Structure of PDB 1z2o Chain X Binding Site BS04

Receptor Information
>1z2o Chain X (length=311) Species: 294381 (Entamoeba histolytica HM-1:IMSS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTVSLFIWLPESKQKTLFISTKNHTQFELNNIIFDVTLSTELPDKEPNAI
ITKRTHPVGKMADEMRKYEKDHPKVLFLESSAIHDMMSSREEINALLIKN
NIPIPNSFSVKSKEEVIQLLQSKQLILPFIVKPENAQGTFNAHQMKIVLE
QEGIDDIHFPCLCQHYINHNNKIVKVFCIGNTLKWQTRTSLPNVHRCGIK
SVDFNNQHLEDILSWPEGVIDKQDIIENSANRFGSKILEDPILLNLTSEA
EMRDLAYKVRCALGVQLCGIDFIKENEQGNPLVVDVNVFPSYGGKVDFDW
FVEKVALCYTE
Ligand information
Ligand IDI4P
InChIInChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6+
InChIKeyZAWIXNGTTZTBKV-JMVOWJSSSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
OpenEye OEToolkits 1.5.0C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O
CACTVS 3.341O[C@H]1[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O
CACTVS 3.341O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
FormulaC6 H16 O18 P4
Name(1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATE
ChEMBL
DrugBankDB04300
ZINCZINC000071789370
PDB chain1z2o Chain X Residue 2699 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1z2o Specificity determinants in inositol polyphosphate synthesis: crystal structure of inositol 1,3,4-trisphosphate 5/6-kinase.
Resolution1.24 Å
Binding residue
(original residue number in PDB)		K17 Q141 G142 H147 K179 N291 S295
Binding residue
(residue number reindexed from 1)		K13 Q137 G138 H143 K175 N287 S291
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.134: inositol-tetrakisphosphate 1-kinase.
2.7.1.159: inositol-1,3,4-trisphosphate 5/6-kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
GO:0047325 inositol-3,4,5,6-tetrakisphosphate 1-kinase activity
GO:0052725 inositol-1,3,4-trisphosphate 6-kinase activity
GO:0052726 inositol-1,3,4-trisphosphate 5-kinase activity
Biological Process
GO:0016310 phosphorylation
GO:0032957 inositol trisphosphate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1z2o, PDBe:1z2o, PDBj:1z2o
PDBsum1z2o
PubMed15837423
UniProtQ9XYQ1|ITPK1_ENTH1 Inositol-tetrakisphosphate 1-kinase (Gene Name=ITPK1)

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