Structure of PDB 1jwy Chain A Binding Site BS03
Receptor Information
>1jwy Chain A (length=1039) Species:
44689
(Dictyostelium discoideum) [
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DPIHDRTSDYHKYLKVKQFKLTVSDKRYIWYNPDPKERDSYECGEIVSET
SDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPAVFHNL
RVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEVAPHIF
AISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAGSGVLE
QQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNSAGFISGASIQSYL
LEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNYLNQSGC
VDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGNIKFEKG
AGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVAQHLNVE
KSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLDISGFEIFK
VNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINWTFIDFGLDSQA
TIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEPR
FSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKLF
NDPNIASRAKKGANFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQ
LPAKLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYLLAPNV
PRDAEDSQKATDAVLKHLNIDPEQYRFGITKIFFRAGQLARIEEAREQRI
SEITRGLVDQLIPVINKLQDVFNTLGSDPLDLPQIVVVGSQSSGKSSVLE
NIVGRDFLPRPLILQLTHLPIADDGSQTQEWGEFLHKPNDMFYDFSEIRE
EIIRDTDISAQPINLKIYSPHVVNLTLVDLPGITDIEQQIRRMVMAYIKK
QNAIIVAVTPANTDLANSDALQLAKEVDPEGKRTIGVITKLDLMDKGTDA
MEVLTGRVIPLTLGFIGVINRSQEDIIAKKSIRESLKSEILYFKNHPIYK
SIANRSGTAYLSKTLNKLLMFHIRDTLPDLKVKVSKMLS
Ligand information
Ligand ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
1jwy Chain A Residue 1203 [
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Receptor-Ligand Complex Structure
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PDB
1jwy
Crystal structure of a dynamin GTPase domain in both nucleotide-free and GDP-bound forms.
Resolution
2.3 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 score
3
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:1jwy
,
PDBe:1jwy
,
PDBj:1jwy
PDBsum
1jwy
PubMed
11689422
UniProt
P08799
|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA);
Q94464
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