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MolNFT v1 · #131939 · protein

Covalent fragment group deposition -- crystal structure of OUTB2 in complex with pcm-0103007

5QIX · Ubiquitin thioesterase OTUB2: “Covalent fragment group deposition -- crystal structure of OUTB2 in complex with pcm-0103007”. X-ray diffraction, 2 ligands (J5V, UNL). MolNFT v1 #131939 on GenesisL1: 3D structure, binding sites and…

PDB
5QIX
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin thioesterase OTUB2
EC
3.4.19.12
UniProt
Q96DC9
Ligands
J5V, UNL

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin thioesterase OTUB2 (EC 3.4.19.12)protein22356% helix, 13% strandQ96DC9

Ligands and binding sites

  • J5V · N-(3-phenylprop-2-yn-1-yl)acetamide · ligand · chains A
  • UNL · Unknown ligand · ion · 3 copies · chains A
  • EDO · 1,2-ethanediol · additive · 7 copies · chains A

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

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 5QIX · Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96DC9 · AlphaFold monomer V2.0 prediction for ubiquitin thioesterase OTUB2 (Q96DC9) · a predicted model of the same protein · chain A against A, TM-score 0.99

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