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 :C6_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 C6_S1
Complex: LAD_B_2(1E1T) / Model_8(1E1T/A) = [8.1] Download805.57-1.12MSTEHMEELNDQQIVRREKMAALREQGIDPFGKRFERTANSQELKDKYANLDKEQLHDKNETATIAGRLVTKRGKGKVGFAHLQDREGQIQIYVRKDAVGEENYEIFKKADLGDFLGVEGEVMRTDMGELSIKATHITHLSKALRPLPEKFHGLTDVETIYRKRYLDLISNRESFERFVTRSKIISEIRRYLDQKGFLEVETPVLHNEAGGAAARPFITHHNAQNIDMVLRIATELHLKRLIVGGMERVYEIGRIFRNEGMDATHNPEFTSIEVYQAYADFQDIMDLTEGIIQHAAKSVKGDGPVNYQGTEIKINEPFKRVHMVDAIREITGVDFWQDMTLEEAKAIAAEKKVPVEKHYTEVGHIINAFFEEFVEETLIQPTFVYGHPVAVSPLAKKNPEDQRFTDRFELFIMTKEYGNAFTELNDPIDQLSRFEAQAKAKELGDDEATGIDYDYIEALEYGMPPTGGLGIGIDRLCMLLTDTTTIRDVLLFPTMK
Complex: ATP_A_3(1E24) / Model_10(1E24/A) = [6.9] Download1310.46-10.61MSTEHMEELNDQQIVRREKMAALREQGIDPFGKRFERTANSQELKDKYANLDKEQLHDKNETATIAGRLVTKRGKGKVGFAHLQDREGQIQIYVRKDAVGEENYEIFKKADLGDFLGVEGEVMRTDMGELSIKATHITHLSKALRPLPEKFHGLTDVETIYRKRYLDLISNRESFERFVTRSKIISEIRRYLDQKGFLEVETPVLHNEAGGAAARPFITHHNAQNIDMVLRIATELHLKRLIVGGMERVYEIGRIFRNEGMDATHNPEFTSIEVYQAYADFQDIMDLTEGIIQHAAKSVKGDGPVNYQGTEIKINEPFKRVHMVDAIREITGVDFWQDMTLEEAKAIAAEKKVPVEKHYTEVGHIINAFFEEFVEETLIQPTFVYGHPVAVSPLAKKNPEDQRFTDRFELFIMTKEYGNAFTELNDPIDQLSRFEAQAKAKELGDDEATGIDYDYIEALEYGMPPTGGLGIGIDRLCMLLTDTTTIRDVLLFPTMK
Complex: ACP_A_3(1E22) / Model_9(1E22/A) = [6.7] Download1082.79-10.61MSTEHMEELNDQQIVRREKMAALREQGIDPFGKRFERTANSQELKDKYANLDKEQLHDKNETATIAGRLVTKRGKGKVGFAHLQDREGQIQIYVRKDAVGEENYEIFKKADLGDFLGVEGEVMRTDMGELSIKATHITHLSKALRPLPEKFHGLTDVETIYRKRYLDLISNRESFERFVTRSKIISEIRRYLDQKGFLEVETPVLHNEAGGAAARPFITHHNAQNIDMVLRIATELHLKRLIVGGMERVYEIGRIFRNEGMDATHNPEFTSIEVYQAYADFQDIMDLTEGIIQHAAKSVKGDGPVNYQGTEIKINEPFKRVHMVDAIREITGVDFWQDMTLEEAKAIAAEKKVPVEKHYTEVGHIINAFFEEFVEETLIQPTFVYGHPVAVSPLAKKNPEDQRFTDRFELFIMTKEYGNAFTELNDPIDQLSRFEAQAKAKELGDDEATGIDYDYIEALEYGMPPTGGLGIGIDRLCMLLTDTTTIRDVLLFPTMK
Complex: KRS_A_4(4YCU) / Model_85(4YCU/A) = [6.1] Download636.54-9.32MSTEHMEELNDQQIVRREKMAALREQGIDPFGKRFERTANSQELKDKYANLDKEQLHDKNETATIAGRLVTKRGKGKVGFAHLQDREGQIQIYVRKDAVGEENYEIFKKADLGDFLGVEGEVMRTDMGELSIKATHITHLSKALRPLPEKFHGLTDVETIYRKRYLDLISNRESFERFVTRSKIISEIRRYLDQKGFLEVETPVLHNEAGGAAARPFITHHNAQNIDMVLRIATELHLKRLIVGGMERVYEIGRIFRNEGMDATHNPEFTSIEVYQAYADFQDIMDLTEGIIQHAAKSVKGDGPVNYQGTEIKINEPFKRVHMVDAIREITGVDFWQDMTLEEAKAIAAEKKVPVEKHYTEVGHIINAFFEEFVEETLIQPTFVYGHPVAVSPLAKKNPEDQRFTDRFELFIMTKEYGNAFTELNDPIDQLSRFEAQAKAKELGDDEATGIDYDYIEALEYGMPPTGGLGIGIDRLCMLLTDTTTIRDVLLFPTMK
Complex: ANP_A_2(4UPA) / Model_63(4UPA/A) = [5.9] Download1225.54-12.84MSTEHMEELNDQQIVRREKMAALREQGIDPFGKRFERTANSQELKDKYANLDKEQLHDKNETATIAGRLVTKRGKGKVGFAHLQDREGQIQIYVRKDAVGEENYEIFKKADLGDFLGVEGEVMRTDMGELSIKATHITHLSKALRPLPEKFHGLTDVETIYRKRYLDLISNRESFERFVTRSKIISEIRRYLDQKGFLEVETPVLHNEAGGAAARPFITHHNAQNIDMVLRIATELHLKRLIVGGMERVYEIGRIFRNEGMDATHNPEFTSIEVYQAYADFQDIMDLTEGIIQHAAKSVKGDGPVNYQGTEIKINEPFKRVHMVDAIREITGVDFWQDMTLEEAKAIAAEKKVPVEKHYTEVGHIINAFFEEFVEETLIQPTFVYGHPVAVSPLAKKNPEDQRFTDRFELFIMTKEYGNAFTELNDPIDQLSRFEAQAKAKELGDDEATGIDYDYIEALEYGMPPTGGLGIGIDRLCMLLTDTTTIRDVLLFPTMK
Consensus
[pKd Mean = 6.74]		-1012
(s=254)		-8
(s=4)		MSTEHMEELNDQQIVRREKMAALREQGIDPFGKRFERTANSQELKDKYANLDKEQLHDKNETATIAGRLVTKRGKGKVGFAHLQDREGQIQIYVRKDAVGEENYEIFKKADLGDFLGVEGEVMRTDMGELSIKATHITHLSKALRPLPEKFHGLTDVETIYRKRYLDLISNRESFERFVTRSKIISEIRRYLDQKGFLEVETPVLHNEAGGAAARPFITHHNAQNIDMVLRIATELHLKRLIVGGMERVYEIGRIFRNEGMDATHNPEFTSIEVYQAYADFQDIMDLTEGIIQHAAKSVKGDGPVNYQGTEIKINEPFKRVHMVDAIREITGVDFWQDMTLEEAKAIAAEKKVPVEKHYTEVGHIINAFFEEFVEETLIQPTFVYGHPVAVSPLAKKNPEDQRFTDRFELFIMTKEYGNAFTELNDPIDQLSRFEAQAKAKELGDDEATGIDYDYIEALEYGMPPTGGLGIGIDRLCMLLTDTTTIRDVLLFPTMK



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]
ILE232CD1454[O],
ILE232CG1553[O], 1[N], 1[C],
ILE232CG2351[O], 1[N], 1[C],
THR234OG1553[C], 1[N], 1[O],
GLU235OE11251[P], 6[C], 2[N], 3[O],
GLU235CD1052[O], 2[N], 6[C],
GLU235CG956[C], 2[N], 1[O],
GLU235OE21052[O], 2[N], 6[C],
LEU236CD2252[N],
LEU236CG151[N],
LEU238CD1251[C], 1[N],
LYS239CD251[N], 1[C],
LYS239NZ552[N], 3[C],
LYS239CE552[N], 3[C],
LYS239CG251[N], 1[C],
ILE255CG253512[O], 12[N], 27[C], 2[P],
ILE255CD177517[O], 11[N], 46[C], 3[P],
ILE255CG149513[O], 7[N], 29[C],
ARG257NE118533[O], 56[C], 22[N], 7[P],
ARG257CD113550[C], 21[N], 35[O], 7[P],
ARG257CZ126558[C], 22[N], 38[O], 8[P],
ARG257CG69518[O], 29[C], 18[N], 4[P],
GLU259OE15856[P], 15[N], 21[C], 16[O],
GLU259CD58517[N], 24[C], 12[O], 5[P],
GLU259OE27557[P], 24[O], 16[N], 28[C],
GLU259CG35519[C], 10[N], 6[O],
MET261CG151[N],
MET261SD252[N],
MET261CE151[N],
ASP262OD21151[P], 6[O], 1[N], 3[C],
ASP262OD11251[P], 2[N], 6[C], 3[O],
ASP262CG551[N], 2[C], 2[O],
THR264CG23252[P], 11[C], 11[N], 8[O],
THR264OG165528[C], 19[N], 15[O], 3[P],
HIS265CD210557[P], 45[C], 21[N], 32[O],
HIS265CE191526[O], 37[C], 21[N], 7[P],
HIS265NE210457[P], 31[O], 45[C], 21[N],
HIS265ND178519[O], 21[N], 32[C], 6[P],
HIS265CG8356[P], 37[C], 21[N], 19[O],
ASN266OD11951[O], 10[C], 8[N],
ASN266ND21951[O], 8[N], 10[C],
ASN266CG2151[O], 10[C], 10[N],
PRO267CD21511[C], 8[N], 2[O],
PRO267CG1752[O], 8[N], 7[C],
PHE269CE110755[P], 20[N], 54[C], 28[O],
PHE269CZ12156[P], 20[N], 58[C], 37[O],
PHE269CE2119520[N], 58[C], 35[O], 6[P],
PHE269CG92520[N], 53[C], 19[O],
PHE269CD191518[O], 53[C], 20[N],
PHE269CD2104556[C], 20[N], 25[O], 3[P],
SER271OG72537[C], 11[N], 22[O], 2[P],
GLU273CD2252[N], 13[C], 6[O], 1[P],
GLU273CG2352[N], 14[C], 6[O], 1[P],
GLU273OE23052[N], 15[C], 11[O], 2[P],
GLU273OE11352[O], 9[C], 2[N],
VAL274CG2252[C],
TYR275CE1755[C], 2[N],
TYR275CG451[N], 3[C],
TYR275CD1652[N], 4[C],
TYR275CD2551[N], 4[C],
TYR275CZ752[N], 5[C],
TYR275CE2755[C], 2[N],
ILE284CG2151[C],
ILE284CG1151[C],
ILE284CD1453[C], 1[N],
ASN367ND2353[O],
PHE370CE2151[O],
GLU371OE11158[O], 3[P],
GLU371CG957[O], 2[P],
GLU371OE21651[C], 11[O], 4[P],
GLU371CD1453[P], 1[C], 10[O],
GLU375CG755[O], 2[P],
GLU375CD1459[O], 1[C], 4[P],
GLU375OE11353[P], 9[O], 1[C],
GLU375OE22154[P], 15[O], 2[C],
LEU394CD1956[C], 2[N], 1[O],
LEU394CG552[N], 3[C],
LEU394CD2151[N],
ARG407NE1455[O], 1[N], 6[C], 2[P],
ARG407CD352[C], 1[N],
ARG407CG351[N], 2[C],
ARG407CZ1653[P], 9[O], 4[C],
GLU409OE13557[P], 7[C], 21[O],
GLU409CD44522[O], 15[C], 7[P],
GLU409OE259529[O], 23[C], 7[P],
GLU409CG29515[O], 9[C], 5[P],
PHE411CD2957[O], 2[P],
PHE411CE1151[O],
PHE411CE21352[P], 1[C], 10[O],
PHE411CG151[O],
PHE411CZ1059[O], 1[P],
LYS415NZ352[O], 1[P],
LYS415CE252[O],
LYS415CG252[O],
LYS415CD652[P], 4[O],
GLU416CD8357[P], 35[O], 6[N], 35[C],
GLU416OE28457[P], 35[O], 6[N], 36[C],
GLU416OE183535[O], 35[C], 6[N], 7[P],
GLU416CG7657[P], 35[O], 31[C], 3[N],
TYR417CD12259[O], 13[C],
TYR417CG1556[O], 9[C],
TYR417CD2453[O], 1[C],
TYR417CE11055[O], 5[C],
TYR417CZ252[O],
ASN419CG5255[P], 2[N], 23[C], 22[O],
ASN419ND255524[O], 24[C], 2[N], 5[P],
ASN419OD14353[P], 18[O], 20[C], 2[N],
PHE421CE21354[O], 6[C], 2[N], 1[P],
PHE421CE1856[C], 2[N],
PHE421CZ1052[O], 6[C], 2[N],
PHE421CD1755[C], 2[N],
PHE421CG755[C], 2[N],
PHE421CD2951[O], 2[N], 6[C],
GLU423CG453[C], 1[N],
GLU423OE1755[C], 2[N],
GLU423OE2752[N], 5[C],
GLU423CD654[C], 2[N],
GLU447CD252[O],
GLU447OE2353[O],
GLU447OE1252[O],
THR466CG2151[N],
LEU469CD1751[O], 1[N], 5[C],
LEU469CG655[C], 1[N],
LEU469CD2252[C],
ILE471CG231512[O], 19[C],
ILE471CG11958[O], 11[C],
ILE473CG1151[O],
ASP474OD266512[O], 35[C], 19[N],
ASP474CG4154[O], 24[C], 13[N],
ASP474OD12052[O], 8[N], 10[C],
ARG475CG94521[O], 19[N], 51[C], 3[P],
ARG475NE11656[P], 35[O], 21[N], 54[C],
ARG475CZ13059[P], 21[N], 56[C], 44[O],
ARG475CD10754[P], 29[O], 20[N], 54[C],
MET478SD1052[O], 3[N], 5[C],
MET478CG151[O],
ILE486CG135512[N], 20[C], 3[O],
ILE486CD16457[O], 20[N], 37[C],
ILE486CG22652[O], 12[C], 12[N],
LEU490CG151[O],
LEU490CD2451[O], 3[N],
LEU490CD1151[O],
Total = 142



Download csv file of statistical distribution of contacts