Structure of PDB 7lff Chain A Binding Site BS01

Receptor Information
>7lff Chain A (length=331) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SISVAVRVRPFTEAESNRLGLRKIINVVDDRMLIFDPPETNPLTKMQRNA
EHRFVFDRLFDEDCTQDQVYRNTTQPLLDSVLDGYNATVFAYGATGCGKT
HTISGTPEDPGVIFLTMKELYNRIEELKDTKIIDISLSYLEIYNETIRDL
LNPMTQCKNLVIREDANNKISVSNLSRHRPNSVEEVMQLILEGNKNRTCS
PTEANATSSRSHAVLQINVIQKDRTGDITEEHTFATLSIIDLAGSERGAN
INKSLLALGNCINALCDPRRRNHVPYRDSKLTRLLKFSLGGNCKTVMIVC
VSPSSQHYDETLNTLKYADRAKEIKTKLIRN
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7lff Chain A Residue 501 [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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PDB7lff Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		R31 P34 G188 G190 K191 T192 H193
Binding residue
(residue number reindexed from 1)		R7 P10 G96 G98 K99 T100 H101
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:7lff, PDBe:7lff, PDBj:7lff
PDBsum7lff
PubMed35859148
UniProtA0A1D8PKA4

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