Structure of PDB 6wwr Chain K Binding Site BS01

Receptor Information
>6wwr Chain K (length=345) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSQVTVAVRVRPFSKREKTEKASQVVFTNGEEITVEHPDMKQVYSFIYDV
SFWSFDECHPGYASQTTVYETLAAPLLDRAFEGYNTCLFAYGQTGSGKSY
TMMGLNEEPGIIPRFCEDLFAQIAKKQTSEVSYHLEMSFFEVYNEKIHDL
LVCKGENGQRKQPLRAREHPVSGPYVEGLSMNVVSSYSDIQSWLELGNKQ
RATAATGMNDKSSRSHSVFTLVMTQTKTEVVEGEEHDHRITSRINLVDLA
GSERCSTAHSSGQRLKEGVSINKSLLTLGKVISALSEQANGKRVFIPYRE
STLTWLLKESLGGNSKTAMIATVSPAASNIEETLSTLRYATQARL
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 chain6wwr Chain K Residue 801 [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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PDB6wwr Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		P402 T484 G487 S489 Y490
Binding residue
(residue number reindexed from 1)		P12 T94 G97 S99 Y100
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:6wwr, PDBe:6wwr, PDBj:6wwr
PDBsum6wwr
PubMed34131133
UniProtL0N7N1|KIF14_MOUSE Kinesin-like protein KIF14 (Gene Name=Kif14)

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