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 :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: API_F_14(3TD4) / Model_51(3TD4/F) = [3.1] Download610.5711.25MKLSRIALATMLVAAPLAAANAGVTVTPLLLGYTFQDSQHNNGGKDGNLTNSPELQDDLFVGAALGIELTPWLGFEAEYNQVKGDVDGASAGAEYKQKQINGNFYVTSDLITKNYDSKIKPYVLLGAGHYKYDFDGVNRGTRGNSEEGTLGNAGVGAFWRLNDALSLRTEARATYNADEEFWNYTALAGLNVVLGGHLKPAAPVVVEVAPVEPTPVAPQPQELTEDLNMELRVFFDTNKSNIKDQYKPEIAKVAEKLSEYPNATARIEGHTDNTGPRKLNERLSLARANSVKSALVNEYNVDASRLSTQGFAWDQPIADNKTKEGRAMNRRVFATITGSRTVVVQPGQEAAAPAAAQ
Complex: GLY_E_13(3TD3) / Model_59(3TD3/E) = [3.1] Download1114.0513.11MKLSRIALATMLVAAPLAAANAGVTVTPLLLGYTFQDSQHNNGGKDGNLTNSPELQDDLFVGAALGIELTPWLGFEAEYNQVKGDVDGASAGAEYKQKQINGNFYVTSDLITKNYDSKIKPYVLLGAGHYKYDFDGVNRGTRGNSEEGTLGNAGVGAFWRLNDALSLRTEARATYNADEEFWNYTALAGLNVVLGGHLKPAAPVVVEVAPVEPTPVAPQPQELTEDLNMELRVFFDTNKSNIKDQYKPEIAKVAEKLSEYPNATARIEGHTDNTGPRKLNERLSLARANSVKSALVNEYNVDASRLSTQGFAWDQPIADNKTKEGRAMNRRVFATITGSRTVVVQPGQEAAAPAAAQ
Consensus
[pKd Mean = 3.10]		-862
(s=251)		12
(s=0)		MKLSRIALATMLVAAPLAAANAGVTVTPLLLGYTFQDSQHNNGGKDGNLTNSPELQDDLFVGAALGIELTPWLGFEAEYNQVKGDVDGASAGAEYKQKQINGNFYVTSDLITKNYDSKIKPYVLLGAGHYKYDFDGVNRGTRGNSEEGTLGNAGVGAFWRLNDALSLRTEARATYNADEEFWNYTALAGLNVVLGGHLKPAAPVVVEVAPVEPTPVAPQPQELTEDLNMELRVFFDTNKSNIKDQYKPEIAKVAEKLSEYPNATARIEGHTDNTGPRKLNERLSLARANSVKSALVNEYNVDASRLSTQGFAWDQPIADNKTKEGRAMNRRVFATITGSRTVVVQPGQEAAAPAAAQ



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]
PHE235CD1121[O],
PHE235C624[O], 2[C],
PHE235N222[O],
PHE235O824[O], 4[C],
PHE235CB624[O], 2[C],
PHE235CG521[C], 4[O],
PHE235CA624[O], 2[C],
PHE235CD2222[O],
ASP236CB222[O],
ASP236O1327[C], 2[N], 4[O],
ASP236N622[C], 4[O],
ASP236C1222[N], 6[C], 4[O],
ASP236CA723[C], 4[O],
THR237N1524[O], 8[C], 3[N],
THR237CA1629[C], 3[N], 4[O],
THR237OG11725[O], 9[C], 3[N],
THR237CG21826[O], 3[N], 9[C],
THR237C1829[C], 3[N], 6[O],
THR237O1629[C], 3[N], 4[O],
THR237CB1826[O], 9[C], 3[N],
ASN238OD11829[C], 3[N], 6[O],
ASN238CA1826[O], 3[N], 9[C],
ASN238C1422[N], 8[C], 4[O],
ASN238N1826[O], 9[C], 3[N],
ASN238CG1826[O], 9[C], 3[N],
ASN238ND21725[O], 3[N], 9[C],
ASN238O1328[C], 1[N], 4[O],
ASN238CB1823[N], 9[C], 6[O],
LYS239CB422[O], 2[C],
LYS239CG222[O],
LYS239CD222[O],
LYS239N1324[O], 7[C], 2[N],
LYS239C723[C], 4[O],
LYS239CA924[O], 5[C],
LYS239O924[O], 5[C],
SER240CA222[O],
SER240N222[O],
HIS270C1022[N], 4[C], 4[O],
HIS270O1022[N], 4[C], 4[O],
HIS270N222[O],
HIS270CA322[O], 1[C],
HIS270CB222[O],
THR271OG11224[O], 2[N], 6[C],
THR271CB1327[C], 2[N], 4[O],
THR271CG21222[N], 6[C], 4[O],
THR271C1224[O], 2[N], 6[C],
THR271N1125[C], 2[N], 4[O],
THR271CA1224[O], 6[C], 2[N],
THR271O1125[C], 2[N], 4[O],
ASP272O1427[C], 2[N], 5[O],
ASP272N1324[O], 7[C], 2[N],
ASP272CB1324[O], 7[C], 2[N],
ASP272OD11826[O], 3[N], 9[C],
ASP272C1324[O], 7[C], 2[N],
ASP272CG1725[O], 3[N], 9[C],
ASP272OD21723[N], 9[C], 5[O],
ASP272CA1222[N], 6[C], 4[O],
ASN273N1226[C], 2[N], 4[O],
ASN273O1025[C], 2[N], 3[O],
ASN273CA1022[O], 2[N], 6[C],
ASN273CB322[N], 1[O],
ASN273CG222[N],
ASN273OD1322[N], 1[C],
ASN273C1323[O], 2[N], 8[C],
THR274C1826[O], 9[C], 3[N],
THR274CG21829[C], 3[N], 6[O],
THR274CA1826[O], 3[N], 9[C],
THR274N1823[N], 9[C], 6[O],
THR274CB1826[O], 9[C], 3[N],
THR274OG11826[O], 9[C], 3[N],
THR274O1826[O], 3[N], 9[C],
GLY275CA1624[O], 9[C], 3[N],
GLY275N1629[C], 3[N], 4[O],
GLY275O1222[O], 3[N], 7[C],
GLY275C1227[C], 3[N], 2[O],
PRO276N1222[O], 3[N], 7[C],
PRO276CA522[C], 1[N], 2[O],
PRO276CD1223[N], 7[C], 2[O],
PRO276CG722[O], 5[C],
PRO276CB422[O], 2[C],
PRO276C622[O], 2[N], 2[C],
PRO276O1022[N], 6[C], 2[O],
LEU279CB1122[O], 2[N], 7[C],
LEU279C922[N], 5[C], 2[O],
LEU279CD21823[N], 9[C], 6[O],
LEU279CG1222[N], 8[C], 2[O],
LEU279O1026[C], 2[N], 2[O],
LEU279CD11222[O], 7[C], 3[N],
LEU279CA421[O], 2[C], 1[N],
ASN280O925[C], 2[N], 2[O],
ASN280C922[N], 5[C], 2[O],
ASN280ND21829[C], 3[N], 6[O],
ASN280CB1422[N], 7[C], 5[O],
ASN280CA1224[O], 2[N], 6[C],
ASN280OD11826[O], 9[C], 3[N],
ASN280CG1729[C], 2[N], 6[O],
ASN280N1126[C], 2[N], 3[O],
GLU281N121[N],
LEU283CD11324[O], 2[N], 7[C],
LEU283C723[C], 4[O],
LEU283CG1324[O], 7[C], 2[N],
LEU283CA1125[C], 2[N], 4[O],
LEU283CB1324[O], 7[C], 2[N],
LEU283CD21625[O], 9[C], 2[N],
LEU283O622[C], 4[O],
LEU283N321[C], 2[O],
SER284CB222[O],
SER284N824[O], 2[C], 2[N],
SER284CA222[O],
ARG287CG622[C], 4[O],
ARG287CZ1222[N], 6[C], 4[O],
ARG287NE1124[O], 5[C], 2[N],
ARG287CD824[O], 4[C],
ALA312O422[O], 2[N],
ALA312CA422[O], 2[N],
ALA312C422[O], 2[N],
TRP313CZ3422[N], 2[C],
TRP313CB422[O], 2[N],
TRP313CG222[N],
TRP313N422[N], 2[O],
TRP313CE3822[N], 4[C], 2[O],
TRP313CA422[N], 2[O],
TRP313CD2222[N],
ASN320ND2422[N], 2[O],
ARG326C724[O], 3[C],
ARG326CD824[C], 2[N], 2[O],
ARG326CB1024[C], 2[N], 4[O],
ARG326CA422[O], 2[C],
ARG326O1024[O], 4[C], 2[N],
ARG326CG722[N], 3[C], 2[O],
ALA327N222[O],
ALA327O121[O],
ASN329CB422[O], 2[C],
ASN329N222[O],
ASN329O622[C], 4[O],
ASN329C622[C], 4[O],
ASN329CA222[O],
ARG330CB1124[O], 2[N], 5[C],
ARG330CA1024[O], 4[C], 2[N],
ARG330C624[O], 2[C],
ARG330CD1322[N], 7[C], 4[O],
ARG330NE1222[N], 6[C], 4[O],
ARG330CZ1224[O], 6[C], 2[N],
ARG330N1022[N], 4[C], 4[O],
ARG330O624[O], 2[C],
ARG330CG1327[C], 2[N], 4[O],
ARG331N622[C], 4[O],
Total = 147



Download csv file of statistical distribution of contacts