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MolNFT v1 · #124501 · protein

Crystal structure of fragment (3-(5-chloro-1,3-benzothiazol-2-yl) propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain

5KH3 · Histone deacetylase 6: “Crystal structure of fragment (3-(5-chloro-1,3-benzothiazol-2-yl) propanoic acid) bound in the ubiquitin…”. X-ray diffraction, 3 ligands (6U6, ZN, UNX). MolNFT v1 #124501 on GenesisL1: 3D structure, binding…

PDB
5KH3
Type
protein
Length
101 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone deacetylase 6
EC
3.5.1.98
UniProt
Q9UBN7
Ligands
6U6, ZN, UNX

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone deacetylase 6 (EC 3.5.1.98)protein10127% helix, 18% strandQ9UBN7

Ligands and binding sites

  • 6U6 · 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid · ligand · chains A
  • ZN · Zinc ion · metal · 3 copies · chains A
  • UNX · Unknown atom or ion · ion · 13 copies · chains A

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

Compared structures

  • 5KH3 · Crystal structure of fragment (3-(5-Chloro-1,3-benzothiazol-2-yl)propanoic acid) bound in… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UBN7 · AlphaFold monomer V2.0 prediction for histone deacetylase 6 (Q9UBN7) · a predicted model of the same protein · chain A against A, TM-score 0.99

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