Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ANP_A_4(4CZJ) / Model_6(4CZJ/A) = [8.6] Download1261.5014.11MILKRLIGLFSPDLAIDLGTANTLIYAPGRGIILNEPTVVAIRHSGSQKIVAAVGLDAKQMLGRTPANISAIRPMKDGVIADFEVTETMLNQFIGKVHEKRLFPPAPRVVVCVPCKSTLVERRAIREAVFNASARDVRLIEEPMAAAIGAGMPVEQACGSMVVDVGGGTTEIAIISLQGCVYADSLRIGGDVFDEQIINYVRKAHGCVIGETTAEIIKKEVGMAVSDGTTLEIEVRGRNLAEGVPRAITVTSDEITQAISDPLQSIVSAVKSALEQTPPELSSDIAERGIVLTGGGALLRNLDKLLAQETGLPVVVAEDPLTCVTRGGGKVLEFFDDPNHDMLFVG
Complex: ADP_A_3(4CZF) / Model_2(4CZF/A) = [7.6] Download969.4311.48MILKRLIGLFSPDLAIDLGTANTLIYAPGRGIILNEPTVVAIRHSGSQKIVAAVGLDAKQMLGRTPANISAIRPMKDGVIADFEVTETMLNQFIGKVHEKRLFPPAPRVVVCVPCKSTLVERRAIREAVFNASARDVRLIEEPMAAAIGAGMPVEQACGSMVVDVGGGTTEIAIISLQGCVYADSLRIGGDVFDEQIINYVRKAHGCVIGETTAEIIKKEVGMAVSDGTTLEIEVRGRNLAEGVPRAITVTSDEITQAISDPLQSIVSAVKSALEQTPPELSSDIAERGIVLTGGGALLRNLDKLLAQETGLPVVVAEDPLTCVTRGGGKVLEFFDDPNHDMLFVG
Consensus
[pKd Mean = 8.10]		-1115
(s=146)		12
(s=1)		MILKRLIGLFSPDLAIDLGTANTLIYAPGRGIILNEPTVVAIRHSGSQKIVAAVGLDAKQMLGRTPANISAIRPMKDGVIADFEVTETMLNQFIGKVHEKRLFPPAPRVVVCVPCKSTLVERRAIREAVFNASARDVRLIEEPMAAAIGAGMPVEQACGSMVVDVGGGTTEIAIISLQGCVYADSLRIGGDVFDEQIINYVRKAHGCVIGETTAEIIKKEVGMAVSDGTTLEIEVRGRNLAEGVPRAITVTSDEITQAISDPLQSIVSAVKSALEQTPPELSSDIAERGIVLTGGGALLRNLDKLLAQETGLPVVVAEDPLTCVTRGGGKVLEFFDDPNHDMLFVG



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
ASP17OD12025[P], 14[O], 1[N],
ASP17CB927[O], 2[P],
ASP17CG1921[N], 5[P], 13[O],
ASP17CA424[O],
ASP17O1022[P], 7[O], 1[N],
ASP17C822[P], 6[O],
ASP17OD22121[N], 5[P], 15[O],
LEU18C1421[N], 10[O], 3[P],
LEU18CG121[O],
LEU18CB222[O],
LEU18CA1121[N], 3[P], 7[O],
LEU18O1323[P], 9[O], 1[N],
LEU18N926[O], 3[P],
GLY19O1821[N], 12[O], 5[P],
GLY19N2021[N], 5[P], 14[O],
GLY19CA23216[O], 5[P], 1[C], 1[N],
GLY19C2325[P], 16[O], 1[C], 1[N],
THR20CG215210[O], 4[P], 1[N],
THR20C2726[C], 1[N], 15[O], 5[P],
THR20O1924[P], 11[O], 1[N], 3[C],
THR20OG13125[P], 19[O], 1[N], 6[C],
THR20CB2624[C], 1[N], 5[P], 16[O],
THR20CA2222[C], 1[N], 14[O], 5[P],
THR20N2421[N], 2[C], 16[O], 5[P],
ALA21N3227[C], 1[N], 5[P], 19[O],
ALA21C3128[C], 1[N], 5[P], 17[O],
ALA21O23211[O], 4[P], 1[N], 7[C],
ALA21CA3625[P], 21[O], 1[N], 9[C],
ALA21CB41222[O], 5[P], 11[C], 3[N],
ASN22ND240219[O], 4[P], 5[N], 12[C],
ASN22CB2626[C], 1[N], 15[O], 4[P],
ASN22N3121[N], 7[C], 18[O], 5[P],
ASN22C2222[C], 1[N], 14[O], 5[P],
ASN22CA2425[P], 14[O], 4[C], 1[N],
ASN22CG3521[N], 12[C], 4[P], 18[O],
ASN22O23215[O], 5[P], 2[C], 1[N],
ASN22OD12829[C], 4[P], 15[O],
THR23CA822[P], 6[O],
THR23N1421[N], 4[P], 9[O],
THR23CB222[O],
THR23OG1423[O], 1[P],
THR23O222[O],
THR23C626[O],
LEU24N626[O],
LEU24CD114210[O], 4[P],
LEU24CG525[O],
LEU24CD2222[O],
ASN35CG222[O],
ASN35OD1222[O],
ASN35ND2121[O],
GLU36O424[O],
PRO37CA222[O],
PRO37C222[O],
THR38CA222[O],
THR38OG11321[N], 10[O], 2[P],
THR38CG2721[P], 6[O],
THR38N222[O],
THR38CB825[O], 2[P], 1[N],
LYS59CE321[O], 2[C],
LYS59NZ1023[O], 7[C],
ARG73NE523[O], 1[P], 1[C],
ARG73CZ1126[O], 1[P], 4[C],
MET75O821[N], 2[P], 5[O],
MET75CE321[P], 1[O], 1[N],
MET75SD121[O],
MET75CA121[O],
MET75CB721[P], 5[O], 1[N],
MET75C423[O], 1[N],
MET75CG322[O], 1[N],
LYS76C423[O], 1[P],
LYS76CA323[O],
LYS76O524[O], 1[P],
LYS76N222[O],
ASP77OD1121[O],
ASP77C621[N], 4[O], 1[P],
ASP77O423[O], 1[P],
ASP77CB121[O],
ASP77CA421[N], 1[P], 2[O],
ASP77N421[P], 2[O], 1[N],
GLY78CA922[P], 6[O], 1[N],
GLY78O621[N], 4[O], 1[P],
GLY78N721[N], 2[P], 4[O],
GLY78C521[N], 1[P], 3[O],
VAL79N521[N], 1[P], 3[O],
VAL79CB121[O],
VAL79CA322[O], 1[P],
VAL79O121[O],
VAL79CG1121[O],
VAL79C121[O],
CYS112SG624[O], 2[P],
CYS112CB222[O],
CYS112O121[O],
VAL113C222[O],
VAL113CA121[O],
PRO114CG521[P], 4[O],
PRO114CA421[P], 3[O],
PRO114CD421[P], 3[O],
PRO114CB423[O], 1[P],
PRO114N321[P], 2[O],
GLU142OE117212[O], 4[P], 1[N],
GLU142CD1521[N], 4[P], 10[O],
GLU142CG1121[N], 3[P], 7[O],
GLU142CB625[O], 1[P],
GLU142CA121[O],
GLU142OE21721[N], 12[O], 4[P],
ASP164C1229[O], 3[P],
ASP164CA323[O],
ASP164CB524[O], 1[P],
ASP164OD21525[P], 10[O],
ASP164O1128[O], 3[P],
ASP164OD12325[P], 16[O], 1[N], 1[C],
ASP164CG1821[N], 12[O], 5[P],
VAL165CA22212[O], 5[P], 1[N], 4[C],
VAL165CG129212[C], 4[N], 2[P], 11[O],
VAL165N1523[P], 12[O],
VAL165O43219[O], 5[P], 5[N], 14[C],
VAL165CB1922[N], 5[C], 2[P], 10[O],
VAL165C3825[P], 20[O], 3[N], 10[C],
GLY166CA38210[C], 3[N], 20[O], 5[P],
GLY166O45222[O], 5[P], 13[C], 5[N],
GLY166N3621[N], 10[C], 20[O], 5[P],
GLY166C43222[O], 5[P], 12[C], 4[N],
GLY167O32216[O], 5[P], 1[N], 10[C],
GLY167CA4025[P], 22[O], 3[N], 10[C],
GLY167N40210[C], 3[N], 22[O], 5[P],
GLY167C38210[C], 1[N], 5[P], 22[O],
GLY168CA1721[N], 2[C], 3[P], 11[O],
GLY168N3121[N], 6[C], 5[P], 19[O],
GLY168O624[O], 1[P], 1[N],
GLY168C1021[N], 3[P], 6[O],
THR169CG2621[N], 1[P], 4[O],
THR169CB724[O], 2[P], 1[N],
THR169C1021[N], 6[O], 3[P],
THR169CA1023[P], 6[O], 1[N],
THR169N14210[O], 3[P], 1[N],
THR169OG11323[P], 9[O], 1[N],
THR169O2022[C], 1[N], 12[O], 5[P],
THR170C222[O],
THR170CB121[O],
THR170N621[P], 4[O], 1[N],
THR170CA322[O], 1[P],
THR170OG1121[O],
THR170O121[O],
GLU171OE1121[O],
GLU171CG423[O], 1[P],
GLU171CB121[O],
GLU171OE2423[O], 1[P],
GLU171CD421[P], 3[O],
GLU171N222[O],
LEU186O121[O],
ILE188C121[O],
ILE188N121[O],
ILE188O121[O],
GLY189C2028[O], 2[N], 10[C],
GLY189N323[O],
GLY189CA1321[P], 5[O], 6[C], 1[N],
GLY189O1526[O], 1[N], 8[C],
GLY190N34212[O], 3[P], 14[C], 5[N],
GLY190CA36218[C], 5[N], 2[P], 11[O],
GLY190O2426[O], 4[N], 14[C],
GLY190C2528[O], 4[N], 13[C],
ASP191CA1224[O], 8[C],
ASP191N19210[C], 1[N], 8[O],
ASP191CB824[C], 4[O],
ASP191CG1621[N], 8[C], 1[P], 6[O],
ASP191C523[O], 2[C],
ASP191O222[O],
ASP191OD123210[C], 1[N], 1[P], 11[O],
ASP191OD21527[O], 2[P], 5[C], 1[N],
VAL192N222[O],
PHE193C222[O],
PHE193CB1624[O], 2[N], 10[C],
PHE193CE2422[N], 2[C],
PHE193CE1622[C], 2[N], 2[O],
PHE193CD2422[N], 2[C],
PHE193N222[O],
PHE193CD11729[C], 2[N], 6[O],
PHE193CG1123[O], 2[N], 6[C],
PHE193CA222[O],
PHE193CZ422[C], 2[N],
ASP194N524[O], 1[C],
ASP194OD220210[C], 4[N], 6[O],
ASP194CG1724[O], 9[C], 4[N],
ASP194CB824[C], 4[O],
ASP194OD12326[O], 12[C], 5[N],
ASP194CA424[O],
GLU211O222[O],
ALA214C222[O],
ALA214O222[O],
GLU215CA1924[O], 11[C], 4[N],
GLU215CG3526[O], 9[N], 20[C],
GLU215OE23728[O], 9[N], 20[C],
GLU215C2422[O], 8[N], 14[C],
GLU215CB2124[O], 5[N], 12[C],
GLU215CD32220[C], 6[N], 6[O],
GLU215N321[C], 2[O],
GLU215OE12526[O], 4[N], 15[C],
GLU215O3024[O], 10[N], 16[C],
ILE216CA121[O],
ILE216N222[O],
ILE216O222[N],
ILE217O422[N], 2[C],
ILE217C422[C], 2[N],
LYS218C24210[N], 12[C], 2[O],
LYS218CE3626[O], 20[C], 10[N],
LYS218CB2924[O], 10[N], 15[C],
LYS218O21210[N], 9[C], 2[O],
LYS218CG32210[N], 16[C], 6[O],
LYS218CD34210[N], 18[C], 6[O],
LYS218N1122[O], 4[N], 5[C],
LYS218CA1822[O], 8[C], 8[N],
LYS218NZ38220[C], 10[N], 8[O],
LYS219CE3626[O], 20[C], 10[N],
LYS219O1728[N], 9[C],
LYS219N26210[N], 14[C], 2[O],
LYS219CA2622[O], 14[C], 10[N],
LYS219C1829[N], 9[C],
LYS219CG34210[N], 18[C], 6[O],
LYS219CB26210[N], 14[C], 2[O],
LYS219CD33210[N], 17[C], 6[O],
LYS219NZ36210[N], 20[C], 6[O],
GLU220C424[N],
GLU220CA624[N], 2[C],
GLU220N1326[N], 7[C],
VAL221N222[N],
GLY222CA723[N], 4[C],
GLY222O1026[N], 4[C],
GLY222N624[C], 2[N],
GLY222C724[C], 3[N],
MET223CA121[C],
MET223N422[C], 2[N],
THR293C624[O], 2[P],
THR293O922[P], 7[O],
THR293OG1222[O],
THR293CA222[O],
THR293CB222[O],
GLY294O3828[N], 18[C], 2[P], 10[O],
GLY294CA3228[C], 3[N], 16[O], 5[P],
GLY294C41214[O], 4[P], 6[N], 17[C],
GLY294N1622[C], 2[P], 12[O],
GLY295CA54220[C], 11[N], 19[O], 4[P],
GLY295C48210[N], 20[C], 4[P], 14[O],
GLY295N54220[O], 5[P], 20[C], 9[N],
GLY295O46210[N], 20[C], 2[P], 14[O],
GLY296O3024[O], 10[N], 16[C],
GLY296C41220[C], 10[N], 2[P], 9[O],
GLY296CA46210[N], 20[C], 14[O], 2[P],
GLY296N4924[P], 15[O], 10[N], 20[C],
ALA297C24210[N], 12[C], 2[O],
ALA297CA24212[C], 10[N], 2[O],
ALA297CB222[O],
ALA297N3426[O], 2[P], 10[N], 16[C],
ALA297O1428[C], 6[N],
LEU298O21211[C], 10[N],
LEU298CD134210[N], 18[C], 6[O],
LEU298C24210[N], 12[C], 2[O],
LEU298CD220210[N], 10[C],
LEU298CA2422[O], 10[N], 12[C],
LEU298N26213[C], 10[N], 3[O],
LEU298CB27210[N], 15[C], 2[O],
LEU298CG26210[N], 13[C], 3[O],
LEU299O1428[C], 6[N],
LEU299CD11628[C], 8[N],
LEU299CG1428[C], 6[N],
LEU299C1426[N], 8[C],
LEU299N2422[O], 10[N], 12[C],
LEU299CA22212[C], 10[N],
LEU299CD21024[N], 6[C],
LEU299CB21210[N], 11[C],
ARG300O422[C], 2[N],
ARG300N1426[N], 8[C],
ARG300CG824[N], 4[C],
ARG300CD622[C], 4[N],
ARG300CZ321[C], 2[N],
ARG300CB824[C], 4[N],
ARG300CA824[N], 4[C],
ARG300C422[C], 2[N],
ARG300NE521[C], 4[N],
LEU302CD2222[C],
PRO320CG622[O], 2[C], 2[N],
PRO320CA222[O],
PRO320C822[P], 6[O],
PRO320O1222[P], 10[O],
PRO320CB222[O],
LEU321C15210[O], 3[P], 2[C],
LEU321CD13629[O], 2[P], 18[C], 7[N],
LEU321O18212[O], 4[P], 2[C],
LEU321CA2426[C], 2[N], 4[P], 12[O],
LEU321N1624[C], 2[N], 2[P], 8[O],
LEU321CB2724[N], 9[C], 12[O], 2[P],
LEU321CD248218[O], 4[P], 8[N], 18[C],
LEU321CG4127[N], 18[C], 13[O], 3[P],
THR322CA424[O],
THR322N722[P], 5[O],
THR322C222[O],
CYS323N222[O],
VAL324CG21126[O], 5[P],
VAL324CG1525[O],
VAL324N323[O],
VAL324CA323[O],
VAL324CB722[P], 5[O],
THR325OG1121[O],
Total = 302



Download csv file of statistical distribution of contacts