Structure of PDB 1t5c Chain B Binding Site BS01

Receptor Information
>1t5c Chain B (length=310) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAVAVCVRVRPLNAQVYWKTDNNVIYQVDGSKSFNFDRVFHGNETTKNVY
EEIAAPIIDSAIQGYNGTIFAYGQTASGKTYTMMGSEDHLGVIPRAIHDI
FQKIKKFPDREFLLRVSYMEIYNETITDLLCGTQKMKPLIIREDVNRNVY
VADLTEEVVYTSEMALKWITKGEKSRHYGETKMNQRSSRSHTIFRMILES
REKSVKVSHLNLVDLAGSERAALKEGCNINRSLFILGQVIKKLSDGQVGG
FINYRDSKLTRILQNSLGGNAKTRIICTITPVSFDETLTALQFASTAKYM
KNTPYVNEVS
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 chain1t5c Chain B Residue 700 [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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PDB1t5c Crystal structure of the motor domain of the human kinetochore protein CENP-E.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R12 P15 T88 A89 S90 G91 K92 T93 Y94
Binding residue
(residue number reindexed from 1)		R8 P11 T75 A76 S77 G78 K79 T80 Y81
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:1t5c, PDBe:1t5c, PDBj:1t5c
PDBsum1t5c
PubMed15236970
UniProtQ02224|CENPE_HUMAN Centromere-associated protein E (Gene Name=CENPE)

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