Structure of PDB 1mmd Chain A Binding Site BS02

Receptor Information
>1mmd Chain A (length=743) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPDERDSYECGE
IVSETSDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPA
VFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEV
APHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAG
RNQAGVLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNNAGFIS
GASIQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESF
NYLNQSGCVDIKGVSDEDEFKITRQAMDIVGFSQEEQMSIFKIIAGILHL
GNIKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDL
VAQHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCSERAAYFIGVLD
ISGFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKVEQEEYLKEKINLDSQ
ATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEP
RFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKL
FNDPNIASRAFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQLPAK
LEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYLLAPNVPRDA
EDSQKATDAVLKHLNIDPEQYRFGITKIFFRAGQLARIEEARE
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 chain1mmd 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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PDB1mmd X-ray structures of the myosin motor domain of Dictyostelium discoideum complexed with MgADP.BeFx and MgADP.AlF4-.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N127 P128 R131 S181 G182 G184 K185 T186 E187 N233
Binding residue
(residue number reindexed from 1)		N126 P127 R130 S180 G181 G183 K184 T185 E186 N229
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) S180 G181 T185 N229 S232 S233 G453 E455
Enzyme Commision number 3.6.1.32: 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:1mmd, PDBe:1mmd, PDBj:1mmd
PDBsum1mmd
PubMed7619795
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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