Structure of PDB 1mnd Chain A Binding Site BS03

Receptor Information
>1mnd Chain A (length=641) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPIHDRTSDYHKYLKVKQTVSDKRYIWYNPDPDERDSYECGEIVSETSDS
FTFKTVQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPAVFHNLRVRYN
QDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEVAPHIFAISDV
AYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAGVLEQQILQAN
PILEAFGNAKTTRNNNSSRFGKFIEIQFNNAGFISGASIQSYLLEKSRVV
FQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNYLNQSGCVDIKGVS
DEDEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGNIKFEKGAGEGAVL
KDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVAQHLNVEKSSSSRD
ALVKALYGRLFLWLVKKINNVLCSRAAYFIGVLDISGFEIFKVNSFEQLC
INYTNEKLQQFFNHHMDSQATIDLIDGRQPPGILALLDEQSVFPNATDNT
LITKLHSHFSKKNAKYEEPRFSKTEFGVTHYAGQVMYEIQDWLEKNKDPL
QQDLELCFKDSSDNVVTKLFNDPNIASRFITVAAQYKEQLASLMATLETT
NPHFVRCIIPNNKQLPAKLEDKVVLDQLRCNGVLEIRITRK
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 chain1mnd Chain A Residue 998 [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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PDB1mnd X-ray structures of the myosin motor domain of Dictyostelium discoideum complexed with MgADP.BeFx and MgADP.AlF4-.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		N127 P128 F129 G182 G184 K185 T186 N233
Binding residue
(residue number reindexed from 1)		N116 P117 F118 G171 G173 K174 T175 N214
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 N214 S217 S218 G437 E439
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:1mnd, PDBe:1mnd, PDBj:1mnd
PDBsum1mnd
PubMed7619795
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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