Structure of PDB 1mmn Chain A Binding Site BS02

Receptor Information
>1mmn Chain A (length=737) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPKERDSYECGE
IVSETSDSFTFKTSDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPA
VFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEV
APHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAG
GVLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNNAGFISGASI
QSYLLEKSRVVFQSTTERNYHIFYQLLAGATAEEKKALHLAGPESFNYLN
QSGCVDIKGVSDEEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGNIK
FEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVAQH
LNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCSERKAYFIGVLDISGF
EIFKVNSFEQLCINYTNEKLQQFFNHHMFKVEQEEYLKEKIDSQATIDLI
DGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEPRFSKTE
FGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKLFNDPNI
ASRAFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQLPAKLEDKVV
LDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYDLAPNVPRDAEDSQKA
TDAVLKHLNIDPEQFRFGITKIFFRAGQLARIEEARE
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain1mmn 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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PDB1mmn X-ray structures of the MgADP, MgATPgammaS, and MgAMPPNP complexes of the Dictyostelium discoideum myosin motor domain.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N127 P128 R131 S181 G182 G184 K185 T186 E187 N233 S236 S237
Binding residue
(residue number reindexed from 1)		N126 P127 R130 S180 G181 G183 K184 T185 E186 N225 S228 S229
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 N225 S228 S229 G449 E451
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:1mmn, PDBe:1mmn, PDBj:1mmn
PDBsum1mmn
PubMed9305951
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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