Structure of PDB 3kac Chain B

Receptor sequence
>3kacB (length=115) Species: 9606 (Homo sapiens) [Search protein sequence]
QGEPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKS
GEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSG
PVFTDSGIHIILRTE
3D structure
PDB3kac Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
ChainB
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H59 C113 Q131 S154 H157
Catalytic site (residue number reindexed from 1) H11 C65 Q83 S106 H109
Enzyme Commision number 5.2.1.8: peptidylprolyl isomerase.
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 4BX B H59 K63 R69 F134 S154 H157 H11 K15 R21 F86 S106 H109 MOAD: ic50=740uM
BindingDB: IC50=>10000nM
Gene Ontology
Molecular Function
GO:0003755 peptidyl-prolyl cis-trans isomerase activity

View graph for
Molecular Function
External links
PDB RCSB:3kac, PDBe:3kac, PDBj:3kac
PDBsum3kac
PubMed19969456
UniProtQ13526|PIN1_HUMAN Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Gene Name=PIN1)

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