Structure of PDB 1u5q Chain A Binding Site BS01

Receptor Information
>1u5q Chain A (length=309) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPDVAELFFKDDPEKLFSDLREIGHGSFGAVYFARDVRNSEVVAIKKMSY
SGKQSNEKWQDIIKEVRFLQKLRHPNTIQYRGCYLREHTAWLVMEYCLGS
ASDLLEVHKKPLQEVEIAAVTHGALQGLAYLHSHNMIHRDVKAGNILLSE
PGLVKLGDFGSASIMAPANSFVGTPYWMAPEVILAMDEGQYDGKVDVWSL
GITCIELAERKPPLFNMNAMSALYHIAQNESPALQSGHWSEYFRNFVDSC
LQKIPQDRPTSEVLLKHRFVLRERPPTVIMDLIQRTKDAVRELDNLQYRK
MKKILFQEA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1u5q Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1u5q Crystal Structure of the TAO2 Kinase Domain; Activation and Specificity of a Ste20p MAP3K.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N180 S181
Binding residue
(residue number reindexed from 1)		N169 S170
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D151 K153 G155 N156 D169 P178 T185
Catalytic site (residue number reindexed from 1) D140 K142 G144 N145 D158 P167 T174
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:1u5q, PDBe:1u5q, PDBj:1u5q
PDBsum1u5q
PubMed15458637
UniProtQ9JLS3|TAOK2_RAT Serine/threonine-protein kinase TAO2 (Gene Name=Taok2)

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