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Crystal structure of the rous sarcoma virus intasome

Analyse Crystal structure of the rous sarcoma virus intasome in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5EJK
Type
protein + DNA
Length
2,216 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gag-pro-pol polyprotein; Rsv integrase; DNA (5'…
EC
3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-
UniProt
P03354
Ligands
W, ZN
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · 13 distinct chains · 38% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EGag-pro-pol polyprotein (EC 3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-)protein26937% helix, 22% strandP03354
BGag-pro-pol polyprotein (EC 3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-)protein25340% helix, 23% strandP03354
CGag-pro-pol polyprotein (EC 3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-)protein25637% helix, 22% strandP03354
DGag-pro-pol polyprotein (EC 3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-)protein25039% helix, 21% strandP03354
FGag-pro-pol polyprotein (EC 3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-)protein25438% helix, 22% strandP03354
GGag-pro-pol polyprotein (EC 3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-)protein25038% helix, 22% strandP03354
HGag-pro-pol polyprotein (EC 3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-)protein26337% helix, 21% strandP03354
IRsv integrasedna42——
JDNA (5'- D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*TP*AP*CP*TP*C)- 3')dna22——
K, NDNA (5'-D(*CP*TP*TP*CP*TP*CP*TP*C)-3')dna8——
LRsv integrasedna38——
MDNA (5'- D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*TP*AP*CP*TP*C)- 3')dna18——
k, nDNA (5'-D(*AP*GP*TP*GP*TP*CP*TP*T)-3')dna8——

Ligands and binding sites

  • W · Tungsten ion · metal · 36 copies · chains A, B, F
  • ZN · Zinc ion · metal · 8 copies · chains A, E, B, C, D, F, G, H

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
17870.830.8782empty
27610.830.8669empty
37790.810.8467empty
41720.780.9530empty
55110.780.8556empty

Interfaces

45 interfaces between chains.

  • E–F · 1793 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 1747 Ų buried · 10 hydrogen bonds · protein-protein
  • G–H · 1617 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 1615 Ų buried · 11 hydrogen bonds · protein-protein
  • A–E · 1122 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 88 modified (engineered).

Compared structures

  • 5EJK · Crystal structure of the Rous sarcoma virus intasome · the same entry in another collection · chain A against A, TM-score 1.00

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