Structure of PDB 1w9i Chain A Binding Site BS02

Receptor Information
>1w9i Chain A (length=702) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPIHDRTSDYHKYLKVKQGDKRYIWYNPDPKERDSYECGEIVSETSDSFT
FKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPAVFHNLRVRYN
QDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEVAPHIFAISDV
AYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAGRGVLEQQILQ
ANPILEAFGNAKTTRNNNSSRFGKFIEIQFNSAGFISGASIQSYLLEKSR
VVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNYLNQSGCVDIKG
VSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGNIKFEKGAGEGA
VLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVAQHLNVEKSSSS
RDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLDIYGFEIFKVNSFE
QLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINWTFIDFGLDSQATIDLI
DGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEPRFSKTE
FGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKLFNDPNI
ASRAKKGANFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQLPAKL
EDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADQFRFGITKIFFRAGQLA
RI
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 chain1w9i Chain A Residue 1756 [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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PDB1w9i Structure-Function Analysis of Myosin II Backdoor Mutants
Resolution1.75 Å
Binding residue
(original residue number in PDB)		N127 P128 G182 G184 K185 T186 E187 N233
Binding residue
(residue number reindexed from 1)		N116 P117 G171 G173 K174 T175 E176 N216
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S181 G182 T186 N233 S236 S237 G457 E459
Catalytic site (residue number reindexed from 1) S170 G171 T175 N216 S219 S220 G440 E442
Enzyme Commision number 3.6.4.1: Transferred entry: 5.6.1.8.
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:1w9i, PDBe:1w9i, PDBj:1w9i
PDBsum1w9i
PubMed
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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