Structure of PDB 1d1c Chain A Binding Site BS02

Receptor Information
>1d1c Chain A (length=744) 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
RNQAGVLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNNAGFIS
GASIQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESF
NYLNQSGCVDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHL
GNIKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDL
VAQHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLD
ISGFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINLDSQ
ATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEP
RFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKL
FNDPNIASRANFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQLPA
KLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYLLAPNVPRD
AEDSQKATDAVLKHLNIDPEQYRFGITKIFFRAGQLARIEEARE
Ligand information
Ligand IDNMQ
InChIInChI=1S/C9H14N2O9P2.Be.3FH/c1-10(8-4-2-3-5-9(8)11(12)13)6-7-19-22(17,18)20-21(14,15)16;;;;/h2-5H,6-7H2,1H3,(H,17,18)(H2,14,15,16);;3*1H/q;+3;;;/p-4
InChIKeyLIFJVXDWLUOXQS-UHFFFAOYSA-J
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[Be-](OP(=O)(O)OP(=O)(O)OCCN(C)c1ccccc1[N+](=O)[O-])(F)(F)F
CACTVS 3.341CN(CCO[P](O)(=O)O[P](O)(=O)O[Be-](F)(F)F)c1ccccc1[N+]([O-])=O
CACTVS 3.341CN(CCO[P@](O)(=O)O[P@@](O)(=O)O[Be-](F)(F)F)c1ccccc1[N+]([O-])=O
OpenEye OEToolkits 1.5.0[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCC[N@@](C)c1ccccc1[N+](=O)[O-])(F)(F)F
FormulaC9 H13 Be F3 N2 O9 P2
NameN-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
ChEMBL
DrugBankDB08276
ZINC
PDB chain1d1c 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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PDB1d1c X-ray structures of the Dictyostelium discoideum myosin motor domain with six non-nucleotide analogs.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N127 F129 K130 S181 G182 G184 K185 T186 E187 N233 S236 S237
Binding residue
(residue number reindexed from 1)		N126 F128 K129 S180 G181 G183 K184 T185 E186 N229 S232 S233
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 N229 S232 S233 G453 E455
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

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Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1d1c, PDBe:1d1c, PDBj:1d1c
PDBsum1d1c
PubMed10617631
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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