Structure of PDB 7b1a Chain A Binding Site BS02

Receptor Information
>7b1a Chain A (length=728) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPKERDSYECG
EIVSETSDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEP
AVFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNE
VAPHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVA
GRNSGVLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNSAGFIS
GASIQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESF
NYLNQSGCVDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHL
GNIKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDL
VAQHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLD
ISGFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINWTFI
DFGLDSQATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKK
NAKYEEPRFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSS
DNVVTKLFNDPNIASRAKKGANFITVAAQYKEQLASLMATLEAANPHFVR
CIIPNNKQLPAKLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVPR
DASQKATDAVLKHLEQYRFGITKIFFRA
Ligand information
Ligand IDAD9
InChIInChI=1S/C10H15N5O10P2.2H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);2*1H2;;/q;;;;+3/p-3/t4-,6-,7-,10-;;;;/m1..../s1
InChIKeyXLVFTLJPBLXCED-KWIZKVQNSA-K
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[V](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O[V](=O)(O)O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N
ACDLabs 10.04O=[V](O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)O[V](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P2 V
NameADP METAVANADATE
ChEMBL
DrugBank
ZINC
PDB chain7b1a Chain A Residue 806 [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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PDB7b1a Unraveling a Force-Generating Allosteric Pathway of Actomyosin Communication Associated with ADP and P i Release.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		N127 P128 F129 K130 S181 G182 G184 K185 T186 E187 N233 S236 S237 S456 G457
Binding residue
(residue number reindexed from 1)		N127 P128 F129 K130 S181 G182 G184 K185 T186 E187 N229 S232 S233 S452 G453
Annotation score1
Enzymatic activity
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:7b1a, PDBe:7b1a, PDBj:7b1a
PDBsum7b1a
PubMed33374308
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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