Structure of PDB 1mne Chain A Binding Site BS02

Receptor Information
>1mne Chain A (length=742) 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
RNQGVLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNNAGFISG
ASIQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFN
YLNQSGCVDIKGVSDEDEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLG
NIKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLV
AQHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCSERAAYFIGVLDI
SGFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKVEQEEYLKEKINLDSQA
TIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEPR
FSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKLF
NDPNIASRAFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQLPAKL
EDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYLLAPNVPRDAE
DSQKATDAVLKHLNIDPEQYRFGITKIFFRAGQLARIEEARE
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain1mne 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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PDB1mne X-ray structure of the magnesium(II)-pyrophosphate complex of the truncated head of Dictyostelium discoideum myosin to 2.7 A resolution.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S181 G182 A183 G184 K185 T186 N233 S236 S237
Binding residue
(residue number reindexed from 1)		S180 G181 A182 G183 K184 T185 N228 S231 S232
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 N228 S231 S232 G452 E454
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:1mne, PDBe:1mne, PDBj:1mne
PDBsum1mne
PubMed7619796
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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