Structure of PDB 4ubf Chain D Binding Site BS01

Receptor Information
>4ubf Chain D (length=322) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NWEFARMIKEFRATLECHPLTMTDPIEEHRICVCVRKRPLNKQELAKKEI
DVISIPSKCLLLVHEPKLKVLTKYLENQAFCFDFAFDETASNEVVYRFTA
RPLVQTIFEGGKATCFAYGQTGSGKTHTMGKGIYAMASRDVFLLKNQPCY
RKLGLEVYVTFFEIYNGKLFDLLNKKAKLRVQVVGLQEHLVNSADDVIKM
IDMGSACRNSSRSHACFQIILRAKGRMHGKFSLVDLAGNEADRQTRMEGA
EINKSLLALKECIRALGQKAHTPFRESKLTQVLRDSFIGENSRTCMIATI
SPGISSCEYTLNTLRYADRVKE
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 chain4ubf Chain D Residue 602 [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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PDB4ubf The C-terminal region of the motor protein MCAK controls its structure and activity through a conformational switch.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R264 R266 G351 S352 G353 K354 T355 H356
Binding residue
(residue number reindexed from 1)		R36 R38 G122 S123 G124 K125 T126 H127
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:4ubf, PDBe:4ubf, PDBj:4ubf
PDBsum4ubf
PubMed25915621
UniProtQ99661|KIF2C_HUMAN Kinesin-like protein KIF2C (Gene Name=KIF2C)

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