Structure of PDB 5mw8 Chain A Binding Site BS02

Receptor Information
>5mw8 Chain A (length=414) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMDENEWSYHGEGNKSLVVAHAQRCVVLRFLKFPPNKTSEEILQHLQNIV
DFGKNVMKDFLGENYVHCGEVVQLPLEFVKQLCLKIQCERPESRCDKDLD
TFSGYAMCLPNLTRLHRPILCVEIKPKCGFIPFSNDVTHEMKHKVCRYCM
HQHLKVATGKWKKISKYCPLDLYSGNKQRMHFALRSLLQETQNNLRIFKN
GELIYGCDLKELAHHLKPFFFPSGPHCTKAVIRELVHVITRVLLSSSEKA
RAGALRLGLQGPRVCEASPSGLPKGCLLYKTLQVQMLDQLDIEGLYPLYK
RVEQYLEEFPEERKTLQIDGPYDEVFYQKLLDLSTEDDGTVAFALTKVQQ
YRVAMTAKDCSIMIALSPCPVIPSSRSRLAFSVSVLDLDLKPYESIPHQY
KLDSKIVNYYSKTV
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 chain5mw8 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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PDB5mw8 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.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N18 K19 R100 K138 K140 K168 N206 D400 K441 Q449
Binding residue
(residue number reindexed from 1)		N14 K15 R94 K125 K127 K155 N193 D359 K391 Q399
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:5mw8, PDBe:5mw8, PDBj:5mw8
PDBsum5mw8
PubMed28450399
UniProtQ6P1C1|IPPK_MOUSE Inositol-pentakisphosphate 2-kinase (Gene Name=Ippk)

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