Structure of PDB 6z7t Chain A Binding Site BS01

Receptor Information
>6z7t Chain A (length=726) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVSDKRYIWYNPDPKERDSYECGEIVSETSDSFTFKTVDGQDRQVKKDDA
NQRNPIKFDGVEDMSELSYLNEPAVFHNLRVRYNQDLIYTYSGLFLVAVN
PFKRIPIYTQEMVDIFKGRRRNEVAPHIFAISDVAYRSMLDDRQNQSLLI
TGESGAGKTENTKKVIQYLASVAGRSGVLEQQILQANPILEAFGNAKTTR
NNNSSRFGKFIEIQFNSAGFISGASIQSYLLEKSRVVFQSETERNYHIFY
QLLAGATAEEKKALHLAGPESFNYLNQSGCVDIKGVSDSEEFKITRQAMD
IVGFSQEEQMSIFKIIAGILHLGNIKFEKGAGEGAVLKDKTALNAASTVF
GVNPSVLEKALMEPRILAGRDLVAQHLNVEKSSSSRDALVKALYGRLFLW
LVKKINNVLCQERKAYFIGVLDISGFEIFKVNSFEQLCINYTNEKLQQFF
NHHMFKLEQEEYLKEKINWTFIDFGLDSQATIDLIDGRQPPGILALLDEQ
SVFPNATDNTLITKLHSHFSKKNAKYEEPRFSKTEFGVTHYAGQVMYEIQ
DWLEKNKDPLQQDLELCFKDSSDNVVTKLFNDPFITVAAQYKEQLASLMA
TLETTNPHFVRCIIPNNKQLPAKLEDKVVLDQLRCNGVLEGIRITRKGFP
NRIIYADFVKRYYLLAPNVPRDAEDSQKATDAVLKHLNIDPEQYRFGITK
IFFRAGQLARIEEAREQRLESNEPPM
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6z7t Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6z7t Structural and Computational Insights into a Blebbistatin-Bound Myosin•ADP Complex with Characteristics of an ADP-Release Conformation along the Two-Step Myosin Power Stoke.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		A125 V126 N127 A183 C655 I656
Binding residue
(residue number reindexed from 1)		A98 V99 N100 A156 C612 I613
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) S154 G155 T159 N201 S204 S205 G425 E427
Enzyme Commision number ?
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:6z7t, PDBe:6z7t, PDBj:6z7t
PDBsum6z7t
PubMed33049993
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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