Structure of PDB 5gsz Chain A Binding Site BS01

Receptor Information
>5gsz Chain A (length=306) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLMVALRVRPISVAELEEGATLIAHKMDEQMVVLMDPMEDPDDILRAHRS
REKSYLFDVAFDFTATQEMVYQATTKSLIEGVISGYNATVFAYGPTGCGK
TYTMLGTDHEPGIYVRTLNDLFRAIEETSNDMEYEVSMSYLEIYNEMIRD
LLNPALGYLELREDSVIQVAGITEVSTINAKEIMQLLMKGNRQRTQEPTQ
TSSRSHAVLQVAVRQRSRVKNILQEVRQGRLFMIDLAGSELLALGNCINA
LSDKGSNKYINYRDSKLTRLLKDSLGGNSRTVMIAHISPASTAFEESRNT
LTYAGR
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 chain5gsz Chain A 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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PDB5gsz Motility and microtubule depolymerization mechanisms of the Kinesin-8 motor, KIF19A
Resolution2.72 Å
Binding residue
(original residue number in PDB)		R19 P20 G107 G109 K110 T111 Y112
Binding residue
(residue number reindexed from 1)		R9 P10 G97 G99 K100 T101 Y102
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:5gsz, PDBe:5gsz, PDBj:5gsz
PDBsum5gsz
PubMed27690357
UniProtQ99PT9|KIF19_MOUSE Kinesin-like protein KIF19 (Gene Name=Kif19)

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