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 :C4_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 C4_S1
Complex: TRP_A_3(2G36) / Model_26(2G36/A) = [3.4] Download542.2337.05MSNVDQRPIILTGDRPTGQLHLGHFVGSLRSRVGLQDSHHQHLLLADAQALTDNADNPDKVRRNILEVALDYLAVGIDPTKTTICVQSCLPALNELTMLYLNFVTVARLERNPTIKSEIQMRGFERDIPAGFLCYPVAQAADITAFKATVVPVGEDQIPMIEQTNEIVRRVNRQIGQDLLPECKALLSNMARLPGFDGKAKMSKSLGNTIVLNASDKDIKKAVNAMYTDPNHLRIEDPGQVEGNIVFTYLDAFDPNKEEVEELKAHYRRGGLGDGTVKKRLEGVLKELITPMRERREELAKDPDYIMDVLRQGTDKCRIITQQTLDEVKDGLGLFKF
Complex: HRP_E_5(1YIA) / Model_3(1YIA/B) = [3.1] Download728.9630.48MSNVDQRPIILTGDRPTGQLHLGHFVGSLRSRVGLQDSHHQHLLLADAQALTDNADNPDKVRRNILEVALDYLAVGIDPTKTTICVQSCLPALNELTMLYLNFVTVARLERNPTIKSEIQMRGFERDIPAGFLCYPVAQAADITAFKATVVPVGEDQIPMIEQTNEIVRRVNRQIGQDLLPECKALLSNMARLPGFDGKAKMSKSLGNTIVLNASDKDIKKAVNAMYTDPNHLRIEDPGQVEGNIVFTYLDAFDPNKEEVEELKAHYRRGGLGDGTVKKRLEGVLKELITPMRERREELAKDPDYIMDVLRQGTDKCRIITQQTLDEVKDGLGLFKF
Consensus
[pKd Mean = 3.25]		-635
(s=93)		33
(s=3)		MSNVDQRPIILTGDRPTGQLHLGHFVGSLRSRVGLQDSHHQHLLLADAQALTDNADNPDKVRRNILEVALDYLAVGIDPTKTTICVQSCLPALNELTMLYLNFVTVARLERNPTIKSEIQMRGFERDIPAGFLCYPVAQAADITAFKATVVPVGEDQIPMIEQTNEIVRRVNRQIGQDLLPECKALLSNMARLPGFDGKAKMSKSLGNTIVLNASDKDIKKAVNAMYTDPNHLRIEDPGQVEGNIVFTYLDAFDPNKEEVEELKAHYRRGGLGDGTVKKRLEGVLKELITPMRERREELAKDPDYIMDVLRQGTDKCRIITQQTLDEVKDGLGLFKF



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]
ILE10CG2121[O],
LEU11CG1722[N], 14[C], 1[O],
LEU11CD21821[O], 15[C], 2[N],
LEU11CD11421[O], 11[C], 2[N],
THR12CG21221[O], 10[C], 1[N],
THR12OG12023[O], 15[C], 2[N],
ASP14OD11824[O], 12[C], 2[N],
ASP14CG1925[O], 12[C], 2[N],
ASP14OD21324[O], 8[C], 1[N],
ARG15CD19213[C], 2[N], 4[O],
ARG15CZ1124[O], 6[C], 1[N],
ARG15NE1428[C], 2[N], 4[O],
ARG15CG2024[O], 13[C], 3[N],
PRO16CD322[C], 1[N],
HIS24CD2321[O], 1[N], 1[C],
HIS24NE2221[O], 1[C],
SER28OG523[O], 1[C], 1[N],
ARG32NE423[C], 1[O],
ARG32CD121[O],
ARG32CG121[O],
ARG32CZ621[N], 4[C], 1[O],
LEU43CD1222[C],
LEU43CD2221[C], 1[O],
LEU44CD115213[C], 2[N],
LEU44CG18216[C], 2[N],
LEU44CD21923[N], 16[C],
GLN49NE22224[N], 16[C], 2[O],
GLN49OE12524[O], 4[N], 17[C],
GLN49CD2524[N], 17[C], 4[O],
GLN49CG2424[O], 16[C], 4[N],
THR52OG1121[N],
THR52CG2121[N],
ASP53CG121[N],
ASP53OD2121[N],
GLN87CG523[C], 2[N],
GLN87NE213210[C], 3[N],
GLN87OE11229[C], 3[N],
GLN87CD12210[C], 2[N],
LEU93CD1221[C], 1[N],
LEU93CD2121[N],
GLU118CD121[O],
GLU118OE1322[O], 1[C],
GLU118OE2421[N], 1[C], 2[O],
TYR135CE11429[C], 2[N], 3[O],
TYR135CD217212[C], 2[N], 3[O],
TYR135CD11123[O], 6[C], 2[N],
TYR135CE21924[O], 3[N], 12[C],
TYR135CZ1922[N], 13[C], 4[O],
TYR135CG1028[C], 1[N], 1[O],
GLN139CG29220[C], 4[N], 5[O],
GLN139CD2925[O], 20[C], 4[N],
GLN139NE22924[N], 20[C], 5[O],
GLN139OE12925[O], 4[N], 20[C],
ASP142CG19217[C], 2[N],
ASP142OD118215[C], 3[N],
ASP142OD21923[N], 15[C], 1[O],
ILE143CD11721[O], 2[N], 14[C],
ILE143CG2625[C], 1[N],
ILE143CG117214[C], 2[N], 1[O],
PHE146CD1121[C],
VAL151CG21129[C], 1[N], 1[O],
VAL151CG118213[C], 3[N], 2[O],
PRO152CG524[C], 1[O],
PRO152CD721[O], 6[C],
VAL153CG11027[C], 3[O],
VAL153CG2322[C], 1[O],
GLN157NE22924[N], 20[C], 5[O],
GLN157CG2525[O], 18[C], 2[N],
GLN157CD2924[N], 20[C], 5[O],
GLN157OE12925[O], 20[C], 4[N],
MET160SD1128[C], 1[N], 2[O],
MET160CG17213[C], 3[N], 1[O],
MET160CE1522[N], 10[C], 3[O],
ILE161CG1721[O], 6[C],
ILE161CD11422[O], 10[C], 2[N],
THR164OG1421[N], 3[C],
ARG192CZ121[O],
ARG192NE121[O],
Total = 78



Download csv file of statistical distribution of contacts