Structure of PDB 6wwq Chain K Binding Site BS01

Receptor Information
>6wwq Chain K (length=346) 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
STLTWLLKESLGGNSKTAMIATVSPAASNIEETLSTLRYATQARLI
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 chain6wwq 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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PDB6wwq Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R399 P402 G485 G487 K488 S489
Binding residue
(residue number reindexed from 1)		R9 P12 G95 G97 K98 S99
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:6wwq, PDBe:6wwq, PDBj:6wwq
PDBsum6wwq
PubMed34131133
UniProtL0N7N1|KIF14_MOUSE Kinesin-like protein KIF14 (Gene Name=Kif14)

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