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: ANP_A_3(1VPE) / Model_62(1VPE/A) = [8.5] Download883.8214.87MAKLTVKDVDLKGKKVLVRVDFNVPLKDGVITNDNRITAALPTIKYIIEQGGRAILFSHLGRVKEESDKAGKSLAPVAADLAAKLGQDVVFPGVTRGAELEAAINALEDGQVLLVENTRYEDVDGKKESKNDPELGKYWASLGDGIFVNDAFGTAHRAHASNVGISANVEKAVAGFLLENEIAYIQEAVETPERPFVAILGGSKVSDKIGVIENLLEKADKVLIGGGMTYTFYKAQGIEIGNSLVEEDKLDVAKALLEKANGKLILPVDSKEANAFAGYTEVRDTEGEAVSEGFLGLDIGPKSIAKFDEALTGAKTVVWNGPMGVFENPDFQAGTIGVMDAIVKQPGVKSIIGGGDSAAAAINLGRADKFSWISTGGGASMELLEGKVLPGLAALTEK
Complex: ACP_A_4(2X14) / Model_44(2X14/A) = [8.5] Download686.508.91MAKLTVKDVDLKGKKVLVRVDFNVPLKDGVITNDNRITAALPTIKYIIEQGGRAILFSHLGRVKEESDKAGKSLAPVAADLAAKLGQDVVFPGVTRGAELEAAINALEDGQVLLVENTRYEDVDGKKESKNDPELGKYWASLGDGIFVNDAFGTAHRAHASNVGISANVEKAVAGFLLENEIAYIQEAVETPERPFVAILGGSKVSDKIGVIENLLEKADKVLIGGGMTYTFYKAQGIEIGNSLVEEDKLDVAKALLEKANGKLILPVDSKEANAFAGYTEVRDTEGEAVSEGFLGLDIGPKSIAKFDEALTGAKTVVWNGPMGVFENPDFQAGTIGVMDAIVKQPGVKSIIGGGDSAAAAINLGRADKFSWISTGGGASMELLEGKVLPGLAALTEK
Complex: ADP_A_4(2WZB) / Model_67(2WZB/A) = [8.4] Download754.2315.88MAKLTVKDVDLKGKKVLVRVDFNVPLKDGVITNDNRITAALPTIKYIIEQGGRAILFSHLGRVKEESDKAGKSLAPVAADLAAKLGQDVVFPGVTRGAELEAAINALEDGQVLLVENTRYEDVDGKKESKNDPELGKYWASLGDGIFVNDAFGTAHRAHASNVGISANVEKAVAGFLLENEIAYIQEAVETPERPFVAILGGSKVSDKIGVIENLLEKADKVLIGGGMTYTFYKAQGIEIGNSLVEEDKLDVAKALLEKANGKLILPVDSKEANAFAGYTEVRDTEGEAVSEGFLGLDIGPKSIAKFDEALTGAKTVVWNGPMGVFENPDFQAGTIGVMDAIVKQPGVKSIIGGGDSAAAAINLGRADKFSWISTGGGASMELLEGKVLPGLAALTEK
Complex: MAP_A_2(1QPG) / Model_7(1QPG/A) = [8.1] Download1204.6518.06MAKLTVKDVDLKGKKVLVRVDFNVPLKDGVITNDNRITAALPTIKYIIEQGGRAILFSHLGRVKEESDKAGKSLAPVAADLAAKLGQDVVFPGVTRGAELEAAINALEDGQVLLVENTRYEDVDGKKESKNDPELGKYWASLGDGIFVNDAFGTAHRAHASNVGISANVEKAVAGFLLENEIAYIQEAVETPERPFVAILGGSKVSDKIGVIENLLEKADKVLIGGGMTYTFYKAQGIEIGNSLVEEDKLDVAKALLEKANGKLILPVDSKEANAFAGYTEVRDTEGEAVSEGFLGLDIGPKSIAKFDEALTGAKTVVWNGPMGVFENPDFQAGTIGVMDAIVKQPGVKSIIGGGDSAAAAINLGRADKFSWISTGGGASMELLEGKVLPGLAALTEK
Complex: LA8_A_4(2YBE) / Model_35(2YBE/A) = [7.7] Download875.6211.70MAKLTVKDVDLKGKKVLVRVDFNVPLKDGVITNDNRITAALPTIKYIIEQGGRAILFSHLGRVKEESDKAGKSLAPVAADLAAKLGQDVVFPGVTRGAELEAAINALEDGQVLLVENTRYEDVDGKKESKNDPELGKYWASLGDGIFVNDAFGTAHRAHASNVGISANVEKAVAGFLLENEIAYIQEAVETPERPFVAILGGSKVSDKIGVIENLLEKADKVLIGGGMTYTFYKAQGIEIGNSLVEEDKLDVAKALLEKANGKLILPVDSKEANAFAGYTEVRDTEGEAVSEGFLGLDIGPKSIAKFDEALTGAKTVVWNGPMGVFENPDFQAGTIGVMDAIVKQPGVKSIIGGGDSAAAAINLGRADKFSWISTGGGASMELLEGKVLPGLAALTEK
Consensus
[pKd Mean = 8.24]		-880
(s=178)		13
(s=3)		MAKLTVKDVDLKGKKVLVRVDFNVPLKDGVITNDNRITAALPTIKYIIEQGGRAILFSHLGRVKEESDKAGKSLAPVAADLAAKLGQDVVFPGVTRGAELEAAINALEDGQVLLVENTRYEDVDGKKESKNDPELGKYWASLGDGIFVNDAFGTAHRAHASNVGISANVEKAVAGFLLENEIAYIQEAVETPERPFVAILGGSKVSDKIGVIENLLEKADKVLIGGGMTYTFYKAQGIEIGNSLVEEDKLDVAKALLEKANGKLILPVDSKEANAFAGYTEVRDTEGEAVSEGFLGLDIGPKSIAKFDEALTGAKTVVWNGPMGVFENPDFQAGTIGVMDAIVKQPGVKSIIGGGDSAAAAINLGRADKFSWISTGGGASMELLEGKVLPGLAALTEK



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]
ASP21OD1292[O],
ASP21CG292[O],
ASP21OD2594[O], 1[P],
ASN23CG896[O], 1[F], 1[P],
ASN23ND21993[P], 1[C], 13[O], 2[F],
ASN23OD1191[O],
PRO25CG393[O],
PRO25CD393[O],
ARG36CD393[O],
ARG36NE1691[F], 12[O], 3[P],
ARG36CZ2692[C], 6[P], 17[O], 1[F],
HIS59NE2292[O],
HIS59CE1191[O],
HIS59CD2191[O],
ARG62NE595[O],
ARG62CZ998[O], 1[P],
PHE152CD2191[O],
PHE152CE2191[O],
THR154CG2391[P], 2[O],
HIS156CG491[P], 3[O],
HIS156CD2792[P], 5[O],
HIS156CE11391[C], 2[P], 9[O], 1[F],
HIS156NE21398[O], 1[F], 2[P], 2[C],
HIS156ND1694[O], 2[P],
ARG157CZ191[O],
ARG157NE191[O],
LEU200CD1494[O],
LEU200CD2393[O],
SER203OG22491[F], 77[O], 39[N], 90[C], 17[P],
LYS204CG77910[C], 14[P], 1[N], 52[O],
LYS204NZ56938[O], 1[N], 11[P], 6[C],
LYS204CE59939[O], 1[N], 7[C], 12[P],
LYS204CD68945[O], 1[N], 13[P], 9[C],
VAL205CG226911[N], 10[C], 5[O],
ASP207OD24199[P], 3[C], 1[F], 28[O],
ASP207OD12896[P], 2[C], 1[F], 19[O],
ASP207CG31924[O], 1[F], 6[P],
LYS208CG6891[F], 45[O], 2[N], 19[P], 1[C],
LYS208CD9492[N], 20[P], 7[C], 2[F], 63[O],
LYS208NZ13294[N], 21[P], 28[C], 2[F], 76[O],
LYS208CE115972[O], 2[F], 21[P], 17[C], 2[N],
VAL211CG2292[O],
VAL211CG1191[O],
MET228SD13911[O], 2[P],
MET228CG1493[N], 1[P], 2[C], 8[O],
MET228CE1293[P], 9[O],
THR229CG2898[N],
THR229OG13791[O], 14[C], 22[N],
TYR230CE16991[O], 36[C], 32[N],
TYR230CD163931[C], 31[N], 1[O],
TYR230CZ50924[N], 26[C],
TYR230CG34916[C], 18[N],
TYR230CD230919[N], 11[C],
TYR230CE230919[N], 11[C],
SER243OG29916[N], 13[C],
LEU244CD29599[O], 1[P], 47[C], 38[N],
LEU244CD1121937[N], 1[P], 62[C], 21[O],
LEU244CG97948[C], 41[N], 8[O],
GLU246CD191[O],
GLU246OE2391[P], 2[O],
SER270OG593[N], 2[C],
PHE276CD255926[C], 25[N], 4[O],
PHE276CZ133937[N], 73[C], 23[O],
PHE276CE1109956[C], 35[N], 18[O],
PHE276CG4192[O], 21[C], 18[N],
PHE276CD16696[O], 29[N], 31[C],
PHE276CE2102954[C], 30[N], 18[O],
LEU295CD236917[C], 19[N],
LEU295CG27915[N], 12[C],
LEU295CD11698[C], 8[N],
LEU297CD162929[N], 33[C],
LEU297CG8291[O], 41[C], 40[N],
LEU297CD210197[O], 43[N], 51[C],
ASP298CG1991[O], 4[C], 14[N],
ASP298OD21391[O], 5[N], 7[C],
ASP298OD127916[C], 11[N],
ILE299CD1292[N],
ILE299CG1292[N],
ILE299CG21291[O], 11[N],
TRP319CE2494[O],
TRP319CG494[O],
TRP319CD11099[O], 1[P],
TRP319NE11192[P], 9[O],
TRP319CZ2292[O],
TRP319CD2191[O],
ASN320OD18592[N], 18[P], 5[C], 2[F], 57[O],
ASN320ND270949[O], 3[C], 15[P], 2[N],
ASN320CG7992[N], 3[C], 17[P], 1[F], 55[O],
PRO322CG203975[C], 1[M], 17[P], 26[N], 82[O], 2[F],
PRO322CD211920[P], 73[C], 1[M], 24[N], 91[O], 2[F],
MET323SD895[N], 3[C],
MET323CE1396[C], 6[N], 1[O],
MET323CG1295[C], 6[N], 1[O],
VAL325CG1152928[O], 81[C], 43[N],
VAL325CG2155943[N], 84[C], 28[O],
PHE326CE17695[N], 6[P], 34[C], 31[O],
PHE326CD167934[C], 6[N], 27[O],
PHE326CZ86942[C], 3[P], 1[N], 40[O],
PHE326CE29697[N], 43[C], 5[P], 41[O],
PHE326CD285944[C], 1[P], 9[N], 31[O],
PHE326CG83925[O], 48[C], 10[N],
GLU327OE2152957[O], 68[C], 7[P], 20[N],
GLU327CD127968[C], 22[N], 37[O],
GLU327OE1148983[C], 28[N], 37[O],
GLU327CG7595[N], 43[C], 27[O],
ASN328ND22097[C], 1[N], 12[O],
ASN328CG797[O],
ASN328OD1191[O],
PHE331CZ191[N],
PHE331CD1191[N],
PHE331CE1191[N],
PHE331CG692[C], 4[N],
PHE331CD2691[O], 3[N], 2[C],
PHE331CE2391[C], 2[N],
THR335OG143913[N], 22[C], 8[O],
THR335CG2492[C], 2[O],
ILE352CG2791[P], 6[O],
ASP356OD114493[N], 46[C], 16[P], 1[F], 77[O],
ASP356OD215698[N], 1[M], 46[C], 19[P], 82[O],
ASP356CG15597[N], 1[M], 46[C], 19[P], 1[F], 81[O],
SER357OG9392[N], 18[C], 16[P], 1[F], 55[O],
SER374OG191[O],
THR375CG2292[O],
THR375OG1292[O],
SER380OG1893[C], 4[P], 9[O], 2[F],
MET381CG3797[P], 5[C], 1[N], 22[O], 2[F],
MET381CE45929[O], 2[F], 10[P], 3[C], 1[N],
MET381SD5895[C], 11[P], 1[N], 39[O], 2[F],
Total = 128



Download csv file of statistical distribution of contacts