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MolNFT v1 · #119814 · protein

Crystal structure of USP7 with RNF169 peptide

5GG4 · Ubiquitin carboxyl-terminal hydrolase 7: “Crystal structure of USP7 with RNF169 peptide”. X-ray diffraction, 12 pockets (best druggability 0.82). MolNFT v1 #119814 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5GG4
Type
protein
Length
1,131 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin carboxyl-terminal hydrolase 7; Peptide from E3 ubiquitin-protein ligase RNF169
EC
3.4.19.12, 6.3.2.-
UniProt
Q93009, Q8NCN4
Pockets
12 · best druggability 0.82

Structure

x-ray diffraction · 8 distinct chains · 21% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin carboxyl-terminal hydrolase 7 (EC 3.4.19.12)protein31324% helix, 30% strandQ93009
BUbiquitin carboxyl-terminal hydrolase 7 (EC 3.4.19.12)protein31721% helix, 31% strandQ93009
CUbiquitin carboxyl-terminal hydrolase 7 (EC 3.4.19.12)protein23120% helix, 33% strandQ93009
DUbiquitin carboxyl-terminal hydrolase 7 (EC 3.4.19.12)protein22821% helix, 34% strandQ93009
EPeptide from E3 ubiquitin-protein ligase RNF169 (EC 6.3.2.-)protein110% helix, 0% strandQ8NCN4
FPeptide from E3 ubiquitin-protein ligase RNF169 (EC 6.3.2.-)protein90% helix, 0% strandQ8NCN4
GPeptide from E3 ubiquitin-protein ligase RNF169 (EC 6.3.2.-)protein100% helix, 0% strandQ8NCN4
HPeptide from E3 ubiquitin-protein ligase RNF169 (EC 6.3.2.-)protein120% helix, 0% strandQ8NCN4

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111200.820.8396empty
24740.720.8233empty
35750.690.7837empty
44510.690.8053empty
52470.530.7631empty

Interfaces

13 interfaces between chains.

  • A–E · 799 Ų buried · 14 hydrogen bonds · protein-protein
  • D–H · 764 Ų buried · 14 hydrogen bonds · protein-protein
  • C–G · 706 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 696 Ų buried · 5 hydrogen bonds · protein-protein
  • B–F · 639 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 5GG4 · Crystal structure of USP7 with RNF169 peptide · the same entry in another collection · chain H against H, TM-score 1.00
  • Q8NCN4 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase RNF169 (Q8NCN4) · a predicted model of the same protein · chain G against A, TM-score 0.44

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