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Architecture of the RNA polymerase II-mediator core transcription initiation complex

Analyse Architecture of the RNA polymerase II-mediator core transcription initiation… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4V1M
Type
protein + DNA + RNA
Length
3,655 residues
Chains
13
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase II subunit RPB1; DNA-directed RNA polymerase II subunit RPB2…
EC
2.7.7.6
UniProt
P04050, P08518, P16370, P20434, P20435, P20436, P27999, P22139, P38902, P40422
Ligands
ZN, MG
Pockets
20 · best druggability 0.89

Structure

electron microscopy · 13 distinct chains · 33% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase II subunit RPB1 (EC 2.7.7.6)protein142241% helix, 16% strandP04050
BDNA-directed RNA polymerase II subunit RPB2 (EC 2.7.7.6)protein115628% helix, 25% strandP08518
CDNA-directed RNA polymerase II subunit RPB3protein26626% helix, 29% strandP16370
EDNA-directed RNA polymerases I, II, and III subunit rpabc 1protein21441% helix, 24% strandP20434
FDNA-directed RNA polymerases I, II, and III subunit rpabc 2protein8435% helix, 15% strandP20435
HDNA-directed RNA polymerases I, II, and III subunit rpabc 3protein1332% helix, 43% strandP20436
IDNA-directed RNA polymerase II subunit RPB9protein1194% helix, 30% strandP27999
JDNA-directed RNA polymerases I, II, and III subunit rpabc 5protein6545% helix, 2% strandP22139
KDNA-directed RNA polymerase II subunit RPB11protein11440% helix, 24% strandP38902
LDNA-directed RNA polymerases I, II, and III subunit rpabc 4 (EC 2.7.7.6)protein460% helix, 13% strandP40422
N5'-D(*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP)-3'dna10——
P5'-D(*CP*CP*AP*GP*GP*AP)-3'rna6——
T5'-D(*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*TP*TP*TP*CP *CP*BRUP*GP*GP*TP*C)-3'dna20——

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains A, B, C, I, J, L
  • MG · Magnesium ion · metal · chains A, P

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
19050.890.91109empty
29560.870.8993empty
39380.840.8672empty
411270.830.84117empty
57920.820.8586empty

Interfaces

30 interfaces between chains.

  • A–B · 9717 Ų buried · 157 hydrogen bonds · protein-protein
  • A–E · 2201 Ų buried · 30 hydrogen bonds · protein-protein
  • C–K · 2186 Ų buried · 16 hydrogen bonds · protein-protein
  • A–F · 2049 Ų buried · 20 hydrogen bonds · protein-protein
  • B–C · 1873 Ų buried · 31 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 4V1M · Architecture of the RNA polymerase II-Mediator core transcription initiation complex · the same entry in another collection · chain H against H, TM-score 1.00

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