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MolNFT v1 · #96467 · protein

Crystal structure of the S18Y variant of ubiquitin carboxy-terminal hydrolase L1

4JKJ · Ubiquitin carboxyl-terminal hydrolase isozyme L1: “Crystal structure of the S18Y variant of ubiquitin carboxy-terminal hydrolase L1”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.53). MolNFT v1 #96467 on…

PDB
4JKJ
Type
protein
Length
446 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin carboxyl-terminal hydrolase isozyme L1
EC
3.4.19.12
UniProt
P09936
Ligands
SO4
Pockets
5 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BUbiquitin carboxyl-terminal hydrolase isozyme L1 (EC 3.4.19.12)protein22338% helix, 21% strandP09936

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11000.530.8327SO4
21430.490.7826SO4
31330.420.7522empty
4550.310.7612empty
5500.250.7314empty

Interfaces

1 interface between chains.

  • A–B · 595 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 4JKJ · Crystal Structure of the S18Y Variant of Ubiquitin Carboxy-terminal Hydrolase L1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P09936 · AlphaFold monomer V2.0 prediction for ubiquitin carboxyl-terminal hydrolase isozyme L1… · a predicted model of the same protein · chain A against A, TM-score 0.97

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