Structure of PDB 7z2b Chain K Binding Site BS01

Receptor Information
>7z2b Chain K (length=308) Species: 5821 (Plasmodium berghei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITYNMNVVIRCRPMSNSEKNEGAKNVIKIMDNKMIVLLKEKRYCFDYVFD
ENSTQEDVYNNSVKPLVDAVIKGYNSTVFAYGATGAGKTHTIIGYKNEPG
IMMMILQDLFKKIKTLKANEYKIKCSFIEIYNENICDLLNPSSEYLDLRE
DPVKGITVSNIFEVCTTSVEEIMELIHTGNRNRTSRSHGVLQVIVEETEK
GQGLYQQTKKGKLCVIDLAGSERGMRMLEGANINRSLLALGNVINALVSR
SKGTSKSNFIPFRDSKLTRLLKDSLGGNCKTLMIANISPSHLSYEDTHNT
LKYANRAK
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 chain7z2b Chain K 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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PDB7z2b Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		P14 T100 G103 K104 T105 H106 Y111 S212 G247
Binding residue
(residue number reindexed from 1)		P13 T84 G87 K88 T89 H90 Y95 S185 G220
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:7z2b, PDBe:7z2b, PDBj:7z2b
PDBsum7z2b
PubMed36384964
UniProtA0A509AB64

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