription initiation factor iia subunit 1protein11336% helix, 33% strandP52655
VTranscription initiation factor iia subunit 2protein9937% helix, 36% strandP52657
WGeneral transcription factor iie subunit 1protein20257% helix, 16% strandP29083
XTranscription initiation factor iie subunit betaprotein17150% helix, 12% strandP29084
YUnassigned peptide, likely tfiie-betaprotein1916% helix, 0% strand—
ZUnassigned peptide, likely xpbprotein80% helix, 25% strand—

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains 0
  • ZN · Zinc ion · metal · 17 copies · chains 3, 4, 6, A, B, C, I, J, L, M, W
  • MG · Magnesium ion · metal · chains A

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
16740.840.8872empty
210310.840.85112empty
34580.830.9053empty
49260.810.8396empty
59200.810.83101empty

Interfaces

80 interfaces between chains.

  • A–B · 8905 Ų buried · 132 hydrogen bonds · protein-protein
  • N–T · 2879 Ų buried · 210 hydrogen bonds · nucleic-nucleic
  • U–V · 2775 Ų buried · 41 hydrogen bonds · protein-protein
  • 4–6 · 2481 Ų buried · 19 hydrogen bonds · protein-protein
  • Q–R · 2394 Ų buried · 39 hydrogen bonds · protein-protein

Compared structures

  • 7NVY · RNA polymerase II pre-initiation complex with closed promoter DNA in proximal position · the same entry in another collection · chain C against C, TM-score 1.00

Analyse

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