Structure of PDB 1d0y Chain A Binding Site BS02

Receptor Information
>1d0y Chain A (length=741) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPKERDSYECGE
IVSETSDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPA
VFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEV
APHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAG
RNGVLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNNAGFISGA
SIQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNY
LNQSGCVDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGN
IKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVA
QHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLDIS
GFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINLDSQAT
IDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEPRF
SKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKLFN
DPNIASRAFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQLPAKLE
DKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYLLAPNVPRDAED
SQKATDAVLKHLNIDPEQYRFGITKIFFRAGQLARIEEARE
Ligand information
Ligand IDONP
InChIInChI=1S/C8H12N2O9P2.Be.3FH/c11-10(12)8-4-2-1-3-7(8)9-5-6-18-21(16,17)19-20(13,14)15;;;;/h1-4,9H,5-6H2,(H,16,17)(H2,13,14,15);;3*1H/q;+3;;;/p-4
InChIKeyREAYVLUAJKGPLT-UHFFFAOYSA-J
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F
CACTVS 3.341O[P](=O)(OCCNc1ccccc1[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(F)F
CACTVS 3.341O[P@](=O)(OCCNc1ccccc1[N+]([O-])=O)O[P@@](O)(=O)O[Be-](F)(F)F
OpenEye OEToolkits 1.5.0[Be-](OP(=O)(O)OP(=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F
FormulaC8 H11 Be F3 N2 O9 P2
NameO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
ChEMBL
DrugBank
ZINC
PDB chain1d0y 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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PDB1d0y X-ray structures of the Dictyostelium discoideum myosin motor domain with six non-nucleotide analogs.
Resolution2.0 Å
Binding residue
(original residue number in PDB)
N127 P128 F129 K130 R131 S181 G182 A183 G184 K185 T186 E187 N233 S236 S237
Binding residue
(residue number reindexed from 1)
N126 P127 F128 K129 R130 S180 G181 A182 G183 K184 T185 E186 N227 S230 S231
Annotation score1
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 N227 S230 S231 G451 E453
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:1d0y, PDBe:1d0y, PDBj:1d0y
PDBsum1d0y
PubMed10617631
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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