Structure of PDB 1jx2 Chain A Binding Site BS03

Receptor Information
>1jx2 Chain A (length=1039) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPIHDRTSDYHKYLKVKQFKLTVSDKRYIWYNPDPKERDSYECGEIVSET
SDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPAVFHNL
RVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEVAPHIF
AISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAGSGVLE
QQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNSAGFISGASIQSYL
LEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNYLNQSGC
VDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGNIKFEKG
AGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVAQHLNVE
KSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLDISGFEIFK
VNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINWTFIDFGLDSQA
TIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEPR
FSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKLF
NDPNIASRAKKGANFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQ
LPAKLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYLLAPNV
PRDAEDSQKATDAVLKHLNIDPEQYRFGITKIFFRAGQLARIEEAREQRI
SEITRGLVDQLIPVINKLQDVFNTLGSDPLDLPQIVVVGSQSSGKSSVLE
NIVGRDFLPRPLILQLTHLPIADDGSQTQEWGEFLHKPNDMFYDFSEIRE
EIIRDTDISAQPINLKIYSPHVVNLTLVDLPGITDIEQQIRRMVMAYIKK
QNAIIVAVTPANTDLANSDALQLAKEVDPEGKRTIGVITKLDLMDKGTDA
MEVLTGRVIPLTLGFIGVINRSQEDIIAKKSIRESLKSEILYFKNHPIYK
SIANRSGTAYLSKTLNKLLMFHIRDTLPDLKVKVSKMLS
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 chain1jx2 Chain A Residue 1203 [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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PDB1jx2 Crystal structure of a dynamin GTPase domain in both nucleotide-free and GDP-bound forms.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N138 P139 G193 G195 K196 T197 E198 N244
Binding residue
(residue number reindexed from 1)		N121 P122 G176 G178 K179 T180 E181 N221
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) S192 G193 T197 N244 S247 S248 G468 E470
Catalytic site (residue number reindexed from 1) S175 G176 T180 N221 S224 S225 G445 E447
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0003924 GTPase activity
GO:0005524 ATP binding
GO:0005525 GTP 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:1jx2, PDBe:1jx2, PDBj:1jx2
PDBsum1jx2
PubMed11689422
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA);
Q94464

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