Structure of PDB 7tqx Chain K Binding Site BS01

Receptor Information
>7tqx Chain K (length=360) Species: 5476 (Candida albicans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQSSISVAVRVRPFTEAESNRLVKIDNGGLRKIINVVDDRMLIFDPPETN
PLTKMQRNAFPNSFKGSRIREHRFVFDRLFDEDCTQDQVYRNTTQPLLDS
VLDGYNATVFAYGATGCGKTHTISGTPEDPGVIFLTMKELYNRIEELKDT
KIIDISLSYLEIYNETIRDLLNPMTQCKNLVIREDANNKISVSNLSRHRP
NSVEEVMQLILEGNKNRTCSPTEANATSSRSHAVLQINVIQKDRTGDITE
EHTFATLSIIDLAGSERAAATKNRGARLNEGANINKSLLALGNCINALCD
PRRRNHVPYRDSKLTRLLKFSLGGNCKTVMIVCVSPSSQHYDETLNTLKY
ADRAKEIKTK
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 chain7tqx Chain K Residue 502 [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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PDB7tqx Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R33 P34 T36 T187 G188 G190 T192 H193
Binding residue
(residue number reindexed from 1)		R12 P13 T15 T115 G116 G118 T120 H121
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:7tqx, PDBe:7tqx, PDBj:7tqx
PDBsum7tqx
PubMed35859148
UniProtA0A1D8PKA4

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