Binding Site Information :
Doc...
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_A_5(1B63) / Model_7(1B63/A) = [10.0] Download975.5717.74MAKIQELSERLANQIAAGEVVERPASVVKELVENAIDAGSTQIDILVEEAGLRTIQVIDNGEGILADDVENAFKRHATSKIHNRDDLFRIRTLGFRGEALPSIASVSEMTLETANQEEKQGTYLSLKGGEVIEHRPAPLRQGTKITVSNLFFNTPARLKYVKTLHTELANIGDIVNRLALSHPSIAFRLVHDGNKMLATAGNGDLKQTIAGIYGLSTAKKMLKIEGKDLDFELFGYVSLPEVTRASRNYLSTIINGRFIKNFSLNKAIVAGYGSKLMVGRFPIAVLEIKMDPLLVDVNVHPTKQEVRLSKEKELTELISNAIQKALSQENLIPSAADNLRFKKKVPDQPKTEQIEIDLSYAFEEEKPKKPSSLNFDRETGTFFVEELKNTFVDRIVDKSVENVENYSGFSEENTTYPEKTAKTVDKFGENVDNFVEKTVEKSEKKEFPIVDNMEKTNEEQADKSVEEDEKIYEEELTLHPEFDFTQGNDKTLEQAIKKLETEKPVQRFPQLEYFGQMHGTYLFAQSSDGLYIIDQHAAQERIKYEYFREKIGEVSDDLQELLVPFVLDYPNSDALKLKEQKHLLEDAGIYLEEFGQNSFIVRAHPTWYPNGEEESIIREMIDMLLTTGSVSVKKFREATAIMMSCKRSIKANHYLNEAQARVLLKDLARCENPFNCPHGRPVLIHFTNSDMERMFKRIQDPH
Complex: ADP_A_3(1B62) / Model_5(1B62/A) = [7.5] Download939.7310.83MAKIQELSERLANQIAAGEVVERPASVVKELVENAIDAGSTQIDILVEEAGLRTIQVIDNGEGILADDVENAFKRHATSKIHNRDDLFRIRTLGFRGEALPSIASVSEMTLETANQEEKQGTYLSLKGGEVIEHRPAPLRQGTKITVSNLFFNTPARLKYVKTLHTELANIGDIVNRLALSHPSIAFRLVHDGNKMLATAGNGDLKQTIAGIYGLSTAKKMLKIEGKDLDFELFGYVSLPEVTRASRNYLSTIINGRFIKNFSLNKAIVAGYGSKLMVGRFPIAVLEIKMDPLLVDVNVHPTKQEVRLSKEKELTELISNAIQKALSQENLIPSAADNLRFKKKVPDQPKTEQIEIDLSYAFEEEKPKKPSSLNFDRETGTFFVEELKNTFVDRIVDKSVENVENYSGFSEENTTYPEKTAKTVDKFGENVDNFVEKTVEKSEKKEFPIVDNMEKTNEEQADKSVEEDEKIYEEELTLHPEFDFTQGNDKTLEQAIKKLETEKPVQRFPQLEYFGQMHGTYLFAQSSDGLYIIDQHAAQERIKYEYFREKIGEVSDDLQELLVPFVLDYPNSDALKLKEQKHLLEDAGIYLEEFGQNSFIVRAHPTWYPNGEEESIIREMIDMLLTTGSVSVKKFREATAIMMSCKRSIKANHYLNEAQARVLLKDLARCENPFNCPHGRPVLIHFTNSDMERMFKRIQDPH
Consensus
[pKd Mean = 8.75]		-957
(s=17)		14
(s=3)		MAKIQELSERLANQIAAGEVVERPASVVKELVENAIDAGSTQIDILVEEAGLRTIQVIDNGEGILADDVENAFKRHATSKIHNRDDLFRIRTLGFRGEALPSIASVSEMTLETANQEEKQGTYLSLKGGEVIEHRPAPLRQGTKITVSNLFFNTPARLKYVKTLHTELANIGDIVNRLALSHPSIAFRLVHDGNKMLATAGNGDLKQTIAGIYGLSTAKKMLKIEGKDLDFELFGYVSLPEVTRASRNYLSTIINGRFIKNFSLNKAIVAGYGSKLMVGRFPIAVLEIKMDPLLVDVNVHPTKQEVRLSKEKELTELISNAIQKALSQENLIPSAADNLRFKKKVPDQPKTEQIEIDLSYAFEEEKPKKPSSLNFDRETGTFFVEELKNTFVDRIVDKSVENVENYSGFSEENTTYPEKTAKTVDKFGENVDNFVEKTVEKSEKKEFPIVDNMEKTNEEQADKSVEEDEKIYEEELTLHPEFDFTQGNDKTLEQAIKKLETEKPVQRFPQLEYFGQMHGTYLFAQSSDGLYIIDQHAAQERIKYEYFREKIGEVSDDLQELLVPFVLDYPNSDALKLKEQKHLLEDAGIYLEEFGQNSFIVRAHPTWYPNGEEESIIREMIDMLLTTGSVSVKKFREATAIMMSCKRSIKANHYLNEAQARVLLKDLARCENPFNCPHGRPVLIHFTNSDMERMFKRIQDPH



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]
VAL20CG1121[O],
VAL20CG2524[O], 1[P],
LYS29CE121[O],
LYS29CD121[O],
LYS29NZ322[O], 1[P],
GLU30OE2821[N], 1[P], 6[O],
GLU30CG1023[P], 7[O],
GLU30OE119213[O], 5[P], 1[N],
GLU30CD1825[P], 1[N], 12[O],
LEU31CG624[N], 2[O],
LEU31CD1222[N],
LEU31CD21624[N], 2[P], 4[C], 6[O],
GLU33CD121[O],
GLU33CG121[O],
GLU33OE1524[O], 1[P],
ASN34ND258211[N], 5[P], 20[C], 22[O],
ASN34CG58211[N], 5[P], 22[O], 20[C],
ASN34OD15825[P], 11[N], 20[C], 22[O],
ASP37OD1222[O],
ASP37OD238214[C], 14[O], 5[P], 5[N],
ASP37CG1927[C], 9[O], 1[N], 2[P],
SER40OG323[N],
VAL57CG1222[N],
ASP59OD220210[N], 10[C],
ASP59CG1628[C], 8[N],
ASP59OD11628[C], 8[N],
GLU62CG523[N], 2[C],
GLU62OE1624[N], 2[C],
GLU62CD321[N], 2[C],
ILE64CG138210[N], 20[C], 8[O],
ILE64CD138220[C], 8[O], 10[N],
ILE64CG23024[O], 18[C], 8[N],
ASP68CG222[O],
ASP68OD2222[O],
ASP68OD1121[O],
PHE73CD1121[O],
PHE73CD2222[O],
PHE73CG323[O],
THR78OG140222[O], 10[C], 3[N], 5[P],
THR78CG22925[P], 1[N], 8[C], 15[O],
SER79OG3925[N], 2[P], 18[C], 14[O],
LYS80CD49222[O], 15[C], 7[N], 5[P],
LYS80NZ5825[P], 11[N], 22[O], 20[C],
LYS80CG4024[N], 5[P], 19[O], 12[C],
LYS80CE5625[P], 9[N], 20[C], 22[O],
ILE81CD1524[O], 1[N],
ILE81CG1421[N], 3[O],
ILE81CG2222[O],
ILE90CD1121[O],
THR92OG11128[O], 1[N], 2[P],
THR92CG2222[O],
PHE95CE1624[O], 1[N], 1[P],
PHE95CG1323[P], 1[N], 9[O],
PHE95CD21221[N], 3[P], 8[O],
PHE95CD11121[N], 3[P], 7[O],
PHE95CZ621[P], 1[N], 4[O],
PHE95CE2722[P], 1[N], 4[O],
ARG96CG1421[N], 3[P], 10[O],
ARG96NE624[O], 1[P], 1[N],
ARG96CZ621[N], 1[P], 4[O],
ARG96CD925[O], 1[N], 3[P],
GLU98CD625[O], 1[P],
GLU98OE2222[O],
GLU98OE1524[O], 1[P],
GLU98CG1425[P], 1[N], 8[O],
LEU100CD238216[C], 13[O], 3[P], 6[N],
LEU100CD15124[P], 10[N], 17[O], 20[C],
LEU100CG4825[P], 7[N], 18[C], 18[O],
PRO101CD2621[N], 5[P], 16[O], 4[C],
PRO101CG1529[O], 4[C], 2[P],
SER102OG323[O],
ILE103CG1424[O],
ILE103CD1624[O], 2[P],
MET109CE721[P], 1[N], 1[C], 4[O],
MET109SD222[O],
LEU111CG23210[N], 11[C], 2[O],
LEU111CD227214[C], 4[O], 9[N],
LEU111CD124212[C], 2[O], 10[N],
THR113CG21426[N], 8[C],
THR113OG118210[N], 8[C],
ASN115OD1321[C], 2[N],
ASN115CG121[C],
THR143OG122212[C], 10[N],
THR143CG222212[C], 10[N],
ILE145CG2521[C], 4[N],
ILE145CD128212[C], 6[O], 10[N],
ILE145CG11728[N], 9[C],
ARG257CZ121[O],
LYS303NZ1329[O], 1[N], 3[P],
LYS303CG322[O], 1[P],
LYS303CE822[P], 1[N], 5[O],
LYS303CD523[O], 1[N], 1[P],
Total = 92



Download csv file of statistical distribution of contacts