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Gsi-iic rt template-switching complex (twinned)

Analyse Gsi-iic rt template-switching complex (twinned) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7K9Y
Type
protein + DNA + RNA
Length
893 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trt; DNA (5'-D(*CP*TP*CP*CP*AP*GP*GP*CP*AP*AP*C)-3'); RNA…
UniProt
E2GM63
Ligands
DTP, MG, SO4
Pockets
7 · best druggability 0.81

Structure

x-ray diffraction · 5 distinct chains · 54% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrtprotein42555% helix, 11% strandE2GM63
B, EDNA (5'-D(*CP*TP*CP*CP*AP*GP*GP*CP*AP*AP*C)-3')dna11——
C, FRNA (5'-R(*UP*UP*GP*CP*CP*UP*GP*GP*AP*G)-3')rna10——
DTrtprotein41854% helix, 11% strandE2GM63
G, HRNA (5'-R(*U*UP*UP*UP*G)-3')rna4——

Ligands and binding sites

  • DTP · 2'-deoxyadenosine 5'-triphosphate · ligand · 2 copies · chains A, B, G, D, E, H
  • MG · Magnesium ion · metal · 2 copies · chains A, D
  • SO4 · Sulfate ion · ion · 3 copies · chains A, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19210.810.8381DTP, MG
211110.780.8074DTP, MG
33480.720.8547SO4
42600.570.7921empty
5830.480.8222empty

Interfaces

14 interfaces between chains.

  • A–D · 1293 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 687 Ų buried · 6 hydrogen bonds · protein-nucleic
  • D–E · 617 Ų buried · 4 hydrogen bonds · protein-nucleic
  • D–H · 488 Ų buried · 7 hydrogen bonds · protein-nucleic
  • E–F · 488 Ų buried · 32 hydrogen bonds · nucleic-nucleic

Compared structures

  • 7K9Y · GsI-IIC RT Template-Switching Complex (twinned) · the same entry in another collection · chain A against A, TM-score 1.00

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