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 :C1_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 C1_S1
Complex: JZL_A_3(3JZI) / Model_6(3JZI/A) = [7.8] Download901.9813.07MFSKVLIANRGEIAVRIIRACRELGIQTVAIYSEADAEALHTQLADEAICIGPAKAVDSYLNVQEVLSAAIVTKAEAIHPGFGFLSENSRFASMCEECNITFIGPKSATIDAMGNKINARQLMQEANVPVIPGSTGVLSTVEEALEIADRIGYPVMLKAAAGGGGKGIRKVQSKEELPQHFSSAQQEAAAAFGNDDMYLEKIIYPARHIEVQILGDRFGHVIHLGERDCSLQRNNQKVLEESPSVVISQTKREALGDAAVRAAKAVNYENAGTIEFLMDEEGDFYFMEMNTRIQVEHPVTEMVTGIDLVKKQVEIAAGEPLNVCQEEVVFQGHAIECRINAENPAFHFAPSPGKIQNLLLPAGGMGLRVDSAVYPGYTIPPYYDSMIAKIIVHGNTRFEALMKMQRALSEFITEGIITNAEFQMDLISHPAVIAGDYSTAFLQEEFLPNWTPETEIGGA
Complex: ADP_A_4(3RUP) / Model_47(3RUP/A) = [7.8] Download685.118.43MFSKVLIANRGEIAVRIIRACRELGIQTVAIYSEADAEALHTQLADEAICIGPAKAVDSYLNVQEVLSAAIVTKAEAIHPGFGFLSENSRFASMCEECNITFIGPKSATIDAMGNKINARQLMQEANVPVIPGSTGVLSTVEEALEIADRIGYPVMLKAAAGGGGKGIRKVQSKEELPQHFSSAQQEAAAAFGNDDMYLEKIIYPARHIEVQILGDRFGHVIHLGERDCSLQRNNQKVLEESPSVVISQTKREALGDAAVRAAKAVNYENAGTIEFLMDEEGDFYFMEMNTRIQVEHPVTEMVTGIDLVKKQVEIAAGEPLNVCQEEVVFQGHAIECRINAENPAFHFAPSPGKIQNLLLPAGGMGLRVDSAVYPGYTIPPYYDSMIAKIIVHGNTRFEALMKMQRALSEFITEGIITNAEFQMDLISHPAVIAGDYSTAFLQEEFLPNWTPETEIGGA
Complex: AP2_A_2(2VQD) / Model_3(2VQD/A) = [7.0] Download825.646.19MFSKVLIANRGEIAVRIIRACRELGIQTVAIYSEADAEALHTQLADEAICIGPAKAVDSYLNVQEVLSAAIVTKAEAIHPGFGFLSENSRFASMCEECNITFIGPKSATIDAMGNKINARQLMQEANVPVIPGSTGVLSTVEEALEIADRIGYPVMLKAAAGGGGKGIRKVQSKEELPQHFSSAQQEAAAAFGNDDMYLEKIIYPARHIEVQILGDRFGHVIHLGERDCSLQRNNQKVLEESPSVVISQTKREALGDAAVRAAKAVNYENAGTIEFLMDEEGDFYFMEMNTRIQVEHPVTEMVTGIDLVKKQVEIAAGEPLNVCQEEVVFQGHAIECRINAENPAFHFAPSPGKIQNLLLPAGGMGLRVDSAVYPGYTIPPYYDSMIAKIIVHGNTRFEALMKMQRALSEFITEGIITNAEFQMDLISHPAVIAGDYSTAFLQEEFLPNWTPETEIGGA
Complex: ANP_B_7(2VPQ) / Model_117(2VPQ/B) = [6.3] Download1095.8112.33MFSKVLIANRGEIAVRIIRACRELGIQTVAIYSEADAEALHTQLADEAICIGPAKAVDSYLNVQEVLSAAIVTKAEAIHPGFGFLSENSRFASMCEECNITFIGPKSATIDAMGNKINARQLMQEANVPVIPGSTGVLSTVEEALEIADRIGYPVMLKAAAGGGGKGIRKVQSKEELPQHFSSAQQEAAAAFGNDDMYLEKIIYPARHIEVQILGDRFGHVIHLGERDCSLQRNNQKVLEESPSVVISQTKREALGDAAVRAAKAVNYENAGTIEFLMDEEGDFYFMEMNTRIQVEHPVTEMVTGIDLVKKQVEIAAGEPLNVCQEEVVFQGHAIECRINAENPAFHFAPSPGKIQNLLLPAGGMGLRVDSAVYPGYTIPPYYDSMIAKIIVHGNTRFEALMKMQRALSEFITEGIITNAEFQMDLISHPAVIAGDYSTAFLQEEFLPNWTPETEIGGA
Complex: ACP_A_3(4MV8) / Model_52(4MV8/A) = [4.7] Download1297.7911.75MFSKVLIANRGEIAVRIIRACRELGIQTVAIYSEADAEALHTQLADEAICIGPAKAVDSYLNVQEVLSAAIVTKAEAIHPGFGFLSENSRFASMCEECNITFIGPKSATIDAMGNKINARQLMQEANVPVIPGSTGVLSTVEEALEIADRIGYPVMLKAAAGGGGKGIRKVQSKEELPQHFSSAQQEAAAAFGNDDMYLEKIIYPARHIEVQILGDRFGHVIHLGERDCSLQRNNQKVLEESPSVVISQTKREALGDAAVRAAKAVNYENAGTIEFLMDEEGDFYFMEMNTRIQVEHPVTEMVTGIDLVKKQVEIAAGEPLNVCQEEVVFQGHAIECRINAENPAFHFAPSPGKIQNLLLPAGGMGLRVDSAVYPGYTIPPYYDSMIAKIIVHGNTRFEALMKMQRALSEFITEGIITNAEFQMDLISHPAVIAGDYSTAFLQEEFLPNWTPETEIGGA
Consensus
[pKd Mean = 6.72]		-961
(s=214)		10
(s=2)		MFSKVLIANRGEIAVRIIRACRELGIQTVAIYSEADAEALHTQLADEAICIGPAKAVDSYLNVQEVLSAAIVTKAEAIHPGFGFLSENSRFASMCEECNITFIGPKSATIDAMGNKINARQLMQEANVPVIPGSTGVLSTVEEALEIADRIGYPVMLKAAAGGGGKGIRKVQSKEELPQHFSSAQQEAAAAFGNDDMYLEKIIYPARHIEVQILGDRFGHVIHLGERDCSLQRNNQKVLEESPSVVISQTKREALGDAAVRAAKAVNYENAGTIEFLMDEEGDFYFMEMNTRIQVEHPVTEMVTGIDLVKKQVEIAAGEPLNVCQEEVVFQGHAIECRINAENPAFHFAPSPGKIQNLLLPAGGMGLRVDSAVYPGYTIPPYYDSMIAKIIVHGNTRFEALMKMQRALSEFITEGIITNAEFQMDLISHPAVIAGDYSTAFLQEEFLPNWTPETEIGGA



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]
GLU87OE218713[O], 4[P], 1[N],
GLU87CG471[P], 3[O],
GLU87CD1674[P], 11[O], 1[N],
GLU87OE11871[N], 5[P], 12[O],
LYS116NZ12772[F], 55[O], 15[P], 14[N], 40[C],
LYS116CG5078[C], 2[N], 1[F], 28[O], 10[P],
LYS116CD73738[O], 13[P], 1[F], 15[C], 5[N],
LYS116CE9672[F], 15[P], 46[O], 8[N], 24[C],
ARG120CZ171[N],
ARG120CG271[C],
ARG120CD372[C],
ARG120NE171[C],
ILE131CD191735[N], 49[C], 5[O], 1[P],
ILE131CG253730[C], 22[N], 1[O],
ILE131CG16771[O], 36[C], 30[N],
PRO132CD777[N],
MET156CE126735[N], 70[C], 1[P], 20[O],
MET156SD14474[P], 27[O], 78[C], 35[N],
MET156CG98711[O], 34[N], 53[C],
LYS158CE170744[O], 10[P], 36[N], 79[C],
LYS158NZ178736[N], 80[C], 50[O], 10[P], 1[F],
LYS158CG122755[C], 34[N], 25[O], 7[P],
LYS158CD148735[N], 73[C], 9[P], 30[O],
LYS166CE574[O], 1[C],
LYS166CD1472[P], 7[O], 5[C],
LYS166CG1872[P], 11[O], 5[C],
LYS166NZ472[O], 2[C],
ILE168CG1124733[O], 10[P], 19[N], 62[C],
ILE168CD1158725[N], 72[C], 49[O], 12[P],
ILE168CG2149776[C], 26[N], 10[P], 36[O],
LYS170CD4471[O], 17[N], 26[C],
LYS170CG5172[O], 19[N], 30[C],
LYS170NZ60718[N], 32[C], 10[O],
LYS170CE81726[N], 44[C], 11[O],
PHE192CE21172[P], 7[O], 2[C],
PHE192CD1272[C],
PHE192CZ1779[O], 4[P], 4[C],
PHE192CE1975[O], 4[C],
PHE192CD2272[O],
TYR198CG473[C],
TYR198CE12375[O], 10[C], 7[N],
TYR198CD1473[C],
TYR198CZ4079[O], 3[P], 11[N], 16[C],
TYR198CD2775[C], 1[O],
TYR198CE22379[N], 8[C], 5[O],
GLU200CG6373[O], 25[N], 35[C],
GLU200OE2106753[C], 34[N], 4[P], 14[O],
GLU200OE181740[C], 29[N], 9[O], 2[P],
GLU200CD8676[O], 2[P], 43[C], 34[N],
LYS201CG2471[O], 13[N], 10[C],
LYS201CD877[N], 1[O],
ILE202CG16571[O], 31[N], 33[C],
ILE202CG271732[N], 38[C], 1[O],
ILE202CD147726[C], 20[N], 1[O],
ILE203CG247719[N], 27[C], 1[O],
ILE203CG163731[C], 31[N], 1[O],
ILE203CD161733[C], 27[N], 1[O],
TYR204CD1472[N], 2[C],
TYR204CG472[C], 2[N],
TYR204CE1472[C], 2[N],
TYR204CZ271[C], 1[N],
TYR204CD2171[C],
PRO205CD574[C], 1[N],
HIS208CE199742[C], 6[N], 2[F], 9[P], 40[O],
HIS208CG57731[C], 2[N], 2[F], 20[O], 2[P],
HIS208NE26773[N], 31[C], 27[O], 4[P], 2[F],
HIS208CD24971[P], 17[O], 1[F], 26[C], 4[N],
HIS208ND110072[F], 7[P], 37[O], 7[N], 47[C],
GLU210OE21271[C], 1[P], 8[O], 2[F],
GLU210CD373[O],
GLU210OE1474[O],
CYS229SG171[O],
SER230OG574[O], 1[C],
GLN232CG46717[O], 1[N], 28[C],
GLN232NE286746[C], 7[N], 2[F], 2[P], 29[O],
GLN232CD7576[N], 43[C], 1[F], 1[P], 24[O],
GLN232OE19779[N], 48[C], 35[O], 4[P], 1[F],
ASN235ND2130712[P], 46[O], 2[F], 58[C], 12[N],
ASN235OD1142764[C], 19[N], 1[F], 47[O], 11[P],
ASN235CG139714[N], 60[C], 12[P], 51[O], 2[F],
GLN236CG871[N], 1[C], 1[P], 5[O],
GLN236CD871[N], 1[C], 6[O],
GLN236NE2373[O],
GLN236OE11671[F], 7[O], 4[P], 1[N], 3[C],
LYS237NZ5277[P], 27[O], 2[F], 15[C], 1[N],
LYS237CD3771[N], 14[C], 2[F], 3[P], 17[O],
LYS237CE5371[N], 18[C], 2[F], 26[O], 6[P],
LYS237CG40716[C], 3[P], 20[O], 1[F],
THR273CG2171[O],
GLU275CD96715[P], 49[O], 2[F], 28[C], 2[N],
GLU275OE112976[N], 43[C], 16[P], 61[O], 2[F],
GLU275CG59712[C], 2[N], 2[F], 10[P], 33[O],
GLU275OE288722[C], 2[N], 2[F], 47[O], 15[P],
LEU277CD2147776[C], 35[N], 3[P], 33[O],
LEU277CD113671[P], 29[O], 35[N], 71[C],
LEU277CG135728[O], 2[P], 35[N], 70[C],
GLU280OE21171[O], 5[C], 5[N],
GLU280CD573[N], 2[C],
GLU280OE1674[N], 2[C],
TYR285CD2373[N],
TYR285CG671[C], 5[N],
TYR285CD1373[N],
PHE286CE2171[C],
PHE286CE1171[C],
PHE286CD1171[C],
PHE286CZ171[C],
MET287CG176777[C], 30[N], 2[F], 13[P], 53[O],
MET287SD19472[F], 57[O], 15[P], 36[N], 83[C],
MET287CE18572[F], 59[O], 14[P], 32[N], 77[C],
GLU288CD11174[N], 34[C], 54[O], 16[P], 2[F],
GLU288OE111474[N], 34[C], 16[P], 57[O], 2[F],
GLU288OE2111755[O], 16[P], 2[F], 33[C], 4[N],
GLU288CG104730[C], 5[N], 2[F], 16[P], 50[O],
ASN290ND25072[C], 1[N], 34[O], 11[P], 2[F],
ASN290OD15374[C], 1[N], 12[P], 34[O], 2[F],
ASN290CG4172[F], 9[P], 27[O], 1[N], 2[C],
ARG292NE1571[N], 11[O], 3[P],
ARG292CZ2371[C], 1[N], 4[P], 15[O], 2[F],
ARG292CD671[P], 5[O],
ARG292CG272[O],
GLN294CG775[O], 2[P],
GLN294NE21571[C], 1[N], 2[P], 11[O],
GLN294CD972[P], 7[O],
GLN294OE11071[C], 1[P], 6[O], 2[F],
GLU296OE1272[O],
GLU296OE2373[O],
GLU296CD171[O],
THR439OG190718[O], 20[N], 52[C],
THR439CG281715[O], 50[C], 16[N],
GLN443NE2472[C], 2[O],
Total = 130



Download csv file of statistical distribution of contacts