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Nucleotide-driven triple-state remodeling of the aaa-ATPase channel in the activated human 26S proteasome

Analyse Nucleotide-driven triple-state remodeling of the aaa-ATPase channel in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5VFO
Type
protein
Length
6,215 residues
Chains
28
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proteasome subunit alpha type-6; Proteasome subunit alpha type-2; Proteasome subunit…
EC
3.4.25.1
UniProt
P60900, P25787, P25789, O14818, P28066, P25786, P25788, P28072, Q99436, P49720, P49721, P28074, P20618, P28070
Pockets
20 · best druggability 0.79

Structure

electron microscopy · 17 distinct chains · 34% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
GProteasome subunit alpha type-6 (EC 3.4.25.1)protein23933% helix, 23% strandP60900
HProteasome subunit alpha type-2 (EC 3.4.25.1)protein23036% helix, 24% strandP25787
IProteasome subunit alpha type-4 (EC 3.4.25.1)protein24838% helix, 15% strandP25789
J, jProteasome subunit alpha type-7 (EC 3.4.25.1)protein23937% helix, 16% strandO14818
K, kProteasome subunit alpha type-5 (EC 3.4.25.1)protein22831% helix, 18% strandP28066
L, lProteasome subunit alpha type-1 (EC 3.4.25.1)protein23832% helix, 21% strandP25786
M, mProteasome subunit alpha type-3 (EC 3.4.25.1)protein24031% helix, 22% strandP25788
N, nProteasome subunit beta type-6 (EC 3.4.25.1)protein19133% helix, 30% strandP28072
O, oProteasome subunit beta type-7 (EC 3.4.25.1)protein22029% helix, 28% strandQ99436
P, pProteasome subunit beta type-3 (EC 3.4.25.1)protein20431% helix, 29% strandP49720
Q, qProteasome subunit beta type-2 (EC 3.4.25.1)protein19931% helix, 23% strandP49721
R, rProteasome subunit beta type-5 (EC 3.4.25.1)protein20136% helix, 26% strandP28074
S, sProteasome subunit beta type-1 (EC 3.4.25.1)protein21329% helix, 29% strandP20618
T, tProteasome subunit beta type-4 (EC 3.4.25.1)protein21534% helix, 30% strandP28070
gProteasome subunit alpha type-6 (EC 3.4.25.1)protein24035% helix, 21% strandP60900
hProteasome subunit alpha type-2 (EC 3.4.25.1)protein23236% helix, 21% strandP25787
iProteasome subunit alpha type-4 (EC 3.4.25.1)protein25038% helix, 14% strandP25789

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110900.790.80115empty
211080.790.80107empty
310220.790.80108empty
410950.780.80116empty
58460.780.8184empty

Interfaces

77 interfaces between chains.

  • o–p · 1564 Ų buried · 21 hydrogen bonds · protein-protein
  • O–P · 1555 Ų buried · 18 hydrogen bonds · protein-protein
  • I–J · 1430 Ų buried · 19 hydrogen bonds · protein-protein
  • h–i · 1393 Ų buried · 15 hydrogen bonds · protein-protein
  • G–M · 1383 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5VFO · Nucleotide-driven Triple-state Remodeling of the AAA-ATPase Channel in the Activated… · the same entry in another collection · chain Q against Q, TM-score 1.00

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