Structure of PDB 9fjy Chain A Binding Site BS02

Receptor Information
>9fjy Chain A (length=371) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYV
GDEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVL
LTEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMD
SGDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTA
EREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNER
FRCPEALFQPSFLGMESCGIHETTFNSIMKCDVDIRKDLYANTVLSGGTT
MYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQ
MWISKQEYDESGPSIVHRKCF
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 chain9fjy 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

[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]
PDB9fjy Phalloidin and DNase I-bound F-actin pointed end structures reveal principles of filament stabilization and disassembly
Resolution3.79 Å
Binding residue
(original residue number in PDB)		G13 S14 G156 D157 R210 K213 E214 G302 T303 M305 K336
Binding residue
(residue number reindexed from 1)		G9 S10 G152 D153 R206 K209 E210 G298 T299 M301 K332
Annotation score5
External links
PDB RCSB:9fjy, PDBe:9fjy, PDBj:9fjy
PDBsum9fjy
PubMed
UniProtP60712|ACTB_BOVIN Actin, cytoplasmic 1 (Gene Name=ACTB)

[Back to BioLiP]