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 :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: GGM_A_2(3B1V) / Model_6(3B1V/A) = [11.6] Download1336.0726.54MNIALVGNPNSGKTSLFNLLTGSNQYVGNWPGVTVEKKEGSLKKNPNIHIQDLPGIYSLSPYTPEEVIARDYLVQEQPELIINIIDATNLERNLYLTTQLLDLDIPMIIGLNMMDVIKKEGKKINLEKLSYGLGVPVLPISVLKKQGIEKLIEKIQESAKKRPSIPVPCTYDPRLEAALHEIEDVLGEQSGKKRWYAMKYFERDQKVREDYEIAVSQQKEIEQLIQLTEKLLDDDSETILVNERYEFITQLCTLCVVSNDSFQLSMSDKIDQIATNRWLALPIFAFVMWLIYYLAIQTVGTMGTDWINDTLFGTWLPEHVGRLLAEWQVAGWMQELILNGIIAGVGAVLGFLPQLIILFLCLSFLEDCGYMARIAFVMDRLFRKFGLSGKSFIPMLIATGCGVPGVMASRTIENEQDRRLTIMVTTFMPCSAKLPIIALVAGAFFPHQSWVAPSAYFLGMTAIIFSGISLKKTRLFAGDTAPFIMELPAYHFPQWSAVLRQTYDRSKSFVKKAGTIIFVSSIVIWFSSSYNFYAQPVSEDQSILAFFGRILAVVFQPLGWGNWQGTVAAITGLVAKENIIGTFGILFGHAEVSENGREIWQVLQHTYTPAAAYSLLAFNLLCAPCFAAIGAIHREMNAKKWTWIAIGYQCGLAYLVSFVIYQLGHLLEGGQVALGTYLAILLMIGLVYVLFRQPKSKNQFYTILSLEGEE
Complex: AGO_A_2(3LX5) / Model_1(3LX5/A) = [10.9] Download1589.1428.56MNIALVGNPNSGKTSLFNLLTGSNQYVGNWPGVTVEKKEGSLKKNPNIHIQDLPGIYSLSPYTPEEVIARDYLVQEQPELIINIIDATNLERNLYLTTQLLDLDIPMIIGLNMMDVIKKEGKKINLEKLSYGLGVPVLPISVLKKQGIEKLIEKIQESAKKRPSIPVPCTYDPRLEAALHEIEDVLGEQSGKKRWYAMKYFERDQKVREDYEIAVSQQKEIEQLIQLTEKLLDDDSETILVNERYEFITQLCTLCVVSNDSFQLSMSDKIDQIATNRWLALPIFAFVMWLIYYLAIQTVGTMGTDWINDTLFGTWLPEHVGRLLAEWQVAGWMQELILNGIIAGVGAVLGFLPQLIILFLCLSFLEDCGYMARIAFVMDRLFRKFGLSGKSFIPMLIATGCGVPGVMASRTIENEQDRRLTIMVTTFMPCSAKLPIIALVAGAFFPHQSWVAPSAYFLGMTAIIFSGISLKKTRLFAGDTAPFIMELPAYHFPQWSAVLRQTYDRSKSFVKKAGTIIFVSSIVIWFSSSYNFYAQPVSEDQSILAFFGRILAVVFQPLGWGNWQGTVAAITGLVAKENIIGTFGILFGHAEVSENGREIWQVLQHTYTPAAAYSLLAFNLLCAPCFAAIGAIHREMNAKKWTWIAIGYQCGLAYLVSFVIYQLGHLLEGGQVALGTYLAILLMIGLVYVLFRQPKSKNQFYTILSLEGEE
Complex: GNP_B_5(3B1X) / Model_22(3B1X/B) = [10.2] Download970.4328.12MNIALVGNPNSGKTSLFNLLTGSNQYVGNWPGVTVEKKEGSLKKNPNIHIQDLPGIYSLSPYTPEEVIARDYLVQEQPELIINIIDATNLERNLYLTTQLLDLDIPMIIGLNMMDVIKKEGKKINLEKLSYGLGVPVLPISVLKKQGIEKLIEKIQESAKKRPSIPVPCTYDPRLEAALHEIEDVLGEQSGKKRWYAMKYFERDQKVREDYEIAVSQQKEIEQLIQLTEKLLDDDSETILVNERYEFITQLCTLCVVSNDSFQLSMSDKIDQIATNRWLALPIFAFVMWLIYYLAIQTVGTMGTDWINDTLFGTWLPEHVGRLLAEWQVAGWMQELILNGIIAGVGAVLGFLPQLIILFLCLSFLEDCGYMARIAFVMDRLFRKFGLSGKSFIPMLIATGCGVPGVMASRTIENEQDRRLTIMVTTFMPCSAKLPIIALVAGAFFPHQSWVAPSAYFLGMTAIIFSGISLKKTRLFAGDTAPFIMELPAYHFPQWSAVLRQTYDRSKSFVKKAGTIIFVSSIVIWFSSSYNFYAQPVSEDQSILAFFGRILAVVFQPLGWGNWQGTVAAITGLVAKENIIGTFGILFGHAEVSENGREIWQVLQHTYTPAAAYSLLAFNLLCAPCFAAIGAIHREMNAKKWTWIAIGYQCGLAYLVSFVIYQLGHLLEGGQVALGTYLAILLMIGLVYVLFRQPKSKNQFYTILSLEGEE
Complex: GDP_A_3(3SS8) / Model_3(3SS8/A) = [8.2] Download796.1130.52MNIALVGNPNSGKTSLFNLLTGSNQYVGNWPGVTVEKKEGSLKKNPNIHIQDLPGIYSLSPYTPEEVIARDYLVQEQPELIINIIDATNLERNLYLTTQLLDLDIPMIIGLNMMDVIKKEGKKINLEKLSYGLGVPVLPISVLKKQGIEKLIEKIQESAKKRPSIPVPCTYDPRLEAALHEIEDVLGEQSGKKRWYAMKYFERDQKVREDYEIAVSQQKEIEQLIQLTEKLLDDDSETILVNERYEFITQLCTLCVVSNDSFQLSMSDKIDQIATNRWLALPIFAFVMWLIYYLAIQTVGTMGTDWINDTLFGTWLPEHVGRLLAEWQVAGWMQELILNGIIAGVGAVLGFLPQLIILFLCLSFLEDCGYMARIAFVMDRLFRKFGLSGKSFIPMLIATGCGVPGVMASRTIENEQDRRLTIMVTTFMPCSAKLPIIALVAGAFFPHQSWVAPSAYFLGMTAIIFSGISLKKTRLFAGDTAPFIMELPAYHFPQWSAVLRQTYDRSKSFVKKAGTIIFVSSIVIWFSSSYNFYAQPVSEDQSILAFFGRILAVVFQPLGWGNWQGTVAAITGLVAKENIIGTFGILFGHAEVSENGREIWQVLQHTYTPAAAYSLLAFNLLCAPCFAAIGAIHREMNAKKWTWIAIGYQCGLAYLVSFVIYQLGHLLEGGQVALGTYLAILLMIGLVYVLFRQPKSKNQFYTILSLEGEE
Complex: GNH_A_2(3B1Y) / Model_5(3B1Y/A) = [8.2] Download678.1222.06MNIALVGNPNSGKTSLFNLLTGSNQYVGNWPGVTVEKKEGSLKKNPNIHIQDLPGIYSLSPYTPEEVIARDYLVQEQPELIINIIDATNLERNLYLTTQLLDLDIPMIIGLNMMDVIKKEGKKINLEKLSYGLGVPVLPISVLKKQGIEKLIEKIQESAKKRPSIPVPCTYDPRLEAALHEIEDVLGEQSGKKRWYAMKYFERDQKVREDYEIAVSQQKEIEQLIQLTEKLLDDDSETILVNERYEFITQLCTLCVVSNDSFQLSMSDKIDQIATNRWLALPIFAFVMWLIYYLAIQTVGTMGTDWINDTLFGTWLPEHVGRLLAEWQVAGWMQELILNGIIAGVGAVLGFLPQLIILFLCLSFLEDCGYMARIAFVMDRLFRKFGLSGKSFIPMLIATGCGVPGVMASRTIENEQDRRLTIMVTTFMPCSAKLPIIALVAGAFFPHQSWVAPSAYFLGMTAIIFSGISLKKTRLFAGDTAPFIMELPAYHFPQWSAVLRQTYDRSKSFVKKAGTIIFVSSIVIWFSSSYNFYAQPVSEDQSILAFFGRILAVVFQPLGWGNWQGTVAAITGLVAKENIIGTFGILFGHAEVSENGREIWQVLQHTYTPAAAYSLLAFNLLCAPCFAAIGAIHREMNAKKWTWIAIGYQCGLAYLVSFVIYQLGHLLEGGQVALGTYLAILLMIGLVYVLFRQPKSKNQFYTILSLEGEE
Consensus
[pKd Mean = 9.82]
-1073
(s=340)
27
(s=2)
MNIALVGNPNSGKTSLFNLLTGSNQYVGNWPGVTVEKKEGSLKKNPNIHIQDLPGIYSLSPYTPEEVIARDYLVQEQPELIINIIDATNLERNLYLTTQLLDLDIPMIIGLNMMDVIKKEGKKINLEKLSYGLGVPVLPISVLKKQGIEKLIEKIQESAKKRPSIPVPCTYDPRLEAALHEIEDVLGEQSGKKRWYAMKYFERDQKVREDYEIAVSQQKEIEQLIQLTEKLLDDDSETILVNERYEFITQLCTLCVVSNDSFQLSMSDKIDQIATNRWLALPIFAFVMWLIYYLAIQTVGTMGTDWINDTLFGTWLPEHVGRLLAEWQVAGWMQELILNGIIAGVGAVLGFLPQLIILFLCLSFLEDCGYMARIAFVMDRLFRKFGLSGKSFIPMLIATGCGVPGVMASRTIENEQDRRLTIMVTTFMPCSAKLPIIALVAGAFFPHQSWVAPSAYFLGMTAIIFSGISLKKTRLFAGDTAPFIMELPAYHFPQWSAVLRQTYDRSKSFVKKAGTIIFVSSIVIWFSSSYNFYAQPVSEDQSILAFFGRILAVVFQPLGWGNWQGTVAAITGLVAKENIIGTFGILFGHAEVSENGREIWQVLQHTYTPAAAYSLLAFNLLCAPCFAAIGAIHREMNAKKWTWIAIGYQCGLAYLVSFVIYQLGHLLEGGQVALGTYLAILLMIGLVYVLFRQPKSKNQFYTILSLEGEE



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]
LEU5CD2373[O],
LEU5CD1474[O],
ASN8CG171[O],
PRO9CG39711[P], 4[N], 23[O], 1[C],
PRO9CD3874[N], 11[P], 1[C], 22[O],
ASN10ND2120746[C], 52[O], 17[P], 5[N],
ASN10OD1174760[C], 77[O], 18[P], 19[N],
ASN10CG15179[N], 18[P], 55[C], 69[O],
SER11OG94713[C], 54[O], 9[N], 18[P],
LYS13NZ76716[P], 4[N], 51[O], 5[C],
LYS13CE6871[C], 47[O], 4[N], 16[P],
LYS13CG73718[P], 4[N], 1[C], 50[O],
LYS13CD6374[N], 16[P], 1[C], 42[O],
THR14CG276750[O], 4[C], 18[P], 4[N],
THR14OG186718[P], 4[N], 8[C], 56[O],
SER15OG202714[P], 34[N], 75[O], 79[C],
LEU16CD142717[O], 18[C], 7[N],
LEU16CD23378[N], 19[C], 6[O],
LEU16CG45713[N], 13[O], 19[C],
ASN18OD1676[O],
ASN18CG971[P], 8[O],
ASN18ND22577[P], 18[O],
LEU19CD12177[O], 7[C], 7[N],
VAL27CG1106741[O], 40[C], 17[N], 8[P],
VAL27CG27979[N], 8[P], 38[O], 24[C],
ASN29ND24072[N], 10[O], 28[C],
ASN29CG5172[N], 33[C], 16[O],
ASN29OD135725[C], 10[O],
TRP30CD21071[C], 9[O],
TRP30CG771[C], 5[O], 1[N],
TRP30CD1973[O], 3[P], 3[N],
TRP30CZ31173[C], 8[O],
TRP30CE2676[O],
TRP30CZ2373[O],
TRP30NE1573[O], 2[P],
TRP30CE319711[C], 8[O],
PRO31CG1073[N], 3[P], 4[O],
PRO31CD1274[O], 2[C], 3[P], 3[N],
VAL33CG14873[N], 11[P], 31[O], 3[C],
VAL33CG26273[N], 11[P], 12[C], 36[O],
THR34CG229719[O], 7[P], 3[N],
THR34OG147733[O], 3[N], 11[P],
VAL35CG1771[P], 6[O],
GLU36OE1171[O],
LYS38CE373[O],
LYS38NZ1177[O], 1[C], 3[P],
ASP52OD157738[O], 1[C], 15[P], 3[N],
ASP52OD254714[P], 3[N], 1[C], 36[O],
ASP52CG4673[N], 11[P], 31[O], 1[C],
PRO54CD1073[P], 7[O],
PRO54CG1273[P], 9[O],
ILE56CG2373[O],
TYR57CZ171[O],
GLU65OE2571[P], 4[O],
GLU65OE1876[O], 2[P],
GLU65CD574[O], 1[P],
GLU66CG171[O],
ILE84CG117713[O], 4[P],
ILE84CG26277[N], 9[P], 35[O], 11[C],
ILE84CD11072[P], 8[O],
ASP86CG171[O],
ASP86OD2371[O], 2[C],
ASP86OD132711[N], 16[C], 5[O],
THR88CG21575[C], 10[N],
THR88OG1373[C],
ASN93OD1171[O],
ASN112OD18679[O], 42[C], 35[N],
ASN112CG99735[N], 43[C], 21[O],
ASN112ND2157735[N], 14[P], 64[C], 44[O],
MET113SD16674[P], 37[N], 42[O], 83[C],
MET113CE209714[P], 41[N], 87[C], 67[O],
MET113CG145780[C], 28[O], 37[N],
MET114CG771[C], 6[O],
ASP115CG83739[C], 7[O], 37[N],
ASP115OD193737[N], 49[C], 7[O],
ASP115OD294737[N], 50[C], 7[O],
VAL116CG146725[C], 21[N],
VAL116CG2107714[O], 56[C], 37[N],
LYS119CG575[N],
LYS119CE1377[N], 6[C],
LYS119CD973[C], 6[N],
LYS119NZ20711[N], 9[C],
ILE140CD12577[O], 12[C], 6[N],
ILE140CG12879[N], 12[C], 7[O],
ILE140CG21277[O], 3[C], 2[N],
SER141OG7577[O], 34[C], 34[N],
VAL142CG2129741[O], 52[C], 7[P], 29[N],
VAL142CG1128759[C], 33[O], 6[P], 30[N],
LEU143CD1122763[C], 22[O], 37[N],
LEU143CD2115737[N], 60[C], 18[O],
LEU143CG112717[O], 58[C], 37[N],
LYS144CE2178[C], 1[O], 12[N],
LYS144NZ1178[N], 3[C],
LYS144CD1973[O], 6[C], 10[N],
LYS144CG38715[C], 7[O], 16[N],
GLN146OE1171[O],
ILE148CD1373[O],
ILE148CG1373[O],
Total = 98



Download csv file of statistical distribution of contacts