Structure of PDB 1dfl Chain A Binding Site BS01

Receptor Information
>1dfl Chain A (length=772) Species: 31199 (Argopecten irradians) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSDPDFQYLAVDQTAAFDGKKNCWVPDEKEGFASAEIQSSKGDEITVKIV
ADSSTRTVKKDDIQSMNPPKFEKLEDMANMTYLNEASVLYNLRSRYTSGL
IYTYSGLFCIAVNPYRRLPIYTDSVIAKYRGKRKTEIPPHLFSVADNAYQ
NMVTDRENQSCLITGESGAGKTENTKKVIMYLAKVEDQIIQANPVLEAYG
NAKTTRNNNSSRFGKFIRIHFGPTGKIAGADIETYLLEKSRVTYQQSAER
NYHIFYQICSNAIPELNDVMLVTPDSGLYSFINQGCLTVDNIDDVEEFKL
CDEAFDILGFTKEEKQSMFKCTASILHMGEMKFKQRPREEQAESDGTAEA
EKVAFLCGINAGDLLKALLKPKVTKGQNMNQVVNSVGALAKSLYDRMFNW
LVRRVNKTLDTKAKRNYYIGVLDIAGFEIFDFNSFEQLCINYTNERLQQF
FNHHMFILEQEEYKKEGIAWEFIDFGMDLQMCIDLIEKPMGILSILEEEC
MFPKADDKSFQDKLYQNHMGKNRMFTKPGKPTRPNQGPAHFELHHYAGNV
PYSITGWLEKNKDPINENVVALLGASKEPLVAEQTISAVHRESLNKLMKN
LYSTHPHFVRCIIPNELKQPGLVDAELVLHQLQCNGVLEGIRICRKGFPS
RLIYSEFKQRYSILAPNAIPDGKTVSEKILAGLQMDPAEYRLGTTKVFFK
AGVLGNLEEMRDERLSKIISMFQAHIRGYLIRKAYKKLQDQRIGLSVIQR
NIRKWLVLRNWQWWKLYSKVKP
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 chain1dfl Chain A Residue 1999 [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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PDB1dfl Three conformational states of scallop myosin S1.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		G181 K182 T183 E184
Binding residue
(residue number reindexed from 1)		G170 K171 T172 E173
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S178 G179 T183 N237 S240 S241 G463 E465
Catalytic site (residue number reindexed from 1) S167 G168 T172 N207 S210 S211 G426 E428
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
GO:0051015 actin filament binding
Cellular Component
GO:0016459 myosin complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1dfl, PDBe:1dfl, PDBj:1dfl
PDBsum1dfl
PubMed11016966
UniProtP24733|MYS_ARGIR Myosin heavy chain, striated muscle

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