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 :C3_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 C3_S1
Complex: 0O2_B_8(4QRH) / Model_38(4QRH/B) = [10.1] Download1358.905.78MSGLLFVVSAASGTGKTSLVKALLDRVSNLHVSVSHTTRGQRPGELDGVHYHFTTKDEFLDQVNQGGFIEYAEVFGNYYGTSQATVKQQLAQGHDVLLEIDWQGAEQVRKLFPESKQIFILPPTQFDLRQRLSNRGTDSVEVIEHRLSCAVEDMQHYVNFDYIIINDDFNKALHELEAVITANRLVLSQQAKRHQNLIQDLITPQPKQE
Complex: G5P_J_10(2F3R) / Model_24(2F3R/B) = [9.2] Download1816.416.12MSGLLFVVSAASGTGKTSLVKALLDRVSNLHVSVSHTTRGQRPGELDGVHYHFTTKDEFLDQVNQGGFIEYAEVFGNYYGTSQATVKQQLAQGHDVLLEIDWQGAEQVRKLFPESKQIFILPPTQFDLRQRLSNRGTDSVEVIEHRLSCAVEDMQHYVNFDYIIINDDFNKALHELEAVITANRLVLSQQAKRHQNLIQDLITPQPKQE
Complex: 5GP_M_13(2ANB) / Model_2(2ANB/A) = [7.1] Download594.892.33MSGLLFVVSAASGTGKTSLVKALLDRVSNLHVSVSHTTRGQRPGELDGVHYHFTTKDEFLDQVNQGGFIEYAEVFGNYYGTSQATVKQQLAQGHDVLLEIDWQGAEQVRKLFPESKQIFILPPTQFDLRQRLSNRGTDSVEVIEHRLSCAVEDMQHYVNFDYIIINDDFNKALHELEAVITANRLVLSQQAKRHQNLIQDLITPQPKQE
Complex: GDP_S_19(2AN9) / Model_25(2AN9/B) = [6.7] Download768.294.27MSGLLFVVSAASGTGKTSLVKALLDRVSNLHVSVSHTTRGQRPGELDGVHYHFTTKDEFLDQVNQGGFIEYAEVFGNYYGTSQATVKQQLAQGHDVLLEIDWQGAEQVRKLFPESKQIFILPPTQFDLRQRLSNRGTDSVEVIEHRLSCAVEDMQHYVNFDYIIINDDFNKALHELEAVITANRLVLSQQAKRHQNLIQDLITPQPKQE
Complex: LGP_G_7(2F3T) / Model_22(2F3T/E) = [3.7] Download1259.8316.25MSGLLFVVSAASGTGKTSLVKALLDRVSNLHVSVSHTTRGQRPGELDGVHYHFTTKDEFLDQVNQGGFIEYAEVFGNYYGTSQATVKQQLAQGHDVLLEIDWQGAEQVRKLFPESKQIFILPPTQFDLRQRLSNRGTDSVEVIEHRLSCAVEDMQHYVNFDYIIINDDFNKALHELEAVITANRLVLSQQAKRHQNLIQDLITPQPKQE
Consensus
[pKd Mean = 7.36]		-1159
(s=436)		6
(s=4)		MSGLLFVVSAASGTGKTSLVKALLDRVSNLHVSVSHTTRGQRPGELDGVHYHFTTKDEFLDQVNQGGFIEYAEVFGNYYGTSQATVKQQLAQGHDVLLEIDWQGAEQVRKLFPESKQIFILPPTQFDLRQRLSNRGTDSVEVIEHRLSCAVEDMQHYVNFDYIIINDDFNKALHELEAVITANRLVLSQQAKRHQNLIQDLITPQPKQE



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]
VAL8O3658[N], 19[C], 9[O],
VAL8C1156[O], 5[C],
VAL8CG1252[O],
VAL8CA353[O],
VAL8CB353[O],
VAL8N353[O],
SER9CA20511[O], 9[C],
SER9OG3658[N], 16[C], 1[P], 11[O],
SER9CB1757[O], 9[C], 1[N],
SER9O656[O],
SER9C17511[O], 6[C],
SER9N1054[C], 6[O],
ALA10N2359[C], 2[P], 12[O],
ALA10CB2055[C], 2[P], 13[O],
ALA10O50528[O], 5[P], 17[C],
ALA10C32511[C], 4[P], 17[O],
ALA10CA22512[O], 7[C], 3[P],
ALA11CA2756[C], 4[P], 17[O],
ALA11CB656[O],
ALA11N2553[P], 6[C], 16[O],
ALA11C4055[P], 11[C], 24[O],
ALA11O38526[O], 7[C], 5[P],
SER12CA60516[C], 8[P], 36[O],
SER12N51513[C], 7[P], 31[O],
SER12OG6659[P], 17[C], 40[O],
SER12O26519[O], 4[P], 3[C],
SER12C44528[O], 9[C], 7[P],
SER12CB60536[O], 9[P], 15[C],
GLY13N50531[O], 10[P], 9[C],
GLY13CA4057[P], 6[C], 1[N], 26[O],
GLY13C33523[O], 5[P], 5[C],
GLY13O2655[P], 5[C], 16[O],
THR14C22514[O], 3[C], 5[P],
THR14CB14511[O], 3[P],
THR14CA2153[C], 5[P], 13[O],
THR14CG21158[O], 3[P],
THR14N29520[O], 5[P], 4[C],
THR14O1653[P], 2[C], 11[O],
THR14OG12055[P], 15[O],
GLY15C2855[P], 3[C], 20[O],
GLY15CA28518[O], 5[C], 5[P],
GLY15N3155[P], 5[C], 21[O],
GLY15O18512[O], 3[P], 3[C],
LYS16CD58527[O], 6[P], 4[N], 21[C],
LYS16NZ95549[O], 28[C], 8[N], 10[P],
LYS16O20515[O], 2[C], 3[P],
LYS16CG46528[O], 11[C], 7[P],
LYS16N36524[O], 5[C], 7[P],
LYS16CB48529[O], 11[C], 1[N], 7[P],
LYS16CA32522[O], 3[C], 7[P],
LYS16C3357[P], 3[C], 23[O],
LYS16CE86527[C], 7[N], 10[P], 42[O],
THR17CA4656[C], 9[P], 31[O],
THR17OG192522[C], 4[N], 13[P], 53[O],
THR17N4758[P], 7[C], 32[O],
THR17CB64540[O], 13[P], 11[C],
THR17CG25356[C], 12[P], 35[O],
THR17O20515[O], 4[P], 1[C],
THR17C2751[C], 7[P], 19[O],
SER18CA1553[P], 2[C], 10[O],
SER18OG22514[O], 3[P], 5[C],
SER18O551[P], 4[O],
SER18C1057[O], 1[C], 2[P],
SER18CB1653[P], 3[C], 10[O],
SER18N27518[O], 3[C], 6[P],
LEU19CD2151[O],
LEU19N1253[P], 1[C], 8[O],
LEU19CA554[O], 1[P],
LEU19CB554[O], 1[P],
LEU19C151[O],
LEU19CG252[O],
LEU19CD1252[O],
VAL20CG2353[O],
VAL20CB151[O],
VAL20N454[O],
LYS21CD351[P], 2[O],
LYS21CG251[O], 1[P],
LYS21CE554[O], 1[P],
LYS21N151[O],
LYS21CB151[O],
LYS21NZ755[O], 2[P],
SER33CA151[O],
SER33C855[O], 3[N],
SER33O2155[O], 12[C], 4[N],
SER33OG1755[N], 7[C], 5[O],
SER33CB555[O],
VAL34C1955[O], 5[N], 9[C],
VAL34CA954[N], 5[O],
VAL34O1455[O], 4[N], 5[C],
VAL34N555[O],
SER35N36519[C], 12[N], 5[O],
SER35CB63525[N], 30[C], 8[O],
SER35CA4655[O], 16[N], 25[C],
SER35OG72513[O], 25[N], 34[C],
SER35C34519[C], 10[N], 5[O],
SER35O2455[O], 5[N], 14[C],
HIS36N3555[O], 20[C], 10[N],
HIS36C35511[N], 19[C], 5[O],
HIS36O56525[N], 25[C], 6[O],
HIS36CB1055[O], 5[C],
HIS36ND1151[O],
HIS36CA2555[O], 10[N], 10[C],
HIS36CD2353[O],
HIS36CG454[O],
THR37N2255[O], 12[C], 5[N],
THR37OG168524[O], 29[C], 10[N], 5[P],
THR37CB60523[O], 4[P], 11[N], 22[C],
THR37CG23454[P], 6[N], 10[C], 14[O],
THR37CA2555[O], 15[C], 5[N],
ARG39O151[O],
ARG39NE7157[N], 18[C], 9[P], 37[O],
ARG39CB21515[O], 1[C], 5[P],
ARG39CD53532[O], 9[P], 12[C],
ARG39N353[O],
ARG39C454[O],
ARG39CG34524[O], 5[C], 5[P],
ARG39CZ54533[O], 9[P], 12[C],
ARG39CA555[O],
GLY40N252[O],
GLY40O951[P], 8[O],
ARG42CZ55537[O], 7[C], 11[P],
ARG42N252[O],
ARG42CD37527[O], 10[P],
ARG42CG23518[O], 5[P],
ARG42NE49534[O], 5[C], 10[P],
ARG42CB454[O],
GLU45OE11855[P], 13[O],
GLU45CG555[O],
GLU45OE232525[O], 7[P],
GLU45CD21515[O], 6[P],
HIS50CD2252[O],
HIS50CB555[O],
HIS50C454[O],
HIS50CG151[O],
HIS50O1455[O], 5[N], 4[C],
TYR51CG52517[C], 9[N], 5[P], 21[O],
TYR51CD254526[O], 13[C], 9[N], 6[P],
TYR51CD17355[P], 28[C], 15[N], 25[O],
TYR51CB1355[O], 5[N], 3[C],
TYR51CA252[N],
TYR51CE291535[O], 8[P], 10[N], 38[C],
TYR51CE1112536[O], 49[C], 20[N], 7[P],
TYR51CZ113542[O], 19[N], 44[C], 8[P],
PHE53CE2555[O],
PHE53CZ353[O],
PHE53CE1252[O],
PHE59CZ1755[O], 7[C], 5[N],
PHE59CE21354[N], 4[C], 5[O],
PHE68CZ353[O],
PHE68CG454[O],
PHE68CD11254[C], 4[N], 4[O],
PHE68CE1851[N], 3[C], 4[O],
ILE69CG2452[N], 2[O],
GLU70CD5455[O], 25[N], 24[C],
GLU70OE25955[O], 29[C], 25[N],
GLU70C3555[O], 15[C], 15[N],
GLU70OE15955[O], 29[C], 25[N],
GLU70CB3055[O], 10[C], 15[N],
GLU70O40520[C], 15[N], 5[O],
GLU70CG4055[O], 15[N], 20[C],
GLU70N2354[O], 10[N], 9[C],
GLU70CA25510[N], 10[C], 5[O],
TYR71CG12510[N], 2[C],
TYR71CD2151[N],
TYR71O2953[O], 11[C], 15[N],
TYR71CB28513[N], 10[C], 5[O],
TYR71CA40515[N], 20[C], 5[O],
TYR71C40520[C], 15[N], 5[O],
TYR71N33513[C], 15[N], 5[O],
TYR71CD1454[N],
ALA72N44521[C], 18[N], 5[O],
ALA72C42521[C], 18[N], 3[O],
ALA72O60510[O], 23[N], 27[C],
ALA72CA41521[C], 16[N], 4[O],
ALA72CB52525[C], 20[N], 7[O],
GLU73N22514[N], 8[C],
GLU73CA15510[N], 5[C],
GLU73O1755[C], 8[N], 4[O],
GLU73C2855[O], 11[N], 12[C],
VAL74CG110557[P], 44[C], 20[N], 34[O],
VAL74C43515[O], 6[N], 21[C], 1[P],
VAL74CA63532[C], 14[N], 17[O],
VAL74N4756[O], 23[C], 18[N],
VAL74O48517[O], 6[N], 21[C], 4[P],
VAL74CB10455[P], 47[C], 24[N], 28[O],
VAL74CG2105528[O], 49[C], 25[N], 3[P],
PHE75CA1055[C], 5[O],
PHE75CE144525[O], 12[C], 1[N], 6[P],
PHE75CE224514[O], 2[P], 1[N], 7[C],
PHE75C452[C], 2[O],
PHE75CD221512[O], 2[P], 7[C],
PHE75N21511[C], 10[O],
PHE75CD13751[N], 10[C], 5[P], 21[O],
PHE75CB2659[C], 2[P], 15[O],
PHE75O653[O], 3[C],
PHE75CG2252[P], 7[C], 13[O],
PHE75CZ3754[P], 1[N], 11[C], 21[O],
ASN77CB857[O], 1[C],
ASN77CG353[O],
ASN77ND2151[O],
ASN77OD1353[O],
ASN77C353[O],
ASN77O1355[O], 5[N], 3[C],
TYR78O55510[O], 20[N], 25[C],
TYR78CA1759[C], 8[N],
TYR78C63528[C], 25[N], 10[O],
TYR79N65530[C], 25[N], 10[O],
TYR79CE2130547[O], 9[P], 49[C], 25[N],
TYR79CG116549[C], 25[N], 5[P], 37[O],
TYR79CD111555[P], 49[C], 25[N], 36[O],
TYR79CA70534[C], 25[N], 11[O],
TYR79CE1119540[O], 5[P], 49[C], 25[N],
TYR79CB105528[O], 49[C], 25[N], 3[P],
TYR79CZ128521[N], 49[C], 10[P], 48[O],
TYR79O64530[C], 25[N], 9[O],
TYR79CD2120549[C], 25[N], 5[P], 41[O],
TYR79C65530[C], 25[N], 10[O],
GLY80CA55525[C], 25[N], 5[O],
GLY80C53524[C], 24[N], 5[O],
GLY80N6156[O], 25[N], 30[C],
GLY80O5455[O], 24[N], 25[C],
THR81O1455[O], 5[N], 4[C],
THR81N4655[O], 20[N], 21[C],
THR81CB42518[N], 19[C], 5[O],
THR81CA40519[C], 16[N], 5[O],
THR81C1555[O], 5[C], 5[N],
THR81OG153524[N], 24[C], 5[O],
THR81CG22155[N], 11[C], 5[O],
SER82N1152[N], 4[C], 5[O],
SER82CA151[O],
LEU98O34511[N], 17[C], 6[O],
LEU98C4559[O], 22[C], 14[N],
LEU98CD21958[C], 6[N], 5[O],
LEU98CB2358[N], 11[C], 4[O],
LEU98CA2058[N], 8[C], 4[O],
LEU98CG1657[C], 4[N], 5[O],
LEU98CD11055[O], 3[N], 2[C],
GLU99OE240512[C], 3[N], 5[P], 20[O],
GLU99CB7951[P], 15[N], 36[C], 27[O],
GLU99C93522[O], 25[N], 45[C], 1[P],
GLU99O104525[N], 47[C], 4[P], 28[O],
GLU99CA73537[C], 18[N], 18[O],
GLU99OE176530[O], 10[N], 27[C], 9[P],
GLU99CD52522[O], 18[C], 7[N], 5[P],
GLU99N56517[N], 30[C], 9[O],
GLU99CG5153[P], 10[N], 24[C], 14[O],
ILE100CB83517[O], 25[N], 41[C],
ILE100C9452[P], 44[C], 24[N], 24[O],
ILE100CD15959[O], 28[C], 22[N],
ILE100O82521[O], 2[P], 38[C], 21[N],
ILE100N92523[O], 25[N], 43[C], 1[P],
ILE100CA9751[P], 25[N], 47[C], 24[O],
ILE100CG169512[O], 34[C], 23[N],
ILE100CG278525[N], 38[C], 15[O],
ASP101CB92522[O], 2[P], 44[C], 24[N],
ASP101CG88520[O], 23[N], 43[C], 2[P],
ASP101O66519[N], 33[C], 14[O],
ASP101OD189541[C], 23[N], 2[P], 23[O],
ASP101CA8952[P], 23[N], 42[C], 22[O],
ASP101OD27352[P], 18[N], 35[C], 18[O],
ASP101C69514[O], 1[P], 17[N], 37[C],
ASP101N96524[N], 46[C], 2[P], 24[O],
TRP102N52516[N], 22[C], 1[P], 13[O],
TRP102CB252[O],
TRP102C1358[N], 4[C], 1[O],
TRP102CD1656[O],
TRP102NE1252[O],
TRP102O554[N], 1[C],
TRP102CG151[O],
TRP102CA1954[C], 8[N], 7[O],
GLN103O1454[C], 10[N],
GLN103NE21358[N], 5[C],
GLN103OE1454[N],
GLN103CA1654[C], 12[N],
GLN103N17510[N], 6[C], 1[O],
GLN103CD1053[C], 7[N],
GLN103CB17512[N], 5[C],
GLN103C1956[C], 13[N],
GLN103CG1057[N], 3[C],
GLY104N4154[O], 20[C], 17[N],
GLY104CA38517[C], 17[N], 4[O],
GLY104O2057[C], 13[N],
GLY104C3152[O], 14[N], 15[C],
ALA105CA1454[C], 10[N],
ALA105N2451[O], 10[C], 13[N],
ALA105CB753[C], 4[N],
ALA105C353[N],
GLU106N353[N],
GLN107CD1158[N], 3[C],
GLN107CB454[N],
GLN107N151[N],
GLN107OE11053[C], 7[N],
GLN107NE21655[C], 11[N],
GLN107CG454[N],
VAL108CG21053[C], 7[N],
PHE119CE1151[O],
ILE120CB252[O],
ILE120CD1151[O],
ILE120C151[O],
ILE120CG2353[O],
ILE120O151[O],
ILE120CG1151[O],
ASP127O151[O],
LEU128C151[O],
LEU128O352[O], 1[C],
LEU128CD1252[O],
ARG129O352[O], 1[N],
GLN130CG452[C], 2[N],
GLN130NE2352[N], 1[C],
GLN130N151[N],
GLN130OE1251[C], 1[N],
GLN130CD352[N], 1[C],
GLN130C1453[N], 8[C], 3[O],
GLN130O1659[C], 4[N], 3[O],
GLN130CB251[C], 1[N],
GLN130CA251[C], 1[N],
ARG131NE751[N], 3[C], 3[O],
ARG131C2056[O], 4[N], 10[C],
ARG131N1353[O], 3[N], 7[C],
ARG131O2458[O], 4[N], 10[C], 2[P],
ARG131CD1456[O], 6[C], 2[N],
ARG131CZ251[C], 1[O],
ARG131CB1856[O], 9[C], 3[N],
ARG131CG1556[O], 7[C], 2[N],
ARG131CA1955[O], 4[N], 10[C],
LEU132CA1352[N], 6[C], 5[O],
LEU132CG654[O], 2[C],
LEU132O1558[C], 3[N], 4[O],
LEU132CD21056[O], 2[C], 2[P],
LEU132CD1252[O],
LEU132CB553[C], 2[O],
LEU132C1353[O], 8[C], 2[N],
LEU132N1452[N], 8[C], 4[O],
SER133CB753[N], 3[C], 1[O],
SER133CA1257[C], 3[N], 2[O],
SER133C1655[N], 8[C], 3[O],
SER133OG1056[C], 3[N], 1[O],
SER133N1357[C], 3[N], 3[O],
SER133O1351[O], 5[N], 7[C],
ASN134N1759[C], 5[N], 3[O],
ASN134ND219510[C], 5[N], 4[O],
ASN134CA18510[C], 5[N], 3[O],
ASN134O1658[C], 5[N], 3[O],
ASN134CG2055[O], 5[N], 10[C],
ASN134OD12055[O], 5[N], 10[C],
ASN134CB1954[O], 10[C], 5[N],
ASN134C1755[N], 9[C], 3[O],
ARG135NE151[O],
ARG135CZ351[P], 2[O],
THR137OG1151[O],
ASP138CB151[O],
ASP138OD2451[P], 3[O],
ASP138CG451[P], 3[O],
ASP138OD1654[O], 1[C], 1[P],
VAL142CG1252[O],
ARG146CB151[C],
ARG146CZ1351[P], 5[C], 7[O],
ARG146CG651[P], 2[C], 3[O],
ARG146CD1151[P], 3[C], 7[O],
ARG146NE1257[O], 1[P], 4[C],
CYS149O151[O],
ASP153CG1255[O], 7[C],
ASP153OD11055[C], 5[O],
ASP153CA252[O],
ASP153CB454[O],
ASP153OD222512[C], 10[O],
ASN166CG151[O],
ASN166ND2555[O],
PHE169CZ151[O],
PHE169CD1151[O],
PHE169CE1352[O], 1[P],
Total = 371



Download csv file of statistical distribution of contacts