Structure of PDB 2aqx Chain B Binding Site BS01

Receptor Information
>2aqx Chain B (length=287) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQWSPFVMSFKKKYPWIQLAGHAGSFKAAANGRILKKHCESEQRCLDRLM
ADVLRPFVPAYHGDVVKDGERYNQMDDLLADFDSPCVMDCKMGVRTYLEE
ELTKARKKPSLRKDMYQKMVEVDPEAPTEEEKAQRAVTKPRYMQWRETIS
STATLGFRIEGIKKEDGSVNRDFKKTKTREQVTEAFREFTKGNQNILIAY
RDRLKAIRATLEISPFFKCHEVIGSSLLFIHDKKEQAKVWMIDFGKTTPL
PEGQTLQHDVPWQEGNREDGYLSGLDNLIDILTEMSQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2aqx Chain B Residue 1600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2aqx Structural insights into enzyme regulation for inositol 1,4,5-trisphosphate 3-kinase B
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K741 D893
Binding residue
(residue number reindexed from 1)		K91 D243
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.-.-
Gene Ontology
Molecular Function
GO:0016301 kinase activity
Biological Process
GO:0032958 inositol phosphate biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2aqx, PDBe:2aqx, PDBj:2aqx
PDBsum2aqx
PubMed16262249
UniProtB2RXC2

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