Structure of PDB 6z2s Chain A Binding Site BS01

Receptor Information
>6z2s Chain A (length=748) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPKERDSYECGEIVSE
TSDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPAVFHN
LRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEVAPHI
FAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAGRNGV
LEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNSAGFISGASIQS
YLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNYLNQS
GCVDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGNIKFE
KGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVAQHLN
VEKSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLDISGFEI
FKVNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINWTFIDFGLDS
QATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEE
PRFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTK
LFNDPNIASRAKKGANFITVAAQYKEQLASLMATLETTNPHFVRCIIPNN
KQLPAKLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKYYLLAPN
VPRDAEDSQKATDAVLKHLNIDPEQYRFGITKIFFRAGQLARIEEARE
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 chain6z2s Chain A Residue 801 [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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PDB6z2s The synthetic carbazole adhibin acts as selective myosin class-IX inhibitor in lung cancer cells
Resolution3.2 Å
Binding residue
(original residue number in PDB)		T186 S237
Binding residue
(residue number reindexed from 1)		T181 S227
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) S176 G177 T181 N223 S226 S227 G447 E449
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:6z2s, PDBe:6z2s, PDBj:6z2s
PDBsum6z2s
PubMed
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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