Structure of PDB 6cea Chain A

Receptor sequence

>6ceaA (length=99) Species: 9606 (Homo sapiens)

PLPWCPHLVAVCPIPAAGLDVTQPCGDCGTIQENWVCLSCYQVYCGRYIN
GHMLQHHGNSGHPLVLSYIDLSAWCYYCQAYVHHQALLDVKNIAHQNKF

3D structure

• PDB: 6cea Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
• Chain: A
• Resolution: 1.6 Å

Enzymatic activity

• Enzyme Commision number: 3.5.1.-
  3.5.1.98: histone deacetylase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	A	C1145 C1148 H1164 H1170	C37 C40 H56 H62
BS02	ZN	A	C1133 C1136 C1153 H1160	C25 C28 C45 H52
BS03	ZN	A	C1113 H1115 C1183 C1186	C5 H7 C75 C78
BS04	EYY	A	W1143 G1154 R1155 W1182 Y1184 Y1189	W35 G46 R47 W74 Y76 Y81	PDBbind-CN: -logKd/Ki=3.14,Kd>720uM BindingDB: IC50=>720000nM

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding

External links

• PDB: RCSB:6cea, PDBe:6cea, PDBj:6cea
• PDBsum: 6cea
• PubMed: 29741882
• UniProt: Q9UBN7|HDAC6_HUMAN Histone deacetylase 6 (Gene Name=HDAC6)