GL1X · GenesisL1 explorer

MolNFT v1 · #140977 · protein

Sdea mart-C domain wt apo

5YSJ · UBIQUITINATING/DEUBIQUITINATING enzyme sdea: “Sdea mart-C domain wt apo”. X-ray diffraction, 8 pockets (best druggability 0.73). MolNFT v1 #140977 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5YSJ
Type
protein
Length
560 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
UBIQUITINATING/DEUBIQUITINATING enzyme sdea
EC
3.4.22.-
UniProt
Q5ZTK4
Pockets
8 · best druggability 0.73

Structure

x-ray diffraction · 4 distinct chains · 29% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUBIQUITINATING/DEUBIQUITINATING enzyme sdea (EC 3.4.22.-)protein13830% helix, 33% strandQ5ZTK4
BUBIQUITINATING/DEUBIQUITINATING enzyme sdea (EC 3.4.22.-)protein14028% helix, 35% strandQ5ZTK4
CUBIQUITINATING/DEUBIQUITINATING enzyme sdea (EC 3.4.22.-)protein13828% helix, 33% strandQ5ZTK4
DUBIQUITINATING/DEUBIQUITINATING enzyme sdea (EC 3.4.22.-)protein14429% helix, 32% strandQ5ZTK4

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17410.730.7975empty
21800.570.8124empty
31120.460.7919empty
41280.450.7719empty
51260.430.7619empty

Interfaces

4 interfaces between chains.

  • A–C · 1077 Ų buried · 15 hydrogen bonds · protein-protein
  • B–D · 1066 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 355 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 235 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 5YSJ · SdeA mART-C domain WT apo · the same entry in another collection · chain D against D, TM-score 1.00
  • Q5ZTK4 · AlphaFold monomer V2.0 prediction for UBIQUITINATING/DEUBIQUITINATING enzyme sdea (Q5ZTK4) · a predicted model of the same protein · chain A against A, TM-score 0.84

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