Structure of PDB 3mnq Chain A Binding Site BS03

Receptor Information
>3mnq Chain A (length=735) Species: 352472 (Dictyostelium discoideum AX4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPKERDSYECG
EIVSETSDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEP
AVFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNE
VAPHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVA
GRNQANGSGVLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNSA
GFISGASIQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAG
PESFNYLNQSGCVDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAG
ILHLGNIKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILA
GRDLVAQHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFI
GVLDISGFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKIN
WTFIDFGLDSQATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSH
FSKKNAKYEEPRFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCF
KDSSDNVVTKLFNDPNIASRAKKGANFITVAAQYKEQLASLMATLETTNP
HFVRCIIPNNKQLPAKLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYAD
FVKRYRDAEDSQKATDADPEQYRFGITKIFFRAGQ
Ligand information
Ligand IDSTL
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
InChIKeyLUKBXSAWLPMMSZ-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=Cc2cc(cc(c2)O)O)O
CACTVS 3.341Oc1ccc(cc1)C=Cc2cc(O)cc(O)c2
ACDLabs 10.04Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2
CACTVS 3.341Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
FormulaC14 H12 O3
NameRESVERATROL
ChEMBLCHEMBL165
DrugBankDB02709
ZINCZINC000000006787
PDB chain3mnq Chain A Residue 902 [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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PDB3mnq Structural basis of resveratrol regulation of myosin activity.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		K229 T231 T274 K661 Q662
Binding residue
(residue number reindexed from 1)		K229 T231 T274 K661 Q662
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) S181 G182 T186 N233 S236 S237 G457 E459
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:3mnq, PDBe:3mnq, PDBj:3mnq
PDBsum3mnq
PubMed
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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