Structure of PDB 1l2o Chain A Binding Site BS03

Receptor Information
>1l2o Chain A (length=777) Species: 31199 (Argopecten irradians) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSDPDFQYLAVDRKKLMKAFDGKKNCWVPDEKEGFASAEIQSSKGDEITV
KIVADSSTRTVKKDDIQSMNPPKFEKLEDMANMTYLNEASVLYNLRSRYT
SGLIYTYSGLFCIAVNPYRRLPIYTDSVIAKYRGKRKTEIPPHLFSVADN
AYQNMVTDRENQSCLITGESGAGKTENTKKVIMYLAKVACAVKEGSLEDQ
IIQANPVLEAYGNAKTTRNNNSSRFGKFIRIHFGPTGKIAGADIETYLLE
KSRVTYQQSAERNYHIFYQICSNAIPELNDVMLVTPDSGLYSFINQGCLT
VDNIDDVEEFKLCDEAFDILGFTKEEKQSMFKCTASILHMGEMKFQAESD
GTAEAEKVAFLCGINAGDLLKALLKPKVTEMVTKGQNMNQVVNSVGALAK
SLYDRMFNWLVRRVNKTLDTKAKRNYYIGVLDIAGFEIFDFNSFEQLCIN
YTNERLQQFFNHHMFILEQEEYKKEGIAWEFIDFGMDLQMCIDLIEKPMG
ILSILEEECMFPKADDKSFQDKLYQNHMGKNRMFTKPGKRPNQGPAHFEL
HHYAGNVPYSITGWLEKNKDPINENVVALLGASKEPLVAELFKAFQTISA
VHRESLNKLMKNLYSTHPHFVRCIIPNELKQPGLVDAELVLHQLQCNGVL
RKGFPSRLIYSEFKQRYSILAPNAIDGKTVSEKILAGLQMDPAEYRLGTT
KVFFKAGVLGNLEEMRDERLSKIISMFQAHIRGYLIRKAYKKLQDQRIGL
SVIQRNIRKWLVLRNWQWWKLYSKVKP
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 chain1l2o 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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PDB1l2o Crystallographic findings on the internally uncoupled and near-rigor states of myosin: further insights into the mechanics of the motor.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N124 P125 Y126 R127 G179 G181 K182 T183 E184 N237
Binding residue
(residue number reindexed from 1)		N116 P117 Y118 R119 G171 G173 K174 T175 E176 N219
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) S170 G171 T175 N219 S222 S223 G435 E437
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:1l2o, PDBe:1l2o, PDBj:1l2o
PDBsum1l2o
PubMed12297624
UniProtP24733|MYS_ARGIR Myosin heavy chain, striated muscle

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