Structure of PDB 5mwl Chain A Binding Site BS02

Receptor Information
>5mwl Chain A (length=421) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMDENEWSYHGEGNKSLVVAHAQRCVVLRFLKFPPNKKKTSEEILQHLQN
IVDFGKNVMKDFLGENYVHCGEVVQLPLEFVKQLCLKIQCERPEKDLDTF
SGYAMCLPNLTRLQTFHFAEHRPILCVEIKPKCGFIPFSNDVTHEMKHKV
CRYCMHQHLKVATGKWKKISKYCPLDLYSGNKQRMHFALRSLLQETQNNL
RIFKNGELIYGCPVADLKELAHHLKPFFFPSNGLASGPHCTKAVIRELVH
VITRVLLSSSEKARAGALRLGLQGPRVCEASPGLPKGCLLYKTLQVQMLD
QLDIEGLYPLYKRVEQYLEEFPEERKTLQIDGPYDEVFYQKLLDLSTEDD
GTVAFALTKVQQYRVAMTAKDCSIMIALSPCLQSRLAFSVSVLDLDLKPY
ESIPHQYKLDSKIVNYYSKTV
Ligand information
Ligand ID5MY
InChIInChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+
InChIKeyCTPQAXVNYGZUAJ-KXXVROSKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
CACTVS 3.352O[C@H]1[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
ACDLabs 10.04O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O
OpenEye OEToolkits 1.6.1C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
CACTVS 3.352O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
FormulaC6 H17 O21 P5
NameMYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE
ChEMBL
DrugBank
ZINCZINC000100015963
PDB chain5mwl Chain A Residue 502 [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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PDB5mwl The crystal structure of mammalian inositol 1,3,4,5,6-pentakisphosphate 2-kinase reveals a new zinc-binding site and key features for protein function.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		N18 K19 K138 K140 H164 N206 D400 K441 Q449 L452
Binding residue
(residue number reindexed from 1)		N14 K15 K130 K132 H156 N198 D371 K398 Q406 L409
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.158: inositol-pentakisphosphate 2-kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0035299 inositol-1,3,4,5,6-pentakisphosphate 2-kinase activity
Biological Process
GO:0016310 phosphorylation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5mwl, PDBe:5mwl, PDBj:5mwl
PDBsum5mwl
PubMed28450399
UniProtQ6P1C1|IPPK_MOUSE Inositol-pentakisphosphate 2-kinase (Gene Name=Ippk)

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