Structure of PDB 6nje Chain A Binding Site BS01

Receptor Information
>6nje Chain A (length=297) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LYFQGPPARVRVAVRLRPFVCSLEIANWRNHQETLKYQFDAFYGERSTQQ
DIYAGSVQPILRHLLEGQNASVLAYGPTGAGKTHTMLGSPEQPGVIPRAL
MDLLQLTREEGAEGRPWALSVTMSYLEIYQEKVLDLLDPASGDLVIREDC
RGNILIPGLSQKPISSFADFERHFLPASRRSSRSHAVLLVKVDQRERLAP
FRQREGKLYLIDLAGSEDNRRTGAINTSLFVLGKVVDALNQGLPRVPYRD
SKLTRLLQDSLGGSAHSILIANIAPERRFYLDTVSALNFAARSKEVI
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 chain6nje Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6nje Crystal structure of the motor domain of human kinesin family member 22
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R51 P52 T129 G130 G132 K133 T134 H135
Binding residue
(residue number reindexed from 1)		R17 P18 T78 G79 G81 K82 T83 H84
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:6nje, PDBe:6nje, PDBj:6nje
PDBsum6nje
PubMed
UniProtQ14807|KIF22_HUMAN Kinesin-like protein KIF22 (Gene Name=KIF22)

[Back to BioLiP]