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 :C4_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 C4_S1
Complex: GGM_A_2(3B1V) / Model_8(3B1V/A) = [10.7] Download970.7520.56MSDALRIALVGNPNCGKTSLFNHLTGTRQKVANYAGVTVERKVGHFQLPSGRSVRVLDLPGAYSLNATSPDEAITRDVCLGKIAEEGQQDAFLCVVDATNLKLHLGLVLEMIELGRPILLVLNMMDEARRRGIQINTQKLSQRLGVPVVETVAVRNAGIENLLHALDQEKYSVPQTELSGLTGTHHQKIDMIFKDVVHYVDQEDKRTDFLDRIFLHPVLGLLSLAIMMFIVFQAVFAWAAPFMDGIEGFFGWLGEVVGSVITQPLLHSLVVDGIIAGAGGVVVFLPQILILFFFILVLEESGYLPRAAFLLDKLMFQAGLSGRAFIPLLSSFACAVPGIMATRSISDPRDRFTTIMVAPLMTCSARLPVYALLIAAFIPEKMVWGIFNLQGLVLFGLYMAGIVSALCVSFLMKFFQKDKSQHALLLELPSYRFPDLKSVGIGLLDRAKIFLKRVGGIIFALSILLWFLCTFPQPPEGATLPAIDYSFAGMLGHLIQPLFAPVGFNWQICIALIPAMAAREVVVAALGTVYALSATDEDAVAQGLSHLISADGTGWSLATGLSLLVWFIYAPHCLATLATVRRETGSWKHVAAMTAYLFGLAYFASFVTYQIASHYWG
Complex: GNP_A_3(3B1X) / Model_6(3B1X/A) = [9.0] Download952.9622.42MSDALRIALVGNPNCGKTSLFNHLTGTRQKVANYAGVTVERKVGHFQLPSGRSVRVLDLPGAYSLNATSPDEAITRDVCLGKIAEEGQQDAFLCVVDATNLKLHLGLVLEMIELGRPILLVLNMMDEARRRGIQINTQKLSQRLGVPVVETVAVRNAGIENLLHALDQEKYSVPQTELSGLTGTHHQKIDMIFKDVVHYVDQEDKRTDFLDRIFLHPVLGLLSLAIMMFIVFQAVFAWAAPFMDGIEGFFGWLGEVVGSVITQPLLHSLVVDGIIAGAGGVVVFLPQILILFFFILVLEESGYLPRAAFLLDKLMFQAGLSGRAFIPLLSSFACAVPGIMATRSISDPRDRFTTIMVAPLMTCSARLPVYALLIAAFIPEKMVWGIFNLQGLVLFGLYMAGIVSALCVSFLMKFFQKDKSQHALLLELPSYRFPDLKSVGIGLLDRAKIFLKRVGGIIFALSILLWFLCTFPQPPEGATLPAIDYSFAGMLGHLIQPLFAPVGFNWQICIALIPAMAAREVVVAALGTVYALSATDEDAVAQGLSHLISADGTGWSLATGLSLLVWFIYAPHCLATLATVRRETGSWKHVAAMTAYLFGLAYFASFVTYQIASHYWG
Complex: AGO_C_8(3HYT) / Model_37(3HYT/C) = [7.2] Download886.6120.00MSDALRIALVGNPNCGKTSLFNHLTGTRQKVANYAGVTVERKVGHFQLPSGRSVRVLDLPGAYSLNATSPDEAITRDVCLGKIAEEGQQDAFLCVVDATNLKLHLGLVLEMIELGRPILLVLNMMDEARRRGIQINTQKLSQRLGVPVVETVAVRNAGIENLLHALDQEKYSVPQTELSGLTGTHHQKIDMIFKDVVHYVDQEDKRTDFLDRIFLHPVLGLLSLAIMMFIVFQAVFAWAAPFMDGIEGFFGWLGEVVGSVITQPLLHSLVVDGIIAGAGGVVVFLPQILILFFFILVLEESGYLPRAAFLLDKLMFQAGLSGRAFIPLLSSFACAVPGIMATRSISDPRDRFTTIMVAPLMTCSARLPVYALLIAAFIPEKMVWGIFNLQGLVLFGLYMAGIVSALCVSFLMKFFQKDKSQHALLLELPSYRFPDLKSVGIGLLDRAKIFLKRVGGIIFALSILLWFLCTFPQPPEGATLPAIDYSFAGMLGHLIQPLFAPVGFNWQICIALIPAMAAREVVVAALGTVYALSATDEDAVAQGLSHLISADGTGWSLATGLSLLVWFIYAPHCLATLATVRRETGSWKHVAAMTAYLFGLAYFASFVTYQIASHYWG
Complex: GCP_B_7(3I92) / Model_34(3I92/B) = [7.0] Download1288.0711.52MSDALRIALVGNPNCGKTSLFNHLTGTRQKVANYAGVTVERKVGHFQLPSGRSVRVLDLPGAYSLNATSPDEAITRDVCLGKIAEEGQQDAFLCVVDATNLKLHLGLVLEMIELGRPILLVLNMMDEARRRGIQINTQKLSQRLGVPVVETVAVRNAGIENLLHALDQEKYSVPQTELSGLTGTHHQKIDMIFKDVVHYVDQEDKRTDFLDRIFLHPVLGLLSLAIMMFIVFQAVFAWAAPFMDGIEGFFGWLGEVVGSVITQPLLHSLVVDGIIAGAGGVVVFLPQILILFFFILVLEESGYLPRAAFLLDKLMFQAGLSGRAFIPLLSSFACAVPGIMATRSISDPRDRFTTIMVAPLMTCSARLPVYALLIAAFIPEKMVWGIFNLQGLVLFGLYMAGIVSALCVSFLMKFFQKDKSQHALLLELPSYRFPDLKSVGIGLLDRAKIFLKRVGGIIFALSILLWFLCTFPQPPEGATLPAIDYSFAGMLGHLIQPLFAPVGFNWQICIALIPAMAAREVVVAALGTVYALSATDEDAVAQGLSHLISADGTGWSLATGLSLLVWFIYAPHCLATLATVRRETGSWKHVAAMTAYLFGLAYFASFVTYQIASHYWG
Complex: GNH_A_2(3B1Y) / Model_7(3B1Y/A) = [6.9] Download850.2917.27MSDALRIALVGNPNCGKTSLFNHLTGTRQKVANYAGVTVERKVGHFQLPSGRSVRVLDLPGAYSLNATSPDEAITRDVCLGKIAEEGQQDAFLCVVDATNLKLHLGLVLEMIELGRPILLVLNMMDEARRRGIQINTQKLSQRLGVPVVETVAVRNAGIENLLHALDQEKYSVPQTELSGLTGTHHQKIDMIFKDVVHYVDQEDKRTDFLDRIFLHPVLGLLSLAIMMFIVFQAVFAWAAPFMDGIEGFFGWLGEVVGSVITQPLLHSLVVDGIIAGAGGVVVFLPQILILFFFILVLEESGYLPRAAFLLDKLMFQAGLSGRAFIPLLSSFACAVPGIMATRSISDPRDRFTTIMVAPLMTCSARLPVYALLIAAFIPEKMVWGIFNLQGLVLFGLYMAGIVSALCVSFLMKFFQKDKSQHALLLELPSYRFPDLKSVGIGLLDRAKIFLKRVGGIIFALSILLWFLCTFPQPPEGATLPAIDYSFAGMLGHLIQPLFAPVGFNWQICIALIPAMAAREVVVAALGTVYALSATDEDAVAQGLSHLISADGTGWSLATGLSLLVWFIYAPHCLATLATVRRETGSWKHVAAMTAYLFGLAYFASFVTYQIASHYWG
Consensus
[pKd Mean = 8.16]		-989
(s=155)		18
(s=3)		MSDALRIALVGNPNCGKTSLFNHLTGTRQKVANYAGVTVERKVGHFQLPSGRSVRVLDLPGAYSLNATSPDEAITRDVCLGKIAEEGQQDAFLCVVDATNLKLHLGLVLEMIELGRPILLVLNMMDEARRRGIQINTQKLSQRLGVPVVETVAVRNAGIENLLHALDQEKYSVPQTELSGLTGTHHQKIDMIFKDVVHYVDQEDKRTDFLDRIFLHPVLGLLSLAIMMFIVFQAVFAWAAPFMDGIEGFFGWLGEVVGSVITQPLLHSLVVDGIIAGAGGVVVFLPQILILFFFILVLEESGYLPRAAFLLDKLMFQAGLSGRAFIPLLSSFACAVPGIMATRSISDPRDRFTTIMVAPLMTCSARLPVYALLIAAFIPEKMVWGIFNLQGLVLFGLYMAGIVSALCVSFLMKFFQKDKSQHALLLELPSYRFPDLKSVGIGLLDRAKIFLKRVGGIIFALSILLWFLCTFPQPPEGATLPAIDYSFAGMLGHLIQPLFAPVGFNWQICIALIPAMAAREVVVAALGTVYALSATDEDAVAQGLSHLISADGTGWSLATGLSLLVWFIYAPHCLATLATVRRETGSWKHVAAMTAYLFGLAYFASFVTYQIASHYWG



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]
GLY11C474[O],
GLY11O777[O],
ASN12CA474[O],
ASN12N171[O],
ASN12O37710[P], 4[N], 23[O],
ASN12C19713[O], 4[P], 2[N],
PRO13O30717[O], 4[N], 1[C], 8[P],
PRO13CD777[O],
PRO13C44711[P], 1[C], 4[N], 28[O],
PRO13CB2971[C], 4[N], 5[P], 19[O],
PRO13N2373[N], 4[P], 16[O],
PRO13CG1073[P], 7[O],
PRO13CA39711[P], 1[C], 4[N], 23[O],
ASN14OD17373[N], 28[C], 10[P], 32[O],
ASN14CB58728[O], 12[P], 14[C], 4[N],
ASN14CG59720[C], 4[N], 8[P], 27[O],
ASN14O61715[C], 4[N], 11[P], 31[O],
ASN14ND245718[O], 20[C], 2[N], 5[P],
ASN14CA89718[P], 15[C], 4[N], 52[O],
ASN14N73718[P], 7[C], 4[N], 44[O],
ASN14C77741[O], 18[P], 4[N], 14[C],
CYS15N73718[P], 4[N], 10[C], 41[O],
CYS15C87740[O], 18[C], 15[N], 14[P],
CYS15CA4375[C], 4[N], 11[P], 23[O],
CYS15SG3172[N], 7[P], 22[O],
CYS15O71725[C], 14[N], 6[P], 26[O],
CYS15CB2176[P], 15[O],
GLY16N117752[O], 14[P], 33[C], 18[N],
GLY16C90714[P], 17[C], 14[N], 45[O],
GLY16CA135752[C], 17[N], 14[P], 52[O],
GLY16O70735[O], 14[P], 10[N], 11[C],
LYS17CB59739[O], 15[P], 1[C], 4[N],
LYS17C4771[N], 14[P], 32[O],
LYS17NZ43710[P], 3[N], 1[C], 29[O],
LYS17CG3078[P], 1[N], 21[O],
LYS17N77746[O], 14[P], 10[C], 7[N],
LYS17CA48731[O], 3[N], 14[P],
LYS17CE42711[P], 3[N], 1[C], 27[O],
LYS17CD26719[O], 7[P],
LYS17O2375[P], 18[O],
THR18N69715[P], 1[C], 4[N], 49[O],
THR18C41712[P], 29[O],
THR18OG168718[P], 1[C], 4[N], 45[O],
THR18CB67715[P], 4[N], 1[C], 47[O],
THR18CG23079[P], 21[O],
THR18O12712[O],
THR18CA53738[O], 14[P], 1[N],
SER19O474[O],
SER19N5971[N], 8[C], 14[P], 36[O],
SER19C871[C], 7[O],
SER19OG130752[O], 8[P], 14[N], 56[C],
SER19CA46722[O], 7[P], 7[N], 10[C],
SER19CB102737[O], 44[C], 14[N], 7[P],
LEU20N1077[O], 3[N],
LEU20CG373[N],
ASN22ND2171[O],
LYS30O1172[P], 9[O],
LYS30C373[O],
VAL31CB30711[C], 3[P], 16[O],
VAL31C3073[P], 1[N], 13[C], 13[O],
VAL31O1871[P], 9[C], 1[N], 7[O],
VAL31CA21711[O], 7[C], 3[P],
VAL31CG142717[C], 2[N], 3[P], 20[O],
VAL31N1077[O], 3[P],
VAL31CG22673[P], 1[N], 9[C], 13[O],
ALA32C2372[P], 9[C], 12[O],
ALA32O3374[P], 2[N], 13[C], 14[O],
ALA32N2178[C], 2[P], 11[O],
ALA32CA1676[O], 8[C], 2[P],
ALA32CB272[O],
ASN33CA1976[O], 13[C],
ASN33O573[C], 2[O],
ASN33OD1272[O],
ASN33C1072[O], 8[C],
ASN33ND2572[C], 3[O],
ASN33CB17712[C], 5[O],
ASN33CG875[C], 3[O],
ASN33N1978[O], 11[C],
TYR34O1172[C], 2[N], 2[P], 5[O],
TYR34N775[C], 2[O],
TYR34C472[O], 2[N],
ALA35O272[O],
ALA35C672[P], 2[N], 2[O],
ALA35CA672[N], 2[P], 2[O],
ALA35N272[O],
ALA35CB272[O],
GLY36N1072[P], 2[N], 6[O],
GLY36O571[P], 4[O],
GLY36C1072[N], 2[P], 6[O],
GLY36CA1072[P], 2[N], 6[O],
VAL37C874[O], 2[N], 2[P],
VAL37CB1575[P], 2[N], 8[O],
VAL37N1076[O], 2[P], 2[N],
VAL37CG11177[O], 2[P], 2[N],
VAL37CG21072[N], 2[P], 6[O],
VAL37CA1076[O], 2[P], 2[N],
VAL37O474[O],
THR38CB1278[O], 2[N], 2[P],
THR38N1278[O], 2[P], 2[N],
THR38OG11774[P], 2[N], 11[O],
THR38C772[P], 5[O],
THR38O872[P], 6[O],
THR38CG2674[O], 2[P],
THR38CA1072[P], 8[O],
VAL39N272[O],
LYS42NZ272[O],
ASP58OD1979[O],
ASP58OD2777[O],
ASP58CG575[O],
LEU59C575[O],
LEU59O13710[O], 3[P],
PRO60CB474[O],
PRO60N575[O],
PRO60C1279[O], 3[P],
PRO60O474[O],
PRO60CA1279[O], 3[P],
GLY61CA21714[O], 3[N], 4[P],
GLY61N2273[N], 5[P], 14[O],
GLY61C771[P], 6[O],
GLY61O474[O],
ALA62N373[O],
VAL95CG1474[O],
ASN123CA1477[C], 7[O],
ASN123CG4877[O], 26[C], 15[N],
ASN123C28713[C], 8[N], 7[O],
ASN123ND260730[C], 23[N], 7[O],
ASN123O877[O], 1[C],
ASN123OD149716[N], 26[C], 7[O],
ASN123CB28714[C], 7[N], 7[O],
MET124SD94747[C], 33[N], 14[O],
MET124CB65729[N], 29[C], 7[O],
MET124O27712[N], 10[C], 5[O],
MET124CA63728[N], 28[C], 7[O],
MET124C35715[C], 13[N], 7[O],
MET124CG87712[O], 35[N], 40[C],
MET124N4977[O], 26[C], 16[N],
MET124CE124768[C], 28[N], 3[P], 25[O],
MET125N2177[O], 7[N], 7[C],
ASP126CA12712[N],
ASP126C12712[N],
ASP126CB29711[C], 14[N], 4[O],
ASP126CG48720[C], 21[N], 7[O],
ASP126OD256728[C], 21[N], 7[O],
ASP126N1575[O], 1[C], 9[N],
ASP126OD15577[O], 27[C], 21[N],
GLU127OE286731[N], 45[C], 10[O],
GLU127CG43722[C], 21[N],
GLU127CD5871[O], 33[C], 24[N],
GLU127OE142721[C], 21[N],
GLU127N21714[N], 7[C],
GLU127CA1374[C], 9[N],
GLU127CB21714[N], 7[C],
ARG130CD171[N],
ARG130NE171[N],
ARG130CZ776[N], 1[C],
THR151C977[O], 2[C],
THR151CA171[O],
THR151OG1474[O],
THR151O1376[C], 1[N], 6[O],
THR151CB171[O],
THR151CG2373[O],
VAL152C3577[O], 15[C], 13[N],
VAL152CG22176[N], 8[C], 7[O],
VAL152N1571[N], 7[C], 7[O],
VAL152CA32711[N], 14[C], 7[O],
VAL152O1777[O], 2[N], 8[C],
VAL152CB24710[C], 7[N], 7[O],
VAL152CG13977[O], 15[N], 17[C],
ALA153N5277[O], 14[N], 31[C],
ALA153O2276[N], 9[C], 7[O],
ALA153CB55728[C], 20[N], 7[O],
ALA153C5077[O], 29[C], 14[N],
ALA153CA4777[O], 16[N], 24[C],
VAL154N7477[O], 32[N], 35[C],
VAL154CG149725[C], 21[N], 3[O],
VAL154C1374[N], 4[C], 5[O],
VAL154CA6678[O], 28[N], 30[C],
VAL154CG2106736[N], 53[C], 17[O],
VAL154CB82736[N], 35[C], 11[O],
ARG155N1675[C], 6[N], 5[O],
Total = 180



Download csv file of statistical distribution of contacts