Structure of PDB 6cec Chain A

Receptor sequence
>6cecA (length=100) Species: 9606 (Homo sapiens) [Search protein sequence]
SPLPWCPHLVAVCPIPAAGLDVTQPCGDCGTIQENWVCLSCYQVYCGRYI
NGHMLQHHGNSGHPLVLSYIDLSAWCYYCQAYVHHQALLDVKNIAHQNKF
3D structure
PDB6cec Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
ChainA
Resolution1.55 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 H1164 H1170 C38 H57 H63
BS02 ZN A C1133 C1136 C1153 H1160 C26 C29 C46 H53
BS03 ZN A C1113 H1115 C1183 C1186 C6 H8 C76 C79
BS04 EY7 A W1143 R1155 W1182 Y1184 Y1189 W36 R48 W75 Y77 Y82 MOAD: ic50=45uM
PDBbind-CN: -logKd/Ki=4.35,IC50=45uM
BindingDB: IC50=45000nM
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:6cec, PDBe:6cec, PDBj:6cec
PDBsum6cec
PubMed29741882
UniProtQ9UBN7|HDAC6_HUMAN Histone deacetylase 6 (Gene Name=HDAC6)

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