Structure of PDB 4tyo Chain A

Receptor sequence
>4tyoA (length=113) Species: 9606 (Homo sapiens) [Search protein sequence]
EPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKSGE
EDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPV
FTDSGIHIILRTE
3D structure
PDB4tyo Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket.
ChainA
Resolution1.75 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) H9 C63 Q81 S104 H107
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 39X A H59 L61 K63 C113 S115 L122 Q131 F134 S154 H157 H9 L11 K13 C63 S65 L72 Q81 F84 S104 H107 MOAD: Ki=0.08uM
PDBbind-CN: -logKd/Ki=7.10,Ki=0.08uM
Gene Ontology
Molecular Function
GO:0003755 peptidyl-prolyl cis-trans isomerase activity

View graph for
Molecular Function
External links
PDB RCSB:4tyo, PDBe:4tyo, PDBj:4tyo
PDBsum4tyo
PubMed25091930
UniProtQ13526|PIN1_HUMAN Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Gene Name=PIN1)

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