Structure of PDB 2heh Chain A Binding Site BS01

Receptor Information
>2heh Chain A (length=324) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NWEFARMIKEFRATLECHPLTMTDPIEEHRICVCVRKRPLNKQELAKKEI
DVISIPSKCLLLVHEPKLKVDLTKYLENQAFCFDFAFDETASNEVVYRFT
ARPLVQTIFEGGKATCFAYGQTGSGKTHTMGKGIYAMASRDVFLLKNQPC
YRKLGLEVYVTFFEIYNGKLFDLLNKKAKLRVLEDGKQQVQVVGLQEHLV
NSADDVIKMIDMGSACRNSSRSHACFQIILRAKGRMHGKFSLVDLAGNEG
AEINKSLLALKECIRALGQNKAHTPFRESKLTQVLRDSFIGENSRTCMIA
TISPGISSCEYTLNTLRYADRVKE
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain2heh Chain A Residue 601 [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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PDB2heh Crystal structure of the kif2c motor domain
Resolution2.15 Å
Binding residue
(original residue number in PDB)		R266 P267 T350 G351 G353 K354 T355 H356
Binding residue
(residue number reindexed from 1)		R38 P39 T122 G123 G125 K126 T127 H128
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003777 microtubule motor activity
GO:0005524 ATP binding
GO:0008017 microtubule binding
Biological Process
GO:0007018 microtubule-based movement

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2heh, PDBe:2heh, PDBj:2heh
PDBsum2heh
PubMed
UniProtQ99661|KIF2C_HUMAN Kinesin-like protein KIF2C (Gene Name=KIF2C)

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