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MolNFT v1 · #147501 · protein

Yeast 26S proteasome bound to ubiquitinated substrate (1D* motor state)

6EF0 · Proteasome subunit alpha type-1: “Yeast 26S proteasome bound to ubiquitinated substrate (1D* motor state)”. Electron microscopy, 2 ligands (ADP, ATP), 20 pockets (best druggability 0.84). MolNFT v1 #147501 on GenesisL1: 3D…

PDB
6EF0
Type
protein
Length
3,318 residues
Chains
14
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proteasome subunit alpha type-1; Proteasome subunit alpha type-2; Proteasome subunit…
EC
3.4.25.1
UniProt
P21243, P23639, P23638, P40303, P32379, P40302, P21242, P33299, P40327, Q01939, P33298, P53549, P33297
Ligands
ADP, ATP
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 14 distinct chains · 33% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProteasome subunit alpha type-1 (EC 3.4.25.1)protein23826% helix, 16% strandP21243
BProteasome subunit alpha type-2 (EC 3.4.25.1)protein25026% helix, 17% strandP23639
CProteasome subunit alpha type-3 (EC 3.4.25.1)protein24428% helix, 17% strandP23638
DProteasome subunit alpha type-4 (EC 3.4.25.1)protein24233% helix, 17% strandP40303
EProteasome subunit alpha type-5 (EC 3.4.25.1)protein24931% helix, 16% strandP32379
FProteasome subunit alpha type-6 (EC 3.4.25.1)protein23428% helix, 21% strandP40302
GProbable proteasome subunit alpha type-7 (EC 3.4.25.1)protein24637% helix, 17% strandP21242
H26S proteasome regulatory subunit 7 homologprotein25737% helix, 5% strandP33299
I26S proteasome regulatory subunit 4 homologprotein27138% helix, 4% strandP40327
J26S proteasome regulatory subunit 8 homologprotein27235% helix, 4% strandQ01939
K26S proteasome regulatory subunit 6B homologprotein27235% helix, 2% strandP33298
L26S proteasome subunit RPT4protein27337% helix, 4% strandP53549
M26S proteasome regulatory subunit 6Aprotein25835% helix, 3% strandP33297
sModel substrate polypeptideprotein120% helix, 0% strand—

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains H, I, L, M
  • ATP · Adenosine-5'-triphosphate · ligand · 3 copies · chains I, J, K, L

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
16600.840.8875empty
26850.830.8786empty
310570.820.83111empty
48590.820.8488ATP
511100.810.82127empty

Interfaces

36 interfaces between chains.

  • J–K · 1762 Ų buried · 7 hydrogen bonds · protein-protein
  • K–L · 1697 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 1523 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 1347 Ų buried · 19 hydrogen bonds · protein-protein
  • B–C · 1347 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 6EF0 · Yeast 26S proteasome bound to ubiquitinated substrate (1D* motor state) · the same entry in another collection · chain s against s, TM-score 1.00

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