Structure of PDB 5zbs Chain B Binding Site BS01

Receptor Information
>5zbs Chain B (length=333) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKVKVAVRVRPMNRREIDLHTKCVVDVEANKVILNPIGQPKIFAYDHCFW
SMDESVREKCAGQDDVFKCLGENILQNAFDGYNACIFAYGQTGSGKSYTM
MGTADQPGLIPRLCSGLFERTQKEENEEQSFKVEVSYMEIYNEKVRDLLD
RQTLKVREHSVLGPYVDGLSKLAVTSYKDIESLMSEGNKSRTSRSHAVFK
ITLTHTLYDVKSGTSGEKVGKLSLVDLAGSERSNINKSLTTLGLVISALA
DQGAGKNKKFVPYRDSVLTWLLKDSLGGNSKTAMVATVSPAADNYDETLS
TLRYADRAKHIINHAVVNEDPNARIIRDLHHHH
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 chain5zbs Chain B Residue 402 [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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PDB5zbs Structural Delineation of the Neck Linker of Kinesin-3 for Processive Movement.
Resolution2.203 Å
Binding residue
(original residue number in PDB)		R11 R13 P14 T105 G106 G108 K109 S110 Y111
Binding residue
(residue number reindexed from 1)		R8 R10 P11 T92 G93 G95 K96 S97 Y98
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:5zbs, PDBe:5zbs, PDBj:5zbs
PDBsum5zbs
PubMed29752968
UniProtA0A0G2K8Z9

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