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The structure of the Plasmodium falciparum 20S proteasome in complex with two PA28 activators

Analyse The structure of the Plasmodium falciparum 20S proteasome in complex with two… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MUV
Type
protein
Length
8,796 residues
Chains
42
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.8
Source
Plasmodium falciparum (isolate 3D7)
Molecule
20S proteasome alpha-1 subunit; 20S proteasome alpha-2 subunit; 20S proteasome alpha-3…
EC
3.4.25.1
UniProt
Q8IAR3, C6KST3, Q8IDG3, Q8IDG2, Q8IBI3, Q8IK90, O77396, Q8I0U7, Q8I6T3, Q8I261, Q8IKC9, Q8IJT1, C0H4E8, Q7K6A9, Q8I374
Pockets
20 · best druggability 0.81

Structure

electron microscopy · resolution 3.8 · 19 distinct chains · 42% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, O20S proteasome alpha-1 subunit (EC 3.4.25.1)protein24636% helix, 17% strandQ8IAR3
B, P20S proteasome alpha-2 subunit (EC 3.4.25.1)protein22433% helix, 21% strandC6KST3
C, Q20S proteasome alpha-3 subunit (EC 3.4.25.1)protein24034% helix, 15% strandQ8IDG3
D, R20S proteasome alpha-4 subunit (EC 3.4.25.1)protein22734% helix, 18% strandQ8IDG2
E, S20S proteasome alpha-5 subunit (EC 3.4.25.1)protein22731% helix, 17% strandQ8IBI3
F, T20S proteasome alpha-6 subunit (EC 3.4.25.1)protein23633% helix, 19% strandQ8IK90
G, U20S proteasome alpha-7 subunit (EC 3.4.25.1)protein23329% helix, 20% strandO77396
H, V20S proteasome beta-1 subunit (EC 3.4.25.1)protein19329% helix, 22% strandQ8I0U7
I, W20S proteasome beta-2 subunit (EC 3.4.25.1)protein21927% helix, 23% strandQ8I6T3
J, X20S proteasome beta-3 subunit (EC 3.4.25.1)protein20326% helix, 23% strandQ8I261
K, Y20S proteasome beta-4 subunit (EC 3.4.25.1)protein19531% helix, 26% strandQ8IKC9
L, Z20S proteasome beta-5 subunit (EC 3.4.25.1)protein20429% helix, 17% strandQ8IJT1
M, a20S proteasome beta-6 subunit (EC 3.4.25.1)protein21129% helix, 26% strandC0H4E8
N, b20S proteasome beta-7 subunit (EC 3.4.25.1)protein22430% helix, 19% strandQ7K6A9
c, d, m, oProteasome activator PA28protein18780% helix, 0% strandQ8I374
e, pProteasome activator PA28protein18879% helix, 0% strandQ8I374
f, jProteasome activator PA28protein19377% helix, 0% strandQ8I374
g, kProteasome activator PA28protein18978% helix, 0% strandQ8I374
h, i, l, nProteasome activator PA28protein18680% helix, 0% strandQ8I374

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111330.810.82116empty
28110.800.8389empty
36250.780.8390empty
47250.780.8272empty
59520.780.8096empty

Interfaces

116 interfaces between chains.

  • g–h · 2125 Ų buried · 20 hydrogen bonds · protein-protein
  • j–p · 2117 Ų buried · 15 hydrogen bonds · protein-protein
  • k–l · 2110 Ų buried · 16 hydrogen bonds · protein-protein
  • e–f · 2107 Ų buried · 17 hydrogen bonds · protein-protein
  • c–i · 2102 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 6MUV · The structure of the plasmodium falciparum 20S proteasome in complex with two PA28… · the same entry in another collection · chain B against B, TM-score 1.00

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