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Backtracked RNA polymerase II complex with 13MER RNA

Analyse Backtracked RNA polymerase II complex with 13MER RNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3GTJ
Type
protein + DNA + RNA
Length
3,687 residues
Chains
13
Method
x-ray diffraction
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 0.88

Structure

x-ray diffraction · 13 distinct chains · 27% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase II subunit RPB1 (EC 2.7.7.6)protein142933% helix, 13% strandP04050
BDNA-directed RNA polymerase II subunit RPB2 (EC 2.7.7.6)protein115324% helix, 19% strandP08518
CDNA-directed RNA polymerase II subunit RPB3protein27128% helix, 23% strandP16370
EDNA-directed RNA polymerases I, II, and III subunit RPABC1protein21531% helix, 20% strandP20434
FDNA-directed RNA polymerases I, II, and III subunit RPABC2protein8529% helix, 14% strandP20435
HDNA-directed RNA polymerases I, II, and III subunit RPABC3protein1360% helix, 42% strandP20436
IDNA-directed RNA polymerase II subunit RPB9protein1190% helix, 24% strandP27999
JDNA-directed RNA polymerases I, II, and III subunit RPABC5protein6542% helix, 2% strandP22139
KDNA-directed RNA polymerase II subunit RPB11protein11432% helix, 23% strandP38902
LDNA-directed RNA polymerases I, II, and III subunit RPABC4protein460% helix, 20% strandP40422
RRNA (5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*AP*UP*GP*C)-3')rna12——
TDNA (28-mer)dna28——
NDNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3')dna14——

Ligands and binding sites

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

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
110910.880.90118empty
211990.870.89118empty
37520.840.8765empty
46270.800.8566empty
55830.800.8561empty

Interfaces

31 interfaces between chains.

  • A–B · 9997 Ų buried · 124 hydrogen bonds · protein-protein
  • A–E · 2282 Ų buried · 19 hydrogen bonds · protein-protein
  • C–K · 2179 Ų buried · 14 hydrogen bonds · protein-protein
  • A–F · 1996 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 1808 Ų buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3GTJ · Backtracked RNA polymerase II complex with 13mer RNA · the same entry in another collection · chain A against A, TM-score 1.00

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