Structure of PDB 6zph Chain B Binding Site BS01

Receptor Information
>6zph Chain B (length=315) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIKVFVRIRPPANLSLSVLSSTSLRLHSNPEPKTFTFDHVADVDTTQESV
FATVAKSIVESCMSGYNGTIFAYGQTGSGKTFTMMGPSESFSHNLRGVIP
RSFEYLFSLIDREKEKSFLSKCSFIEIYNEQIYDLLDSASAGLYLREHIK
KGVFVVGAVEQVVTSAAEAYQVLSGGWRNRRVASTSMNRESSRSHAVFTI
TIESMEKCVNIRTSLLNLVDLAGSERQKDTHAEGMRLKEAGNINRSLSTL
GQVITALVDVGNQRHVSYRDSKLTFLLRDSLGGNAKTAIIANVHPGSRSF
GETLSTLNFAQRAKL
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 chain6zph Chain B Residue 600 [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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PDB6zph The mechanism of kinesin inhibition by kinesin-binding protein.
Resolution6.9 Å
Binding residue
(original residue number in PDB)		R34 P35 G112 S113 G114 K115 T116 F117
Binding residue
(residue number reindexed from 1)		R9 P10 G77 S78 G79 K80 T81 F82
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:6zph, PDBe:6zph, PDBj:6zph
PDBsum6zph
PubMed33252036
UniProtQ9NS87|KIF15_HUMAN Kinesin-like protein KIF15 (Gene Name=KIF15)

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