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Orientation of RNA polymerase II within the human VP16-mediator-pol II-tfiif assembly

Analyse Orientation of RNA polymerase II within the human VP16-mediator-pol II-tfiif… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3J0K
Type
protein
Length
3,927 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase II largest subunit; DNA-directed RNA polymerase II 140 kda…
EC
2.7.7.6
Ligands
ZN, MG
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 12 distinct chains · 30% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase II largest subunit (EC 2.7.7.6)protein142637% helix, 13% strand—
BDNA-directed RNA polymerase II 140 kda polypeptide (EC 2.7.7.6)protein111227% helix, 19% strand—
CDNA-directed RNA polymerase II 45 kda polypeptide (EC 2.7.7.6)protein26624% helix, 18% strand—
DDNA-directed RNA polymerase II 32 kda polypeptide (EC 2.7.7.6)protein17747% helix, 3% strand—
EDNA-directed RNA polymerases I, II, and III 27 kda polypeptide (EC 2.7.7.6)protein21437% helix, 17% strand—
FDNA-directed RNA polymerases I, II, and III 23 kda polypeptide (EC 2.7.7.6)protein8431% helix, 15% strand—
GDNA-directed RNA polymerase II 19 kda polypeptide (EC 2.7.7.6)protein1719% helix, 49% strand—
HDNA-directed RNA polymerases I, II, and III 14.5 kda polypeptide (EC 2.7.7.6)protein1332% helix, 43% strand—
IDNA-directed RNA polymerase II subunit 9 (EC 2.7.7.6)protein1190% helix, 10% strand—
JDNA-directed RNA polymerases I/II/III subunit 10 (EC 2.7.7.6)protein6549% helix, 0% strand—
KDNA-directed RNA polymerase II 13.6 kda polypeptide (EC 2.7.7.6)protein11438% helix, 22% strand—
LDNA-directed RNA polymerases I, II, and III 7.7 kda polypeptide (EC 2.7.7.6)protein460% helix, 11% strand—

Ligands and binding sites

  • ZN · Zinc ion · metal · 9 copies · chains A, B, C, I, J, L
  • 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
16430.860.9084empty
210330.850.86101empty
34300.830.9053empty
44870.800.8775empty
55380.790.8558empty

Interfaces

29 interfaces between chains.

  • A–B · 9883 Ų buried · 131 hydrogen bonds · protein-protein
  • D–G · 2244 Ų buried · 17 hydrogen bonds · protein-protein
  • A–E · 2152 Ų buried · 22 hydrogen bonds · protein-protein
  • C–K · 2129 Ų buried · 12 hydrogen bonds · protein-protein
  • A–F · 2087 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 3J0K · Orientation of RNA polymerase II within the human VP16-Mediator-pol II-TFIIF assembly · the same entry in another collection · chain A against A, TM-score 1.00

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