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 :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: GNP_A_12(2J7P) / Model_36(2J7P/A) = [9.4] Download1060.785.48MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK
Complex: GCP_B_6(1RJ9) / Model_7(1RJ9/B) = [9.4] Download1122.736.96MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK
Complex: GDP_B_6(5L3V) / Model_46(5L3V/B) = [8.5] Download868.944.10MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK
Complex: CIT_B_4(1VMA) / Model_66(1VMA/B) = [3.9] Download598.9313.00MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK
Complex: OXY_A_3(1LS1) / Model_18(1LS1/A) = [3.1] Download198.188.00MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK
Consensus
[pKd Mean = 6.86]
-769
(s=339)
7
(s=3)
MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK



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]
LEU108CG351[C], 2[O],
LEU108CD1151[O],
GLN109OE12354[P], 4[C], 15[O],
GLN109CD2653[P], 17[O], 1[N], 5[C],
GLN109CG3155[P], 19[O], 1[N], 6[C],
GLN109NE222515[O], 3[C], 4[P],
LYS113CG45529[O], 1[N], 7[C], 8[P],
LYS113CD3957[P], 24[O], 1[N], 7[C],
LYS113CE4257[C], 1[N], 26[O], 8[P],
LYS113NZ41527[O], 1[N], 5[C], 8[P],
THR114CG244527[O], 1[N], 8[C], 8[P],
THR114OG151532[O], 1[N], 10[C], 8[P],
THR115CG28353[P], 13[N], 31[O], 36[C],
THR115OG19356[P], 37[O], 13[N], 37[C],
THR116OG154518[C], 8[N], 22[O], 6[P],
THR116CG2953[C], 3[O], 3[N],
LYS119CD2953[O], 11[N], 15[C],
LYS119NZ44521[C], 8[O], 15[N],
LYS119CE4458[O], 15[N], 21[C],
LYS119CG16510[C], 3[N], 3[O],
ASP138OD23055[C], 1[N], 19[O], 5[P],
ASP138OD12152[C], 15[O], 4[P],
ASP138CG2351[N], 14[O], 3[C], 5[P],
ARG141CZ60516[C], 35[O], 1[N], 8[P],
ARG141NE4958[P], 1[N], 31[O], 9[C],
ARG141CG2856[P], 1[N], 19[O], 2[C],
ARG141CD4355[C], 29[O], 1[N], 8[P],
PRO142CD252[O],
GLN147OE161534[O], 1[N], 18[C], 8[P],
GLN147NE275538[O], 4[N], 25[C], 8[P],
GLN147CD6258[P], 34[O], 1[N], 19[C],
GLN147CG37511[C], 21[O], 5[P],
LEU148CD1353[O],
VAL151CG2454[O],
ASP190OD13757[P], 1[N], 23[O], 6[C],
ASP190OD23956[C], 1[N], 24[O], 8[P],
ASP190CG3157[P], 3[C], 1[N], 20[O],
THR191OG1353[O],
ARG194CD252[O],
ARG194CG252[O],
ARG194NE252[O],
ARG194CZ252[O],
LEU195CG353[O],
LEU195CD2353[O],
LEU195CD1353[O],
HIS196NE2252[O],
HIS196CD2252[O],
HIS196CG252[O],
HIS196CE1252[O],
HIS196ND1252[O],
ASP198CG151[O],
ASP198OD1151[O],
ASP198OD2151[O],
MET201SD252[O],
VAL220CG13455[P], 8[C], 3[N], 18[O],
VAL220CG21152[P], 7[O], 2[C],
ASP222OD126514[C], 5[O], 7[N],
ASP222OD22155[O], 3[N], 13[C],
ASP222CG19511[C], 5[N], 3[O],
MET224SD451[O], 2[N], 1[C],
ILE246CG2553[O], 2[N],
THR248OG156525[C], 14[N], 17[O],
THR248CG249519[C], 18[O], 12[N],
LYS249CD64530[C], 15[N], 19[O],
LYS249CE8055[P], 33[C], 27[O], 15[N],
LYS249NZ8756[P], 34[C], 31[O], 16[N],
LYS249CG61530[C], 15[N], 16[O],
THR250CG2953[C], 3[O], 3[N],
THR250OG11658[C], 3[O], 5[N],
ASP251OD135517[C], 3[O], 15[N],
ASP251CG3053[O], 15[N], 12[C],
ASP251OD232514[C], 3[O], 15[N],
ASP253OD2351[C], 2[N],
MET275CG953[C], 3[O], 3[N],
MET275CE252[O],
MET275SD953[O], 3[N], 3[C],
GLU277OE241519[C], 13[N], 9[O],
GLU277OE139518[C], 9[O], 12[N],
GLU277CG53525[C], 15[N], 13[O],
GLU277CD45513[N], 9[O], 23[C],
LEU282CD1551[C], 1[N], 3[O],
LEU282CG151[O],
Total = 82



Download csv file of statistical distribution of contacts