Structure of PDB 1f9w Chain B Binding Site BS01

Receptor Information
>1f9w Chain B (length=300) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNIRVYCRIRPALKNLEDTSLINVNEFDDNSGVQSMEVTVHEFKFDKIFD
QQDTNVDVFKEVGQLVQSSLDGYNVCIFAYGQTGSGKTFTMLNPGDGIIP
STISHIFNWINKLKTKGWDYKVNCEFIEIYNENIVDLLRLKHEIRHDQET
KTTTITNVTSCKLESEEMVEIILKKANKLRSTHSSRSHSIFIIHLSGSNA
KTGAHSYGTLNLVDLAGSARLRETQNINKSLSCLGDVIHALGQPDSTKRH
IPFRNSKLTYLLQYSLTGDSKTLMFVNISPSSSHINETLNSLRFASKVNS
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 chain1f9w Chain B Residue 999 [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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PDB1f9w A structural pathway for activation of the kinesin motor ATPase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R392 R394 P395 T476 G477 S478 G479 K480 T481 F482
Binding residue
(residue number reindexed from 1)		R8 R10 P11 T83 G84 S85 G86 K87 T88 F89
Annotation score5
Enzymatic activity
Enzyme Commision number 5.6.1.4: minus-end-directed kinesin ATPase.
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:1f9w, PDBe:1f9w, PDBj:1f9w
PDBsum1f9w
PubMed11387196
UniProtP17119|KAR3_YEAST Kinesin-like protein KAR3 (Gene Name=KAR3)

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