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MolNFT v1 · #131932 · protein

Covalent fragment group deposition -- crystal structure of OUTB2 in complex with pcm-0103050

5QIQ: “Covalent fragment group deposition -- crystal structure of OUTB2 in complex with pcm-0103050”. X-ray diffraction, 1 ligand (J5A). MolNFT v1 #131932 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5QIQ
Type
protein
Length
225 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q96DC9
Ligands
J5A

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein225—Q96DC9

Ligands and binding sites

  • J5A · N-[(4-bromothiophen-2-yl)methyl]acetamide · ligand · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Compared structures

  • Q96DC9 · AlphaFold monomer V2.0 prediction for ubiquitin thioesterase OTUB2 (Q96DC9) · a predicted model of the same protein · chain A against A, TM-score 0.98

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