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 :C11_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 C11_S1
Complex: 3B9_A_7(3BA9) / Model_5(3BA9/A) = [8.7] Download1428.7232.94MMEHEMTIDEAAKRAEELRTRLNQWSREYYVEDKPTVEDYVYDKEYAELVAIEEQYPDLITSDSPTQRVGGKVLEGFEKVTHDIPLYSLNDVFSKEELIAFDQRVQKAVGRVVDYCCELKIDGLSVSLRYEDGNFVRGATRGDGTVGENITENLKTVRSVPIKLKEPMNIEVRGECFMPKRSFVQLNQDREAEGKDIFANPRNAAAGSLRQLDSKITAKRNLDTFLYTVADFGPMQAKTQYDALEELEKIGFHTNREKRLCHSIDEVWSYIEEYHDKRVDLPYEIDGIVIKVNEFSLQDQLGFTIKAPRWAAAYKFPPEEVETLIENIEWTVGRTGVVTPTAIMTPVRVAGTTVSRASLHNGDYIKLKDIRLKDTVLIYKAGDIIPEVSQVVLDKRPKDSEEYQLPTHCPVCGSELVHLDEEVALRCINPKCPAQMKEGLNHFVSRNAMNIDGLGPRVLEQMYDKKLVADVADLYKLTEEELLTLDKIKEKSANNILTAIDNSKDNSVERLIFGLGIRHVGAKAAKILAEHFGDLETLSKSDYESIIALDTIGDIIADSVVTYFSNEEVHELMNELKQAGVNFEYKGLRNAQLQEVESPFKEKTVVLTGKLTRFTREEAKETIENLGGKVTGSVSKKTDIVVAGEDAGSKLTKAQELGIEVWTEDQMADALAKSRSVEE
Complex: 3BD_A_7(3BAB) / Model_7(3BAB/A) = [8.2] Download1260.7828.66MMEHEMTIDEAAKRAEELRTRLNQWSREYYVEDKPTVEDYVYDKEYAELVAIEEQYPDLITSDSPTQRVGGKVLEGFEKVTHDIPLYSLNDVFSKEELIAFDQRVQKAVGRVVDYCCELKIDGLSVSLRYEDGNFVRGATRGDGTVGENITENLKTVRSVPIKLKEPMNIEVRGECFMPKRSFVQLNQDREAEGKDIFANPRNAAAGSLRQLDSKITAKRNLDTFLYTVADFGPMQAKTQYDALEELEKIGFHTNREKRLCHSIDEVWSYIEEYHDKRVDLPYEIDGIVIKVNEFSLQDQLGFTIKAPRWAAAYKFPPEEVETLIENIEWTVGRTGVVTPTAIMTPVRVAGTTVSRASLHNGDYIKLKDIRLKDTVLIYKAGDIIPEVSQVVLDKRPKDSEEYQLPTHCPVCGSELVHLDEEVALRCINPKCPAQMKEGLNHFVSRNAMNIDGLGPRVLEQMYDKKLVADVADLYKLTEEELLTLDKIKEKSANNILTAIDNSKDNSVERLIFGLGIRHVGAKAAKILAEHFGDLETLSKSDYESIIALDTIGDIIADSVVTYFSNEEVHELMNELKQAGVNFEYKGLRNAQLQEVESPFKEKTVVLTGKLTRFTREEAKETIENLGGKVTGSVSKKTDIVVAGEDAGSKLTKAQELGIEVWTEDQMADALAKSRSVEE
Complex: 3BA_A_7(3BAA) / Model_6(3BAA/A) = [8.1] Download872.4033.73MMEHEMTIDEAAKRAEELRTRLNQWSREYYVEDKPTVEDYVYDKEYAELVAIEEQYPDLITSDSPTQRVGGKVLEGFEKVTHDIPLYSLNDVFSKEELIAFDQRVQKAVGRVVDYCCELKIDGLSVSLRYEDGNFVRGATRGDGTVGENITENLKTVRSVPIKLKEPMNIEVRGECFMPKRSFVQLNQDREAEGKDIFANPRNAAAGSLRQLDSKITAKRNLDTFLYTVADFGPMQAKTQYDALEELEKIGFHTNREKRLCHSIDEVWSYIEEYHDKRVDLPYEIDGIVIKVNEFSLQDQLGFTIKAPRWAAAYKFPPEEVETLIENIEWTVGRTGVVTPTAIMTPVRVAGTTVSRASLHNGDYIKLKDIRLKDTVLIYKAGDIIPEVSQVVLDKRPKDSEEYQLPTHCPVCGSELVHLDEEVALRCINPKCPAQMKEGLNHFVSRNAMNIDGLGPRVLEQMYDKKLVADVADLYKLTEEELLTLDKIKEKSANNILTAIDNSKDNSVERLIFGLGIRHVGAKAAKILAEHFGDLETLSKSDYESIIALDTIGDIIADSVVTYFSNEEVHELMNELKQAGVNFEYKGLRNAQLQEVESPFKEKTVVLTGKLTRFTREEAKETIENLGGKVTGSVSKKTDIVVAGEDAGSKLTKAQELGIEVWTEDQMADALAKSRSVEE
Complex: L5Y_A_3(4CC6) / Model_28(4CC6/A) = [7.2] Download1035.0428.85MMEHEMTIDEAAKRAEELRTRLNQWSREYYVEDKPTVEDYVYDKEYAELVAIEEQYPDLITSDSPTQRVGGKVLEGFEKVTHDIPLYSLNDVFSKEELIAFDQRVQKAVGRVVDYCCELKIDGLSVSLRYEDGNFVRGATRGDGTVGENITENLKTVRSVPIKLKEPMNIEVRGECFMPKRSFVQLNQDREAEGKDIFANPRNAAAGSLRQLDSKITAKRNLDTFLYTVADFGPMQAKTQYDALEELEKIGFHTNREKRLCHSIDEVWSYIEEYHDKRVDLPYEIDGIVIKVNEFSLQDQLGFTIKAPRWAAAYKFPPEEVETLIENIEWTVGRTGVVTPTAIMTPVRVAGTTVSRASLHNGDYIKLKDIRLKDTVLIYKAGDIIPEVSQVVLDKRPKDSEEYQLPTHCPVCGSELVHLDEEVALRCINPKCPAQMKEGLNHFVSRNAMNIDGLGPRVLEQMYDKKLVADVADLYKLTEEELLTLDKIKEKSANNILTAIDNSKDNSVERLIFGLGIRHVGAKAAKILAEHFGDLETLSKSDYESIIALDTIGDIIADSVVTYFSNEEVHELMNELKQAGVNFEYKGLRNAQLQEVESPFKEKTVVLTGKLTRFTREEAKETIENLGGKVTGSVSKKTDIVVAGEDAGSKLTKAQELGIEVWTEDQMADALAKSRSVEE
Complex: IVH_A_2(3PN1) / Model_40(3PN1/A) = [7.0] Download880.9023.81MMEHEMTIDEAAKRAEELRTRLNQWSREYYVEDKPTVEDYVYDKEYAELVAIEEQYPDLITSDSPTQRVGGKVLEGFEKVTHDIPLYSLNDVFSKEELIAFDQRVQKAVGRVVDYCCELKIDGLSVSLRYEDGNFVRGATRGDGTVGENITENLKTVRSVPIKLKEPMNIEVRGECFMPKRSFVQLNQDREAEGKDIFANPRNAAAGSLRQLDSKITAKRNLDTFLYTVADFGPMQAKTQYDALEELEKIGFHTNREKRLCHSIDEVWSYIEEYHDKRVDLPYEIDGIVIKVNEFSLQDQLGFTIKAPRWAAAYKFPPEEVETLIENIEWTVGRTGVVTPTAIMTPVRVAGTTVSRASLHNGDYIKLKDIRLKDTVLIYKAGDIIPEVSQVVLDKRPKDSEEYQLPTHCPVCGSELVHLDEEVALRCINPKCPAQMKEGLNHFVSRNAMNIDGLGPRVLEQMYDKKLVADVADLYKLTEEELLTLDKIKEKSANNILTAIDNSKDNSVERLIFGLGIRHVGAKAAKILAEHFGDLETLSKSDYESIIALDTIGDIIADSVVTYFSNEEVHELMNELKQAGVNFEYKGLRNAQLQEVESPFKEKTVVLTGKLTRFTREEAKETIENLGGKVTGSVSKKTDIVVAGEDAGSKLTKAQELGIEVWTEDQMADALAKSRSVEE
Consensus
[pKd Mean = 7.84]
-1095
(s=218)
29
(s=3)
MMEHEMTIDEAAKRAEELRTRLNQWSREYYVEDKPTVEDYVYDKEYAELVAIEEQYPDLITSDSPTQRVGGKVLEGFEKVTHDIPLYSLNDVFSKEELIAFDQRVQKAVGRVVDYCCELKIDGLSVSLRYEDGNFVRGATRGDGTVGENITENLKTVRSVPIKLKEPMNIEVRGECFMPKRSFVQLNQDREAEGKDIFANPRNAAAGSLRQLDSKITAKRNLDTFLYTVADFGPMQAKTQYDALEELEKIGFHTNREKRLCHSIDEVWSYIEEYHDKRVDLPYEIDGIVIKVNEFSLQDQLGFTIKAPRWAAAYKFPPEEVETLIENIEWTVGRTGVVTPTAIMTPVRVAGTTVSRASLHNGDYIKLKDIRLKDTVLIYKAGDIIPEVSQVVLDKRPKDSEEYQLPTHCPVCGSELVHLDEEVALRCINPKCPAQMKEGLNHFVSRNAMNIDGLGPRVLEQMYDKKLVADVADLYKLTEEELLTLDKIKEKSANNILTAIDNSKDNSVERLIFGLGIRHVGAKAAKILAEHFGDLETLSKSDYESIIALDTIGDIIADSVVTYFSNEEVHELMNELKQAGVNFEYKGLRNAQLQEVESPFKEKTVVLTGKLTRFTREEAKETIENLGGKVTGSVSKKTDIVVAGEDAGSKLTKAQELGIEVWTEDQMADALAKSRSVEE



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]
ILE84CG216152[O], 13[C], 1[N],
ILE84CG111151[O], 10[C],
ILE84CD1111510[C], 1[O],
PRO85CD15152[O], 13[C],
PRO85CG15152[O], 13[C],
LEU86CD1431531[C], 8[N], 4[O],
LEU86CD299151[F], 9[O], 18[N], 71[C],
LEU86CG661511[N], 50[C], 3[O], 1[F],
TYR87CZ49152[S], 34[C], 4[N], 4[F], 4[O],
TYR87CG1001512[N], 77[C], 4[F], 4[O], 2[S],
TYR87CD2641549[C], 6[N], 4[O], 4[F],
TYR87CE166152[S], 4[N], 50[C], 5[O], 4[F],
TYR87CD193154[F], 4[O], 75[C], 7[N], 2[S],
TYR87CE248152[S], 33[C], 4[N], 4[F], 4[O],
SER88OG84151[S], 57[C], 14[N], 9[O], 2[F],
LEU89CD2273154[S], 19[O], 4[F], 183[C], 62[N],
LEU89CD1308154[S], 77[N], 193[C], 1[P], 28[O], 4[F],
LEU89CG299154[F], 1[P], 23[O], 73[N], 193[C], 4[S],
ASP91OD114156[C], 1[P], 7[O],
ASP91OD213156[C], 6[O], 1[P],
ASP91CG10156[O], 1[P], 3[C],
PHE93CE11151[O],
PHE93CZ1151[O],
PHE93CE21151[O],
CYS116SG4151[O], 3[N],
GLU118OE219115116[C], 58[N], 14[O], 3[S],
GLU118CD165153[S], 100[C], 49[N], 13[O],
GLU118OE1169153[S], 2[F], 13[O], 52[N], 99[C],
GLU118CG1241513[O], 63[C], 45[N], 3[S],
LEU119CD21151[N],
LEU119CG24153[C], 14[N], 7[O],
LYS120CE233153[S], 1[P], 27[O], 135[C], 66[N],
LYS120NZ2051522[O], 1[P], 132[C], 46[N], 3[S],
LYS120CD213151[P], 23[O], 123[C], 62[N], 3[S],
LYS120CG226151[P], 27[O], 127[C], 67[N], 3[S],
ILE121CG294159[O], 34[N], 51[C],
ILE121CD1108158[O], 39[N], 61[C],
ILE121CG11351512[O], 73[C], 50[N],
ASP122OD111153[N], 3[C], 4[O], 1[P],
ASP122OD221151[P], 4[O], 9[N], 7[C],
ASP122CG19156[C], 9[N], 3[O], 1[P],
LEU124CD122154[N], 13[C], 5[O],
LEU124CG22155[O], 13[C], 4[N],
LEU124CD218153[O], 11[C], 4[N],
SER125OG194153[S], 1[F], 11[O], 137[C], 41[N],
VAL126CG21151[C],
SER127OG2151[C], 1[N],
ARG141CD921518[N], 62[C], 1[F], 9[O], 1[S],
ARG141CZ901510[O], 2[F], 19[N], 57[C], 1[S],
ARG141CG55151[S], 36[C], 13[N], 4[O],
ARG141NE95151[S], 65[C], 17[N], 1[F], 10[O],
ASP143OD21151[O],
ASP143OD16153[O], 3[C],
ASP143CG2152[O],
ARG173NE23153[N], 18[C], 1[F], 1[O],
ARG173CD561546[C], 6[N], 2[F], 2[O],
ARG173CZ24152[O], 1[F], 3[N], 18[C],
ARG173CG441532[C], 8[N], 1[F], 3[O],
GLU175CD2301570[N], 135[C], 20[O], 1[P], 3[S],
GLU175OE22411524[O], 1[P], 140[C], 72[N], 3[S],
GLU175OE12201559[N], 132[C], 23[O], 1[P], 4[S],
GLU175CG1901559[N], 113[C], 16[O], 2[S],
PHE177CE12151[O], 1[N],
PHE177CD13151[O], 2[N],
PHE177CD22152[O],
ARG202CD12151[P], 3[O], 7[C], 1[N],
ARG202NE14151[N], 8[C], 4[O], 1[P],
ARG202CZ18158[C], 3[N], 1[P], 6[O],
ARG202CG8153[O], 4[C], 1[N],
PHE225CD116157[O], 3[N], 6[C],
PHE225CG21157[O], 11[N], 3[C],
PHE225CD23151[N], 2[C],
PHE225CE14154[O],
TYR227CG2801521[O], 3[F], 77[N], 174[C], 4[S],
TYR227CE1291154[S], 182[C], 77[N], 3[F], 24[O],
TYR227CE2302154[S], 191[C], 78[N], 3[F], 25[O],
TYR227CD2292154[S], 23[O], 1[F], 186[C], 77[N],
TYR227CZ305154[S], 79[N], 193[C], 25[O], 3[F],
TYR227CD1274154[S], 22[O], 3[F], 168[C], 76[N],
THR228CG2217153[S], 49[N], 148[C], 4[F], 12[O],
THR228OG11501534[N], 99[C], 4[F], 10[O], 3[S],
PHE232CE26151[O], 5[C],
PHE232CZ4151[F], 3[C],
PHE232CD23151[O], 2[C],
GLN240OE168151[S], 20[N], 38[C], 2[F], 7[O],
GLN240CD72151[S], 25[N], 37[C], 7[O], 2[F],
GLN240NE279152[S], 2[F], 7[O], 43[C], 25[N],
GLN240CG33159[C], 15[N], 6[O], 2[F], 1[S],
LEU244CD237152[O], 24[N], 11[C],
LEU244CG12158[N], 2[C], 2[O],
LEU244CD1231517[N], 4[C], 2[O],
HIS253CD210155[C], 5[N],
HIS253NE210155[N], 5[C],
HIS253CE18154[N], 4[C],
HIS253CG8153[N], 5[C],
HIS253ND16153[N], 3[C],
ASN255ND213153[O], 2[C], 8[N],
ASN255CG21156[O], 3[C], 12[N],
ASN255OD17153[O], 3[N], 1[C],
LYS258CD11158[N], 3[C],
LYS258CE241512[C], 10[N], 2[O],
LYS258NZ21152[O], 8[N], 11[C],
LYS258CG5151[C], 4[N],
TYR283CE12152[N],
TYR283CZ1151[N],
GLU284CD1151[O],
GLU284OE11151[O],
ILE285CD14152[C], 2[N],
ILE285CG2311513[N], 10[C], 8[O],
ASP286OD150151[P], 8[O], 16[N], 25[C],
ASP286OD2621510[O], 1[P], 16[N], 35[C],
ASP286CG461515[N], 19[C], 11[O], 1[P],
ILE288CG11151[N],
VAL289CG2268154[S], 161[C], 73[N], 1[P], 1[F], 27[O],
VAL289CG1276154[S], 21[O], 3[F], 175[C], 72[N],
LYS291CG1861548[N], 124[C], 3[F], 8[O], 3[S],
LYS291NZ2631518[O], 3[F], 72[N], 166[C], 3[S],
LYS291CE2551518[O], 3[F], 164[C], 66[N], 3[S],
LYS291CD1971548[N], 135[C], 3[F], 8[O], 3[S],
PHE295CD12152[C],
PHE295CE12152[C],
GLN298CG3153[C],
GLN298NE2311527[C], 1[N], 1[O], 2[F],
GLN298CD20152[F], 1[N], 17[C],
GLN298OE125151[N], 21[C], 3[F],
ASP299CG1151[O],
ASP299OD26155[C], 1[O],
PHE303CG26151[F], 2[O], 22[C], 1[N],
PHE303CE256153[O], 4[F], 48[C], 1[N],
PHE303CE127153[O], 1[F], 1[N], 22[C],
PHE303CD120151[F], 1[O], 18[C],
PHE303CZ50151[N], 43[C], 3[F], 3[O],
PHE303CD2451539[C], 1[N], 3[F], 2[O],
PRO308CG103151[S], 9[O], 4[F], 74[C], 14[N],
PRO308CD100159[O], 4[F], 71[C], 14[N], 1[S],
TRP310CD1231518[C], 1[O], 4[F],
TRP310NE1461539[C], 1[N], 2[O], 4[F],
TRP310CD255155[O], 4[F], 45[C], 1[N],
TRP310CE2651553[C], 1[N], 4[F], 7[O],
TRP310CG251521[C], 1[O], 3[F],
TRP310CZ279151[S], 8[N], 58[C], 8[O], 4[F],
TRP310CZ3105153[S], 4[F], 9[O], 68[C], 21[N],
TRP310CE367154[F], 6[O], 6[N], 50[C], 1[S],
LYS315CD9151[P], 5[O], 3[C],
LYS315CE9151[P], 5[O], 1[N], 2[C],
LYS315CG5153[O], 1[P], 1[C],
LYS315NZ17152[N], 8[C], 1[P], 6[O],
Total = 147



Download csv file of statistical distribution of contacts