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 :C2_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 C2_S1
Complex: ANP_B_7(2ONJ) / Model_26(2ONJ/B) = [6.1] Download988.224.47MVEIKNLSLDYGEEHILDDISLSIAEGECVLFTGKSGNGKSSLINSINGLAVRYDNAKTKGEIIIDGKNIKNLELYQISMLVSTVFQNPKTYFFNVNTTLELLFYLENIGLAREEMDRRLKDMLKIFPIKNLLNRNIFNLSGGEKQILCIAASYIAGTKIIVMDEPSSNLDIKSISVLAKMLKILKEKGISIIVAEHRIYYLMDIVDRVFLIDKGKLKKTYTRSEFLKLDKNELNALSLRDKELSKLKVPYLKEGGEYQIKNLSYKFTDDECLSLKDISFKLGKIYGIIGSNGRGKSTLLRCLIGLEKKSKEEIYFKGEKLSKKERLKNSSLVMQDVNHQLFTDEVFNELRLGVKNFDEEKAKIILKDLGLDEFIERHPMSLSGGQKQRLAIASVMCKNSPFIFFDEPSSGMDYSNMIKISELINKYKTMDKIIFIVSHDIEFLNEVADEIFEL
Complex: ADP_A_5(2HYD) / Model_29(2HYD/A) = [4.3] Download876.226.29MVEIKNLSLDYGEEHILDDISLSIAEGECVLFTGKSGNGKSSLINSINGLAVRYDNAKTKGEIIIDGKNIKNLELYQISMLVSTVFQNPKTYFFNVNTTLELLFYLENIGLAREEMDRRLKDMLKIFPIKNLLNRNIFNLSGGEKQILCIAASYIAGTKIIVMDEPSSNLDIKSISVLAKMLKILKEKGISIIVAEHRIYYLMDIVDRVFLIDKGKLKKTYTRSEFLKLDKNELNALSLRDKELSKLKVPYLKEGGEYQIKNLSYKFTDDECLSLKDISFKLGKIYGIIGSNGRGKSTLLRCLIGLEKKSKEEIYFKGEKLSKKERLKNSSLVMQDVNHQLFTDEVFNELRLGVKNFDEEKAKIILKDLGLDEFIERHPMSLSGGQKQRLAIASVMCKNSPFIFFDEPSSGMDYSNMIKISELINKYKTMDKIIFIVSHDIEFLNEVADEIFEL
Consensus
[pKd Mean = 5.20]		-932
(s=56)		5
(s=0)		MVEIKNLSLDYGEEHILDDISLSIAEGECVLFTGKSGNGKSSLINSINGLAVRYDNAKTKGEIIIDGKNIKNLELYQISMLVSTVFQNPKTYFFNVNTTLELLFYLENIGLAREEMDRRLKDMLKIFPIKNLLNRNIFNLSGGEKQILCIAASYIAGTKIIVMDEPSSNLDIKSISVLAKMLKILKEKGISIIVAEHRIYYLMDIVDRVFLIDKGKLKKTYTRSEFLKLDKNELNALSLRDKELSKLKVPYLKEGGEYQIKNLSYKFTDDECLSLKDISFKLGKIYGIIGSNGRGKSTLLRCLIGLEKKSKEEIYFKGEKLSKKERLKNSSLVMQDVNHQLFTDEVFNELRLGVKNFDEEKAKIILKDLGLDEFIERHPMSLSGGQKQRLAIASVMCKNSPFIFFDEPSSGMDYSNMIKISELINKYKTMDKIIFIVSHDIEFLNEVADEIFEL



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]
LEU9CD21022[O], 6[C], 2[N],
ASP10CG121[C],
ASP10OD1421[C], 3[N],
TYR11CE144212[O], 2[P], 10[N], 20[C],
TYR11CG35210[N], 20[C], 5[O],
TYR11CZ4422[P], 10[N], 20[C], 12[O],
TYR11CE23828[O], 10[N], 20[C],
TYR11CD23324[O], 10[N], 19[C],
TYR11CD140210[O], 20[C], 10[N],
GLU13OE2722[C], 3[N], 2[O],
GLU13OE11822[O], 9[C], 7[N],
GLU13CD1022[O], 5[C], 3[N],
GLU13CG1022[O], 5[C], 3[N],
ILE16CG13822[P], 7[N], 19[C], 10[O],
ILE16CG24224[P], 17[C], 6[N], 15[O],
ILE16CD145214[O], 9[N], 20[C], 2[P],
LEU17CD2926[O], 2[P], 1[C],
LEU17CG826[O], 1[C], 1[P],
LEU17CD1323[O],
PHE32CG121[O],
PHE32CD2121[O],
SER36OG23215[O], 1[N], 2[C], 5[P],
ASN38CG20213[O], 5[P], 1[N], 1[C],
ASN38OD11321[C], 4[P], 8[O],
ASN38ND214210[O], 4[P],
LYS40CG20214[O], 1[N], 5[P],
LYS40CE23216[O], 1[N], 1[C], 5[P],
LYS40CD2025[P], 1[N], 14[O],
LYS40NZ2225[P], 1[N], 1[C], 15[O],
SER41OG29217[O], 5[P], 2[N], 5[C],
SER42OG4729[N], 19[C], 4[P], 15[O],
ILE44CG1121[O],
ILE44CD1222[O],
ILE44CG2121[O],
ASN45ND21226[O], 2[P], 2[C], 2[N],
ASN45CG222[O],
TYR54CZ20210[N], 10[C],
TYR54CG724[C], 3[N],
TYR54CE11829[N], 9[C],
TYR54CD21125[N], 6[C],
TYR54CE21528[C], 7[N],
TYR54CD11426[N], 8[C],
GLN87CG821[P], 1[N], 6[O],
GLN87CD1323[P], 1[N], 9[O],
GLN87NE21128[O], 1[N], 2[P],
GLN87OE11521[N], 4[P], 10[O],
ASP164OD11724[P], 1[N], 12[O],
ASP164CG15211[O], 3[P], 1[N],
ASP164OD21721[N], 5[P], 11[O],
GLU165OE214210[O], 1[N], 3[P],
GLU165CD1228[O], 3[P], 1[N],
GLU165CG1127[O], 3[P], 1[N],
GLU165OE1821[N], 2[P], 5[O],
SER168OG121[O],
VAL194CG116212[O], 1[N], 3[P],
VAL194CG21127[O], 1[N], 3[P],
HIS197CD21221[N], 3[P], 8[O],
HIS197CG1027[O], 2[P], 1[N],
HIS197CE11523[P], 1[N], 11[O],
HIS197NE21621[N], 3[P], 12[O],
HIS197ND11223[P], 1[N], 8[O],
ILE212CD1322[O], 1[P],
ILE212CG1121[O],
ILE212CG21023[P], 7[O],
Total = 64



Download csv file of statistical distribution of contacts