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The structure of human integrator-PP2A complex

Analyse The structure of human integrator-PP2A complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7CUN
Type
protein
Length
8,142 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Integrator complex subunit 1; Integrator complex subunit 2; Integrator complex subunit 4…
EC
3.1.27.-, 3.1.3.16
UniProt
Q8N201, Q9H0H0, Q96HW7, Q6P9B9, Q9UL03, Q9NVH2, Q75QN2, Q9NV88, Q5TA45, P30153, P67775
Ligands
ZN, MN
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 12 distinct chains · 51% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIntegrator complex subunit 1protein73064% helix, 0% strandQ8N201
BIntegrator complex subunit 2protein105862% helix, 0% strandQ9H0H0
DIntegrator complex subunit 4protein82751% helix, 5% strandQ96HW7
EIntegrator complex subunit 5protein79663% helix, 1% strandQ6P9B9
FIntegrator complex subunit 6protein53422% helix, 10% strandQ9UL03
GIntegrator complex subunit 7protein89560% helix, 4% strandQ9NVH2
HIntegrator complex subunit 8protein91260% helix, 0% strandQ75QN2
IIntegrator complex subunit 9protein62419% helix, 11% strandQ9NV88
KIntegrator complex subunit 11 (EC 3.1.27.-)protein58825% helix, 15% strandQ5TA45
PPP2A-aprotein58267% helix, 0% strandP30153
QPP2A-C (EC 3.1.3.16)protein29332% helix, 18% strandP67775
UUnknownprotein30358% helix, 0% strand—

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains K
  • MN · Manganese (II) ion · metal · 2 copies · chains Q

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
111640.860.87111empty
26720.860.9095empty
35560.860.9190empty
49560.850.86125empty
58230.850.87105empty

Interfaces

27 interfaces between chains.

  • E–H · 5341 Ų buried · 39 hydrogen bonds · protein-protein
  • B–G · 3635 Ų buried · 23 hydrogen bonds · protein-protein
  • I–K · 2776 Ų buried · 38 hydrogen bonds · protein-protein
  • D–G · 2653 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 2612 Ų buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 13 modified (engineered).

Compared structures

  • 7CUN · The structure of human Integrator-PP2A complex · the same entry in another collection · chain H against H, TM-score 1.00

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