Structure of PDB 6cef Chain A

Receptor sequence
>6cefA (length=100) Species: 9606 (Homo sapiens) [Search protein sequence]
PLPWCPHLVAVCPIPAAGLDVTQPCGDCGTIQENWVCLSCYQVYCGRYIN
GHMLQHHGNSGHPLVLSYIDLSAWCYYCQAYVHHQALLDVKNIAHQNKFG
3D structure
PDB6cef Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
ChainA
Resolution1.8 Å
3D
structure
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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 EYJ A W1143 G1154 R1155 W1182 Y1184 Y1189 W35 G46 R47 W74 Y76 Y81 MOAD: ic50=180uM
PDBbind-CN: -logKd/Ki=3.74,IC50=180uM
BindingDB: IC50=180000nM
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:6cef, PDBe:6cef, PDBj:6cef
PDBsum6cef
PubMed29741882
UniProtQ9UBN7|HDAC6_HUMAN Histone deacetylase 6 (Gene Name=HDAC6)

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