Structure of PDB 7a5e Chain B Binding Site BS01

Receptor Information
>7a5e Chain B (length=335) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAESVRVAVRCRPFNQREKDLNTTLCVGMTPNVGQVNLNAPDGAAKDFTF
DGAYFMDSTGEQIYNDIVFPLVENVIEGYNGTVFAYGQTGSGKTFSMQGI
ETIPAQRGVIPRAFDHIFTATATTENVKFLVHCSYLEIYNEEVRDLLGAD
NKQKLEIKEQPGVYVAGLSMHVCHDVPACKELMTRGFNNRHVGATLMNKD
SSRSHSIFTVYVEGMTETGSIRMGKLNLVDLAGSERQSKTGATGDRLKEA
TKINLSLSALGNVISALVDGKSKHIPYRDSKLTRLLQDSLGGNTKTIMIA
CVSPSSDNYDETLSTLRYANRAKNIKNKPTINEDP
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 chain7a5e Chain B Residue 401 [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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PDB7a5e Structural snapshots of the kinesin-2 OSM-3 along its nucleotide cycle: implications for the ATP hydrolysis mechanism.
Resolution1.904 Å
Binding residue
(original residue number in PDB)		P13 T89 G90 G92 K93 T94 F95 N200 S203 S204 G235
Binding residue
(residue number reindexed from 1)		P13 T89 G90 G92 K93 T94 F95 N198 S201 S202 G233
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:7a5e, PDBe:7a5e, PDBj:7a5e
PDBsum7a5e
PubMed33513284
UniProtP46873|OSM3_CAEEL Osmotic avoidance abnormal protein 3 (Gene Name=osm-3)

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