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MolNFT v1 · #143140 · protein

Saga dub module UBP8(C146A)/SGF11/SUS1/SGF73 bound to monoubiquitin

6AQR · Ubiquitin carboxyl-terminal hydrolase 8: “Saga dub module UBP8(C146A)/SGF11/SUS1/SGF73 bound to monoubiquitin”. X-ray diffraction, 1 ligand (ZN), 9 pockets (best druggability 0.85). MolNFT v1 #143140 on GenesisL1: 3D structure…

PDB
6AQR
Type
protein
Length
784 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin carboxyl-terminal hydrolase 8; Transcription and mRNA export factor SUS1…
EC
3.4.19.12
UniProt
P50102, Q6WNK7, Q03067, P0CG48, P53165
Ligands
ZN
Pockets
9 · best druggability 0.85

Structure

x-ray diffraction · 5 distinct chains · 41% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin carboxyl-terminal hydrolase 8 (EC 3.4.19.12)protein44235% helix, 26% strandP50102
BTranscription and mRNA export factor SUS1protein9181% helix, 2% strandQ6WNK7
CSaga-associated factor 11protein8752% helix, 7% strandQ03067
DPolyubiquitin-Cprotein7625% helix, 33% strandP0CG48
ESaga-associated factor 73protein8834% helix, 13% strandP53165

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains A, C, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111740.850.86118empty
21730.570.8227empty
31000.490.8122empty
41110.460.7920empty
5720.440.8116empty

Interfaces

7 interfaces between chains.

  • A–E · 3230 Ų buried · 45 hydrogen bonds · protein-protein
  • A–C · 2130 Ų buried · 24 hydrogen bonds · protein-protein
  • A–D · 1828 Ų buried · 38 hydrogen bonds · protein-protein
  • B–C · 1356 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 1286 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6AQR · SAGA DUB module Ubp8(C146A)/Sgf11/Sus1/Sgf73 bound to monoubiquitin · the same entry in another collection · chain E against E, TM-score 1.00
  • P50102 · AlphaFold monomer V2.0 prediction for ubiquitin carboxyl-terminal hydrolase 8 (P50102) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P53165 · AlphaFold monomer V2.0 prediction for saga-associated factor 73 (P53165) · a predicted model of the same protein · chain E against A, TM-score 0.94
  • Q6WNK7 · AlphaFold monomer V2.0 prediction for transcription and mRNA export factor SUS1 (Q6WNK7) · a predicted model of the same protein · chain B against A, TM-score 0.93
  • Q03067 · AlphaFold monomer V2.0 prediction for saga-associated factor 11 (Q03067) · a predicted model of the same protein · chain C against A, TM-score 0.80

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