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RNA polymerase II complexed with CTP

Analyse RNA polymerase II complexed with CTP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1TWG
Type
protein
Length
3,482 residues
Chains
10
Method
x-ray diffraction
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
UniProt
P04050, P08518, P16370, P20434, P20435, P20436, P27999, P22139, P38902, P40422
Ligands
CTP, ZN, MN
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 10 distinct chains · 32% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase II largest subunit (EC 2.7.7.6)protein134941% helix, 16% strandP04050
BDNA-directed RNA polymerase II 140 kda polypeptide (EC 2.7.7.6)protein109129% helix, 23% strandP08518
CDNA-directed RNA polymerase II 45 kda polypeptide (EC 2.7.7.6)protein26623% helix, 23% strandP16370
EDNA-directed RNA polymerases I, II, and III 27 kda polypeptide (EC 2.7.7.6)protein21537% helix, 24% strandP20434
FDNA-directed RNA polymerases I, II, and III 23 kda polypeptide (EC 2.7.7.6)protein8333% helix, 16% strandP20435
HDNA-directed RNA polymerases I, II, and III 14.5 kda polypeptide (EC 2.7.7.6)protein1330% helix, 41% strandP20436
IDNA-directed RNA polymerase II 14.2 kda polypeptide (EC 2.7.7.6)protein1212% helix, 31% strandP27999
JDNA-directed RNA polymerases I, II, and III 8.3 kda polypeptide (EC 2.7.7.6)protein6444% helix, 5% strandP22139
KDNA-directed RNA polymerase II 13.6 kda polypeptide (EC 2.7.7.6)protein11436% helix, 22% strandP38902
LDNA-directed RNA polymerases I, II, and III 7.7 kda polypeptide (EC 2.7.7.6)protein460% helix, 15% strandP40422

Ligands and binding sites

  • CTP · Cytidine-5'-triphosphate · ligand · chains A, B
  • ZN · Zinc ion · metal · 8 copies · chains A, B, C, I, J, L
  • MN · Manganese (II) ion · metal · 2 copies · chains A, B

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
111130.880.90133empty
211110.840.85101empty
38890.780.8178empty
47550.780.8267empty
58990.780.8183empty

Interfaces

22 interfaces between chains.

  • A–B · 8505 Ų buried · 115 hydrogen bonds · protein-protein
  • A–E · 2547 Ų buried · 21 hydrogen bonds · protein-protein
  • C–K · 2189 Ų buried · 12 hydrogen bonds · protein-protein
  • A–F · 1997 Ų buried · 18 hydrogen bonds · protein-protein
  • B–C · 1775 Ų buried · 34 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 1TWG · RNA polymerase II complexed with CTP · the same entry in another collection · chain A against A, TM-score 1.00

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