Structure of PDB 5tf9 Chain A Binding Site BS04

Receptor Information

>5tf9 Chain A (length=262) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KAVGMSNDGRFLKFDIEIGRGSFKTVYKGLDTETTVEVAWCELQDRKLTK
SERQRFKEEAEMLKGLQHPNIVRFYDSWESTVKCIVLVTELMTSGTLKTY
LKRFKVMKIKVLRSWCRQILKGLQFLHTRTPPIIHRDLKCDNIFITGPTG
SVKIGDLGLATLKGTPEFMAPEMYAAAYDESVDVYAFGMCMLEMATSEYP
YSECQNAAQIYRRVTSGVKPASFDKVAIPEVKEIIEGCIRQNKDERYSIK
DLLNHAFFQEET

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

5tf9 Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5tf9 Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
Resolution	2.5 Å
Binding residue (original residue number in PDB)	S423 C425
Binding residue (residue number reindexed from 1)	S202 C204
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	D349 K351 D353 N354 D368 K375 T386
Catalytic site (residue number reindexed from 1)	D137 K139 D141 N142 D156 K163 T165
Enzyme Commision number	2.7.11.1: non-specific serine/threonine protein kinase.

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:5tf9, PDBe:5tf9, PDBj:5tf9
PDBsum	5tf9
PubMed	27712055
UniProt	Q9H4A3\|WNK1_HUMAN Serine/threonine-protein kinase WNK1 (Gene Name=WNK1)

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