Structure of PDB 1g8x Chain A Binding Site BS02

Receptor Information
>1g8x Chain A (length=1009) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPDERDSYECGE
IVSETSDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPA
VFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEV
APHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAG
RNQANGSGVLEQQILQANPILEAFGNAKTTRNNNSSEFGKFIEIQFNNAG
FISGASIQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGP
ESFNYLNQSGCVDIKGVSDEDEFKITRQAMDIVGFSQEEQMSIFKIIAGI
LHLGNIKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAG
RDLVAQHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCSERKAYFIG
VLDISGFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKVEQEEYLKEKINW
TFIDFGLDSQATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHF
SKKNAKYEEPRFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFK
DSSDNVVTKLFNDPNIASRAKKGANFITVAAQYKEQLASLMATLETTNPH
FVRCIIPNNKQLPAKLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADF
VKRYYLLAPNVPRDAEDSQKATDAVLKHLNIDPEQYRFGITKIFFRAGQL
ARIEEAREQRLGSEQTKSDYLKRANELVQWINDKQASLESRDFGDSIESV
QSFMNAHKEYKKTEKPPKGQEVSELEAIYNSLQTKLRLIKREPFVAPAGL
TPNEIDSTWSALEKAEQEHAEALRIELKRQKKIAVLLQKYNRILKKLENW
ATTKSVYLGSNETGDSITAVQAKLKNLEAFDGECQSLEGQSNSDLLSILA
QLTELNYNGVPELTERKDTFFAQQWTGVKSSAETYKNTLLAELERLQKIE
DLHHHHHHH
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/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)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(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)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain1g8x Chain A Residue 1100 [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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PDB1g8x Structure of a genetically engineered molecular motor.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N127 P128 K130 R131 G182 G184 K185 T186 E187 N233
Binding residue
(residue number reindexed from 1)		N126 P127 K129 R130 G181 G183 K184 T185 E186 N232
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) S180 G181 T185 N232 S235 S236 G456 E458
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:1g8x, PDBe:1g8x, PDBj:1g8x
PDBsum1g8x
PubMed11226153
UniProtP05095;
P08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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