Structure of PDB 4yfi Chain A

Receptor sequence
>4yfiA (length=268) Species: 9606 (Homo sapiens) [Search protein sequence]
EKADILLLRAGLPSHFHLQLSEIEFHEIIGSGSFGKVYKGRCRNKIVAIK
RYRSDVDMFCREVSILCQLNHPCVIQFVGACLNDPSQFAIVTQYISGGSL
FSLLHEQKRILDLQSKLIIAVDVAKGMEYLHNLTQPIIHRDLNSHNILLY
EDGHAVVADFGESRFLQGNLRWMAPEVFTQCTRYTIKADVFSYALCLWEI
LTGEIPFAHLKPAAADMDMAYHHIRPPIGYSIPKPISSLLIRGWNACPEG
RPEFSEVVMKLEECLCNI
3D structure
PDB4yfi Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
ChainA
Resolution2.7 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D588 N590 H592 N593 D606 N627
Catalytic site (residue number reindexed from 1) D141 N143 H145 N146 D159 N169
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
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 4CW A I469 V477 A488 K490 T539 Y541 I542 L595 D606 I29 V37 A48 K50 T92 Y94 I95 L148 D159 PDBbind-CN: -logKd/Ki=6.30,IC50=500nM
BindingDB: IC50=500nM,Kd=111nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:4yfi, PDBe:4yfi, PDBj:4yfi
PDBsum4yfi
PubMed26355916
UniProtQ59H18|TNI3K_HUMAN Serine/threonine-protein kinase TNNI3K (Gene Name=TNNI3K)

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