Structure of PDB 6wwh Chain K Binding Site BS02

Receptor Information
>6wwh Chain K (length=366) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNSQVTVAVRVRPFSKREKTEKASQVVFTNGEEITVEHPDMKQVYSFIYD
VSFWSFDECHPGYASQTTVYETLAAPLLDRAFEGYNTCLFAYGQTGSGKS
YTMMGLNEEPGIIPRFCEDLFAQIAKKQTSEVSYHLEMSFFEVYNEKIHD
LLVCKGENGQRKQPLRAREHPVSGPYVEGLSMNVVSSYSDIQSWLELGNK
QRATAATGMNDKSSRSHSVFTLVMTQTKTEVVEGEEHDHRITSRINLVDL
AGSERCSTAHSSGQRLKEGVSINKSLLTLGKVISALSEQANGKRVFIPYR
ESTLTWLLKESLGGNSKTAMIATVSPAASNIEETLSTLRYATQARLIVNI
AKVNEDMNAKLIRELK
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain6wwh Chain K Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6wwh Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		R401 P402 S444 T484 G485 G487 K488 S489 Y490 S602 S603
Binding residue
(residue number reindexed from 1)		R12 P13 S55 T95 G96 G98 K99 S100 Y101 S213 S214
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:6wwh, PDBe:6wwh, PDBj:6wwh
PDBsum6wwh
PubMed34131133
UniProtL0N7N1|KIF14_MOUSE Kinesin-like protein KIF14 (Gene Name=Kif14)

[Back to BioLiP]