Structure of PDB 1b7t Chain A Binding Site BS02

Receptor Information
>1b7t Chain A (length=766) Species: 31199 (Argopecten irradians) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSDPDFQYLAVDAFDGKKNCWVPDEKEGFASAEIQSSKGDEITVKIVADS
STRTVKKDDIQSMNPPKFEKLEDMANMTYLNEASVLYNLRSRYTSGLIYT
YSGLFCIAVNPYRRLPIYTDSVIAKYRGKRKTEIPPHLFSVADNAYQNMV
TDRENQSCLITGESGAGKTENTKKVIMYLAKVACAEGSLEDQIIQANPVL
EAYGNAKTTRNNNSSRFGKFIRIHFGPTGKIAGADIETYLLEKSRVTYQQ
SAERNYHIFYQICSNAIPELNDVMLVTPDSGLYSFINQGCLTVDNIDDVE
EFKLCDEAFDILGFTKEEKQSMFKCTASILHMGEMKFKQAESDGTAEAEK
VAFLCGINAGDLLKALLKPKVTKGQNMNQVVNSVGALAKSLYDRMFNWLV
RRVNKTLDTKAKRNYYIGVLDIAGFEIFDFNSFEQLCINYTNERLQQFFN
HHMFILEQEEYKKEGIAWEFIDFGMDLQMCIDLIEKPMGILSILEEECMF
PKADDKSFQDKLYQNHMGKNRMFTKPGKPTRPNQGPAHFELHHYAGNVPY
SITGWLEKNKDPINENVVALLGASKEPLVAELFKAQTISAVHRESLNKLM
KNLYSTHPHFVRCIIPNELKQPGLVDAELVLHQLQCNGRKGFPSRLIYSE
FKQRYSILAPNAIPDGKTVSEKILAGLQMDPAEYRLGTTKVFFKAGVLGN
LEEMRDERLSKIISMFQAHIRGYLIRKAYKKLQDQRIGLSVIQRNIRKWL
VLRNWQWWKLYSKVKP
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 chain1b7t Chain A Residue 999 [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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PDB1b7t Atomic structure of scallop myosin subfragment S1 complexed with MgADP: a novel conformation of the myosin head.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N124 P125 R127 G179 G181 K182 T183 E184 N237
Binding residue
(residue number reindexed from 1)		N110 P111 R113 G165 G167 K168 T169 E170 N211
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) S164 G165 T169 N211 S214 S215 G424 E426
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:1b7t, PDBe:1b7t, PDBj:1b7t
PDBsum1b7t
PubMed10338210
UniProtP24733|MYS_ARGIR Myosin heavy chain, striated muscle

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