Structure of PDB 4gkr Chain A Binding Site BS01

Receptor Information
>4gkr Chain A (length=296) Species: 284593 (Nakaseomyces glabratus CBS 138) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIRVYCRIRPPLPHEDDNIEHIKVQPFDDDNGDQGMTINRGNSQVIPFKF
DKIFDQQETNDEIFKEVGQLIQSSLDGYNVCIFAYGQTGSGKTYTMLNPG
DGIVPATINHIFSWIDKLAARGWSYKVSCEFIEIYNENIVDLLRKHEIRH
DQELKTTYITNITTCVLDSRDTVDKVLKRASTAANEHSSRSHSIFIIHLE
GKNEGTGEKSQGILNLVDLAGSERLSINKSLSCLGDVIHALNSKRHIPFR
NSKLTYLLQYSLIGSSKTLMFVNISPAALHLNETINSLRFASKVNN
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 chain4gkr Chain A Residue 702 [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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PDB4gkr Neck Rotation and Neck Mimic Docking in the Noncatalytic Kar3-associated Protein Vik1.
Resolution2.69 Å
Binding residue
(original residue number in PDB)		R356 R358 P359 T437 G438 G440 K441 T442 Y443
Binding residue
(residue number reindexed from 1)		R7 R9 P10 T88 G89 G91 K92 T93 Y94
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:4gkr, PDBe:4gkr, PDBj:4gkr
PDBsum4gkr
PubMed23043140
UniProtQ6FVW6

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