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MolNFT v1 · #134319 · protein

Structural basis for dynamic regulation of the human 26S proteasome

5T0I · 26S protease regulatory subunit 7: “Structural basis for dynamic regulation of the human 26S proteasome”. Electron microscopy, 2 ligands (ATP, ZN), 20 pockets (best druggability 0.90). MolNFT v1 #134319 on GenesisL1: 3D structure…

PDB
5T0I
Type
protein
Length
9,783 residues
Chains
32
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
26S protease regulatory subunit 7; 26S protease regulatory subunit 4; 26S protease…
EC
3.4.25.1, 3.4.19.-
UniProt
P35998, P62191, P62195, P43686, A0A087X2I1, P17980, P60900, P25787, P25789, O14818, P28066, P25786, P25788, P28072, Q99436, P49720, P49721, P28074, P20618, P28070, Q99460, O43242, O00232, O00231, Q15008, P51665, Q9UNM6, P55036, O00487, P48556, P60896, Q13200
Ligands
ATP, ZN
Pockets
20 · best druggability 0.90

Structure

electron microscopy · 32 distinct chains · 46% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A26S protease regulatory subunit 7protein36140% helix, 11% strandP35998
B26S protease regulatory subunit 4protein34834% helix, 11% strandP62191
C26S protease regulatory subunit 8protein38444% helix, 10% strandP62195
D26S protease regulatory subunit 6Bprotein38039% helix, 14% strandP43686
E26S protease regulatory subunit 10Bprotein35340% helix, 11% strandA0A087X2I1
F26S protease regulatory subunit 6Aprotein36639% helix, 11% strandP17980
GProteasome subunit alpha type-6 (EC 3.4.25.1)protein24031% helix, 15% strandP60900
HProteasome subunit alpha type-2 (EC 3.4.25.1)protein23333% helix, 22% strandP25787
IProteasome subunit alpha type-4 (EC 3.4.25.1)protein25036% helix, 17% strandP25789
JProteasome subunit alpha type-7 (EC 3.4.25.1)protein23932% helix, 16% strandO14818
KProteasome subunit alpha type-5 (EC 3.4.25.1)protein22828% helix, 18% strandP28066
LProteasome subunit alpha type-1 (EC 3.4.25.1)protein23832% helix, 17% strandP25786
MProteasome subunit alpha type-3 (EC 3.4.25.1)protein24033% helix, 21% strandP25788
NProteasome subunit beta type-6 (EC 3.4.25.1)protein19132% helix, 30% strandP28072
OProteasome subunit beta type-7 (EC 3.4.25.1)protein22029% helix, 33% strandQ99436
PProteasome subunit beta type-3 (EC 3.4.25.1)protein20431% helix, 29% strandP49720
QProteasome subunit beta type-2 (EC 3.4.25.1)protein19931% helix, 16% strandP49721
RProteasome subunit beta type-5 (EC 3.4.25.1)protein20136% helix, 28% strandP28074
SProteasome subunit beta type-1 (EC 3.4.25.1)protein21328% helix, 27% strandP20618
TProteasome subunit beta type-4 (EC 3.4.25.1)protein21533% helix, 24% strandP28070
U26S proteasome non-ATPase regulatory subunit 1protein80661% helix, 0% strandQ99460
V26S proteasome non-ATPase regulatory subunit 3protein48064% helix, 1% strandO43242
W26S proteasome non-ATPase regulatory subunit 12protein45669% helix, 2% strandO00232
X26S proteasome non-ATPase regulatory subunit 11protein24166% helix, 2% strandO00231
Y26S proteasome non-ATPase regulatory subunit 6protein37865% helix, 2% strandQ15008
Z26S proteasome non-ATPase regulatory subunit 7protein28646% helix, 17% strandP51665
a26S proteasome non-ATPase regulatory subunit 13protein37365% helix, 2% strandQ9UNM6
b26S proteasome non-ATPase regulatory subunit 4protein19136% helix, 15% strandP55036
c26S proteasome non-ATPase regulatory subunit 14 (EC 3.4.19.-)protein27841% helix, 14% strandO00487
d26S proteasome non-ATPase regulatory subunit 8protein25761% helix, 3% strandP48556
e26S proteasome complex subunit DSS1protein4055% helix, 0% strandP60896
f26S proteasome non-ATPase regulatory subunit 2protein69452% helix, 0% strandQ13200

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 4 copies · chains A, B, D, E, F
  • ZN · Zinc ion · metal · chains c

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
110480.900.91118empty
29260.890.91120ATP
39960.860.87120empty
48140.860.89113empty
510620.860.86128empty

Interfaces

103 interfaces between chains.

  • Z–c · 3947 Ų buried · 22 hydrogen bonds · protein-protein
  • E–F · 3867 Ų buried · 38 hydrogen bonds · protein-protein
  • C–D · 3386 Ų buried · 31 hydrogen bonds · protein-protein
  • A–B · 3169 Ų buried · 45 hydrogen bonds · protein-protein
  • A–F · 2940 Ų buried · 29 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5T0I · Structural basis for dynamic regulation of the human 26S proteasome · the same entry in another collection · chain G against G, TM-score 1.00

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