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: ASN_A_5(2DQN) / Model_6(2DQN/A) = [3.7] Download8294.8131.79MTDLHRLSIRELAKGLSQAKFSSRELTEHYLKRIAKIDPQVKSYVTVTPEQALCEADAADAALKAGNATALTGIPLAHKDIFCTKGIKTTAGSKMLDNFISPYDATVVEKTKAAGLVTLGKVNMDEFAMGSTSESSYVGATSNPWALDHVPGGSSGGSAAAVAADLAPFATGTDTGGSIRQPASFCGLTGLKPTYGRVSRFGIIAYASSLDQAGPMARSAEDCAYLMNVIAGHDAKDSTSVKKEVDDYVANLNNTSVKGLRIGIPKQYFNVAGLDAEVKARVEESLKKLEEMGAKLVEIDLNMTEAYVPTYYLIAPAEASSNLSRYDGVRYGYRCENPADLMDLYKRSRSEGFGPEVQRRILIGTYALSAGYYDAYYVKAQKVRRLIQQDFLKAFENVDVIAAPAAPTTAYKIGASLDPVEMYLGDIYTIAVNLAGLPAINAPVGFDKDNLPVGLQLIGNYWSESQLLSIVHQYQQNTDWHTKRAAIAEENA
Complex: GLN_A_5(2F2A) / Model_10(2F2A/A) = [3.3] Download6639.0824.37MTDLHRLSIRELAKGLSQAKFSSRELTEHYLKRIAKIDPQVKSYVTVTPEQALCEADAADAALKAGNATALTGIPLAHKDIFCTKGIKTTAGSKMLDNFISPYDATVVEKTKAAGLVTLGKVNMDEFAMGSTSESSYVGATSNPWALDHVPGGSSGGSAAAVAADLAPFATGTDTGGSIRQPASFCGLTGLKPTYGRVSRFGIIAYASSLDQAGPMARSAEDCAYLMNVIAGHDAKDSTSVKKEVDDYVANLNNTSVKGLRIGIPKQYFNVAGLDAEVKARVEESLKKLEEMGAKLVEIDLNMTEAYVPTYYLIAPAEASSNLSRYDGVRYGYRCENPADLMDLYKRSRSEGFGPEVQRRILIGTYALSAGYYDAYYVKAQKVRRLIQQDFLKAFENVDVIAAPAAPTTAYKIGASLDPVEMYLGDIYTIAVNLAGLPAINAPVGFDKDNLPVGLQLIGNYWSESQLLSIVHQYQQNTDWHTKRAAIAEENA
Consensus
[pKd Mean = 3.50]		-7466
(s=827)		28
(s=3)		MTDLHRLSIRELAKGLSQAKFSSRELTEHYLKRIAKIDPQVKSYVTVTPEQALCEADAADAALKAGNATALTGIPLAHKDIFCTKGIKTTAGSKMLDNFISPYDATVVEKTKAAGLVTLGKVNMDEFAMGSTSESSYVGATSNPWALDHVPGGSSGGSAAAVAADLAPFATGTDTGGSIRQPASFCGLTGLKPTYGRVSRFGIIAYASSLDQAGPMARSAEDCAYLMNVIAGHDAKDSTSVKKEVDDYVANLNNTSVKGLRIGIPKQYFNVAGLDAEVKARVEESLKKLEEMGAKLVEIDLNMTEAYVPTYYLIAPAEASSNLSRYDGVRYGYRCENPADLMDLYKRSRSEGFGPEVQRRILIGTYALSAGYYDAYYVKAQKVRRLIQQDFLKAFENVDVIAAPAAPTTAYKIGASLDPVEMYLGDIYTIAVNLAGLPAINAPVGFDKDNLPVGLQLIGNYWSESQLLSIVHQYQQNTDWHTKRAAIAEENA



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]
LYS79CE522[N], 1[O], 2[C],
LYS79CD221[N], 1[C],
LYS79NZ822[O], 2[N], 4[C],
ILE81CD1121[N],
ILE81CG2121[N],
ILE81CG1121[N],
MET124CE121[N],
ASP125O121[N],
ASP125CB1125[C], 4[N], 2[O],
ASP125OD21428[C], 4[N], 2[O],
ASP125CG1022[O], 4[N], 4[C],
ASP125N121[N],
ASP125CA321[O], 2[N],
ASP125OD1321[N], 2[O],
GLU126O222[O],
PHE127O1225[O], 2[N], 5[C],
PHE127C722[C], 2[N], 3[O],
ALA128C1929[C], 6[O], 4[N],
ALA128CB1722[N], 6[O], 9[C],
ALA128O1924[N], 6[O], 9[C],
ALA128CA1823[N], 6[O], 9[C],
ALA128N1222[N], 5[O], 5[C],
MET129CA1929[C], 6[O], 4[N],
MET129N1926[O], 4[N], 9[C],
MET129SD624[O], 2[C],
MET129O1724[O], 4[N], 9[C],
MET129C1929[C], 6[O], 4[N],
MET129CE624[O], 2[C],
MET129CG1729[C], 5[O], 3[N],
MET129CB1824[N], 5[O], 9[C],
GLY130O1926[O], 4[N], 9[C],
GLY130C1929[C], 6[O], 4[N],
GLY130CA1929[C], 6[O], 4[N],
GLY130N1924[N], 6[O], 9[C],
SER131N1824[N], 5[O], 9[C],
SER131O522[O], 3[N],
SER131OG1924[N], 6[O], 9[C],
SER131C1025[C], 3[N], 2[O],
SER131CB1629[C], 3[N], 4[O],
SER131CA1824[N], 5[O], 9[C],
THR132N523[N], 2[O],
SER135OG222[O],
GLY152C121[N],
GLY153CA1724[N], 4[O], 9[C],
GLY153C1929[C], 4[N], 6[O],
GLY153O1926[O], 4[N], 9[C],
GLY153N723[C], 1[O], 3[N],
SER154O422[N], 2[C],
SER154OG1924[N], 6[O], 9[C],
SER154N1929[C], 4[N], 6[O],
SER154CB1929[C], 6[O], 4[N],
SER154CA1929[C], 4[N], 6[O],
SER154C1023[N], 3[O], 4[C],
SER155N723[C], 2[O], 2[N],
SER155CA521[O], 2[N], 2[C],
SER155CB421[C], 2[N], 1[O],
SER155OG722[O], 2[N], 3[C],
THR173OG1422[O], 1[N], 1[C],
THR173N321[O], 1[N], 1[C],
THR173CB422[O], 1[N], 1[C],
THR173CA421[C], 2[O], 1[N],
THR173O925[C], 2[N], 2[O],
THR173C822[O], 2[N], 4[C],
THR173CG2723[C], 2[N], 2[O],
ASP174N824[C], 2[O], 2[N],
ASP174C1022[N], 2[O], 6[C],
ASP174O922[N], 2[O], 5[C],
ASP174OD2925[C], 2[N], 2[O],
ASP174CB925[C], 2[O], 2[N],
ASP174CA925[C], 2[O], 2[N],
ASP174CG925[C], 2[O], 2[N],
ASP174OD11122[O], 2[N], 7[C],
THR175CB1926[O], 4[N], 9[C],
THR175C1929[C], 4[N], 6[O],
THR175N1729[C], 4[N], 4[O],
THR175OG11629[C], 2[N], 5[O],
THR175O1724[N], 4[O], 9[C],
THR175CA1825[O], 4[N], 9[C],
THR175CG21924[N], 6[O], 9[C],
GLY176O1929[C], 4[N], 6[O],
GLY176CA1929[C], 6[O], 4[N],
GLY176C1924[N], 6[O], 9[C],
GLY176N1929[C], 6[O], 4[N],
GLY177C1729[C], 4[N], 4[O],
GLY177O1322[O], 4[N], 7[C],
GLY177CA1724[O], 4[N], 9[C],
GLY177N1926[O], 4[N], 9[C],
SER178CB1924[N], 6[O], 9[C],
SER178OG1926[O], 4[N], 9[C],
SER178O1022[O], 3[N], 5[C],
SER178C1222[O], 4[N], 6[C],
SER178N1929[C], 6[O], 4[N],
SER178CA1929[C], 6[O], 4[N],
ILE179CD1121[O],
ILE179C221[O], 1[C],
ILE179CG1421[N], 2[O], 1[C],
ILE179N922[O], 2[N], 5[C],
ILE179CB321[C], 2[O],
ILE179CA622[O], 2[N], 2[C],
ARG180N322[O], 1[C],
ARG180CZ222[O],
ARG180NE121[O],
GLN181N121[O],
GLN181CG222[N],
GLN181CD724[C], 3[N],
GLN181OE1623[C], 3[N],
GLN181CB1126[C], 3[N], 2[O],
GLN181NE2724[C], 3[N],
PRO182CD823[C], 3[N], 2[O],
PRO182CG723[C], 2[N], 2[O],
LYS192CG121[O],
LYS192CD121[O],
TYR206CE21926[O], 4[N], 9[C],
TYR206CE11725[O], 3[N], 9[C],
TYR206CB1022[N], 4[O], 4[C],
TYR206CD11427[C], 5[O], 2[N],
TYR206CZ1823[N], 6[O], 9[C],
TYR206CA121[N],
TYR206CD21829[C], 3[N], 6[O],
TYR206CG1626[O], 2[N], 8[C],
ALA207CB121[O],
ALA207N121[N],
LEU210CB222[O],
LEU210O222[O],
LEU210C222[O],
ASP211OD2121[N],
ASP211OD1622[O], 1[N], 3[C],
ASP211CB221[N], 1[O],
ASP211CA322[O], 1[N],
ASP211N222[O],
ASP211C121[O],
ASP211CG321[N], 2[O],
GLN212O221[N], 1[O],
GLN212N121[O],
TYR311CZ1929[C], 6[O], 4[N],
TYR311CE11926[O], 4[N], 9[C],
TYR311CE21924[N], 6[O], 9[C],
TYR311CB624[C], 2[O],
TYR311O422[O], 2[C],
TYR311CG1525[O], 2[N], 8[C],
TYR311CD21826[O], 3[N], 9[C],
TYR311C422[O], 2[C],
TYR311CD11629[C], 3[N], 4[O],
TYR312C222[O],
TYR312O222[O],
TYR312CG1226[C], 2[N], 4[O],
TYR312CE11628[C], 5[O], 3[N],
TYR312CA624[C], 2[O],
TYR312CZ1625[O], 3[N], 8[C],
TYR312CD11226[C], 2[N], 4[O],
TYR312N422[O], 2[C],
TYR312CE21623[N], 5[O], 8[C],
TYR312CD21324[O], 2[N], 7[C],
TYR312CB622[O], 4[C],
ALA315N222[O],
ALA315CA222[O],
ALA315CB1325[O], 8[C],
ALA315C222[O],
ALA315O222[O],
PRO316CB121[O],
PRO316CA222[O],
PRO316CG222[O],
PRO316N222[O],
PRO316CD222[O],
GLU356CG624[O], 2[C],
GLU356OE2723[C], 4[O],
GLU356OE1222[O],
GLU356CB222[O],
GLU356CD624[O], 2[C],
ARG360CG624[O], 2[C],
ARG360CD824[C], 4[O],
ARG360NE1326[C], 3[N], 4[O],
ARG360CZ1824[N], 5[O], 9[C],
ARG360CB524[O], 1[C],
MET422CG824[C], 2[N], 2[O],
MET422O824[C], 2[N], 2[O],
MET422CA222[N],
MET422SD722[N], 2[O], 3[C],
MET422C824[C], 2[O], 2[N],
MET422CB422[O], 2[N],
TYR423CA1122[N], 4[O], 5[C],
TYR423CB1024[C], 4[O], 2[N],
TYR423C724[C], 2[N], 1[O],
TYR423CG1024[C], 2[N], 4[O],
TYR423N822[O], 2[N], 4[C],
TYR423CE2523[O], 2[C],
TYR423CE11022[N], 4[O], 4[C],
TYR423CD2422[C], 2[O],
TYR423O1022[N], 2[O], 6[C],
TYR423CZ924[C], 4[O], 1[N],
TYR423CD11122[N], 4[O], 5[C],
LEU424N222[N],
GLY425N222[N],
GLY425CA222[N],
GLY425O422[N], 2[C],
GLY425C422[C], 2[N],
ASP426OD11829[C], 3[N], 6[O],
ASP426N722[N], 5[C],
ASP426CG1829[C], 3[N], 6[O],
ASP426OD21924[N], 6[O], 9[C],
ASP426O624[C], 2[N],
ASP426CB1826[O], 3[N], 9[C],
ASP426C622[N], 4[C],
ASP426CA1022[N], 8[C],
ILE427N121[N],
THR429C322[C], 1[O],
THR429OG11227[C], 3[N], 2[O],
THR429O121[O],
THR429CB1026[C], 2[N], 2[O],
THR429CG2222[O],
ILE430CD11422[N], 4[O], 8[C],
ILE430CB621[N], 1[O], 4[C],
ILE430CG11528[C], 3[N], 4[O],
ILE430CA722[O], 5[C],
ILE430CG2323[C],
ILE430N821[N], 2[O], 5[C],
ASN433CB222[O],
ASN433OD1725[C], 2[O],
ASN433CG822[O], 1[N], 5[C],
ASN433ND2825[C], 2[O], 1[N],
Total = 220



Download csv file of statistical distribution of contacts