Structure of PDB 4a14 Chain A Binding Site BS01

Receptor Information
>4a14 Chain A (length=296) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEAPVRVALRVRPLLPKELLHGHQSCLQVEPGLGRVTLGRDRHFGFHVVL
AEDAGQEAVYQACVQPLLEAFFEGFNATVFAYGQTGSGKTYTMGEDEQGI
VPRAMAEAFKLIDENDLLDCLVHVSYLEVYKEEFRDLLEVGTASRDIQLR
EDERGNVVLCGVKEVDVEGLDEVLSLLEMGNAARHTHLSSRSHTVFTVTL
EQRGQLLVSKFHFVDLAGSERVQINSSLLALGNVISALGDPQRRGSHIPY
RDSKITRILKDSLGGNAKTVMIACVSPSSSDFDETLNTLNYASRAQ
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 chain4a14 Chain A Residue 1345 [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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PDB4a14 Structural Insights Into Human Kif7, a Kinesin Involved in Hedgehog Signalling.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R18 R20 P21 T93 G94 G96 K97 T98 Y99
Binding residue
(residue number reindexed from 1)		R10 R12 P13 T85 G86 G88 K89 T90 Y91
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:4a14, PDBe:4a14, PDBj:4a14
PDBsum4a14
PubMed22281744
UniProtQ2M1P5|KIF7_HUMAN Kinesin-like protein KIF7 (Gene Name=KIF7)

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