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 :C7_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 C7_S1
Complex: TPP_A_5(1PVD) / Model_93(1PVD/A) = [7.3] Download910.4913.04MFIEIGELLNLRLKQMGIQHLFGVPGDFNLSYLEQVEADPQLEFIGNCNELNAAYAADGYARINGFSALATTYGVGDLSAINGIAGAYAENVPLIHISGIPPLHAVQKGTLIHHTLVDGNYDNIMNCMKEFTVAQTRLTPANAASEIDRVLRQCFLERRPVHIQLPGDITHVKIEVSERPLDLSYPAVEPELLQSVVSKLCDIIENAQSPALLIDNEASVFGVTSLLNDLSQKCSIPFAGMNTAKNIMDEGSPRYIGTYVGGASQPHVKNIIEQSDCLIGIGARFTDVGSAVFTHQIEIKNYIEIKSYGLNIFGQDFPGIEIGQLLVELNKKVAPRKSSIPLLEKQPQKVIEAPAQQKLSQDVLWNYISGFLKEDDVIIGEVGTSNSALSGIKLPATAKYIAQPLWGSIGYTLPALLGSLLAAPERRQILFIGDGSFQLTVQELSTIIRHGLKPIIFLLNNGGYTIERLIMGENAAYNDVQNWKYSEIPAVFNGKKGHTTYCG
Complex: TDP_A_5(1PYD) / Model_6(1PYD/A) = [7.2] Download1156.3612.52MFIEIGELLNLRLKQMGIQHLFGVPGDFNLSYLEQVEADPQLEFIGNCNELNAAYAADGYARINGFSALATTYGVGDLSAINGIAGAYAENVPLIHISGIPPLHAVQKGTLIHHTLVDGNYDNIMNCMKEFTVAQTRLTPANAASEIDRVLRQCFLERRPVHIQLPGDITHVKIEVSERPLDLSYPAVEPELLQSVVSKLCDIIENAQSPALLIDNEASVFGVTSLLNDLSQKCSIPFAGMNTAKNIMDEGSPRYIGTYVGGASQPHVKNIIEQSDCLIGIGARFTDVGSAVFTHQIEIKNYIEIKSYGLNIFGQDFPGIEIGQLLVELNKKVAPRKSSIPLLEKQPQKVIEAPAQQKLSQDVLWNYISGFLKEDDVIIGEVGTSNSALSGIKLPATAKYIAQPLWGSIGYTLPALLGSLLAAPERRQILFIGDGSFQLTVQELSTIIRHGLKPIIFLLNNGGYTIERLIMGENAAYNDVQNWKYSEIPAVFNGKKGHTTYCG
Consensus
[pKd Mean = 7.25]		-1033
(s=122)		12
(s=0)		MFIEIGELLNLRLKQMGIQHLFGVPGDFNLSYLEQVEADPQLEFIGNCNELNAAYAADGYARINGFSALATTYGVGDLSAINGIAGAYAENVPLIHISGIPPLHAVQKGTLIHHTLVDGNYDNIMNCMKEFTVAQTRLTPANAASEIDRVLRQCFLERRPVHIQLPGDITHVKIEVSERPLDLSYPAVEPELLQSVVSKLCDIIENAQSPALLIDNEASVFGVTSLLNDLSQKCSIPFAGMNTAKNIMDEGSPRYIGTYVGGASQPHVKNIIEQSDCLIGIGARFTDVGSAVFTHQIEIKNYIEIKSYGLNIFGQDFPGIEIGQLLVELNKKVAPRKSSIPLLEKQPQKVIEAPAQQKLSQDVLWNYISGFLKEDDVIIGEVGTSNSALSGIKLPATAKYIAQPLWGSIGYTLPALLGSLLAAPERRQILFIGDGSFQLTVQELSTIIRHGLKPIIFLLNNGGYTIERLIMGENAAYNDVQNWKYSEIPAVFNGKKGHTTYCG



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]
LEU51CG222[C],
LEU51CD1222[C],
LEU51CD2222[C],
TYR55CE1222[C],
TYR55CE2222[C],
TYR55CZ622[N], 4[C],
ASN82OD11125[N], 6[C],
ASN82CG824[C], 4[N],
ASN82ND2824[C], 4[N],
GLN361CG222[O],
GLN361CD826[O], 2[P],
GLN361OE1725[O], 2[P],
GLN361NE21028[O], 2[P],
TRP365CZ2222[O],
GLU381OE21124[N], 2[O], 2[S], 3[C],
GLU381CD1122[P], 1[N], 2[C], 6[O],
GLU381OE1222[O],
GLU381CG2224[P], 10[O], 6[C], 2[S],
VAL382CG13426[N], 18[C], 2[S], 8[O],
VAL382CG21124[C], 2[S], 5[N],
THR384OG11924[P], 1[C], 14[O],
THR384CG220214[O], 2[C], 4[P],
SER385OG15211[O], 4[P],
SER387OG121[O],
GLN403OE1521[C], 4[N],
TRP406NE1522[N], 3[C],
TRP406CE2121[C],
TRP406CD1422[N], 2[C],
SER408OG1626[N], 10[C],
ILE409CD14422[S], 24[C], 8[O], 2[P], 8[N],
ILE409CG14428[N], 2[P], 8[O], 24[C], 2[S],
ILE409CG24528[N], 2[P], 9[O], 2[S], 24[C],
ILE432CG11028[O], 2[P],
ILE432CG2222[O],
ILE432CD1422[O], 2[P],
ASP434CG20214[O], 2[C], 4[P],
ASP434OD21624[P], 12[O],
ASP434OD12224[C], 14[O], 4[P],
SER436OG4326[N], 4[P], 14[O], 2[S], 17[C],
GLN438CG121[O],
LEU439CD226218[C], 8[N],
LEU439CD13126[N], 1[P], 4[O], 20[C],
LEU439CG18214[C], 4[N],
THR440CG2121[C],
LEU458CG121[O],
LEU458CD1624[O], 2[P],
LEU459CD2321[P], 2[O],
LEU459CG1624[P], 12[O],
LEU459CD114210[O], 4[P],
ASN461ND21924[P], 14[O], 1[C],
ASN461CG18214[O], 4[P],
ASN461OD120214[O], 2[C], 4[P],
TYR464CG3524[P], 2[N], 15[C], 2[S], 12[O],
TYR464CE13822[N], 4[P], 12[O], 18[C], 2[S],
TYR464CZ3422[S], 18[C], 8[O], 2[P], 4[N],
TYR464CD23723[P], 2[N], 2[S], 18[C], 12[O],
TYR464CE23327[O], 18[C], 2[S], 4[N], 2[P],
TYR464CD136214[C], 2[S], 14[O], 4[P], 2[N],
THR465OG11724[P], 12[O], 1[C],
THR465CG21924[P], 1[C], 14[O],
ILE466CG12724[P], 1[N], 10[C], 2[S], 10[O],
ILE466CG238214[O], 2[S], 14[C], 4[N], 4[P],
ILE466CD12622[N], 3[P], 10[O], 2[S], 9[C],
GLU467CD3022[O], 2[S], 20[C], 6[N],
GLU467CG2924[N], 4[O], 2[S], 19[C],
GLU467OE23428[N], 2[O], 2[S], 22[C],
GLU467OE129220[C], 2[S], 2[O], 5[N],
ARG468CZ222[O],
ARG468CG424[O],
ARG468NE222[O],
ARG468CD421[P], 3[O],
LEU469CD2725[O], 2[P],
LEU469CG222[O],
ILE470CD1221[S], 1[C],
ASN478OD11822[N], 2[S], 12[C], 2[O],
ASN478CG828[C],
VAL480CG2522[P], 3[O],
VAL480CG11222[P], 4[O], 6[C],
Total = 78



Download csv file of statistical distribution of contacts