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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ANP_A_7(3OUU) / Model_120(3OUU/A) = [6.8] Download993.1812.35MFRKILIANRGEIAVRIIRAARELGIATVAVYSTADKEALHTLLADEAVCIGPGKATESYLNINAVLSAAVLTEAEAIHPGFGFLSENSKFATMCEEVGIKFIGPSGHVMDMMGDKINARAQMIKAGVPVIPGSDGEVHNSEEALIVAEKIGYPVMLKASAGGGGKGIRKVEKPDDLVSAFETASSEAKANYGNGAMYIERVIYPARHIEVQILGDEHGHVIHLGERDCSLQRNNQKVLEESPSIAIGKTLRHEIGAAAVRAAEFVGYENAGTIEFLLDEASRNFYFMEMNTRVQVEHPVTEFVSGVDIVKEQICIAAGQPLSVKQEDIVLRGHAIECRINAENPAFNFAPSPGKITNLYLPSGGVGLRVDSAVYPGYTIPPYYDSMIAKIIVHGENRFDALMKMQRALYELEIEGVQTNADFQLDLISDRNVIAGDYDTSFLMETFLPKYQEKE
Complex: ADP_A_8(3OUZ) / Model_121(3OUZ/A) = [6.4] Download800.6511.07MFRKILIANRGEIAVRIIRAARELGIATVAVYSTADKEALHTLLADEAVCIGPGKATESYLNINAVLSAAVLTEAEAIHPGFGFLSENSKFATMCEEVGIKFIGPSGHVMDMMGDKINARAQMIKAGVPVIPGSDGEVHNSEEALIVAEKIGYPVMLKASAGGGGKGIRKVEKPDDLVSAFETASSEAKANYGNGAMYIERVIYPARHIEVQILGDEHGHVIHLGERDCSLQRNNQKVLEESPSIAIGKTLRHEIGAAAVRAAEFVGYENAGTIEFLLDEASRNFYFMEMNTRVQVEHPVTEFVSGVDIVKEQICIAAGQPLSVKQEDIVLRGHAIECRINAENPAFNFAPSPGKITNLYLPSGGVGLRVDSAVYPGYTIPPYYDSMIAKIIVHGENRFDALMKMQRALYELEIEGVQTNADFQLDLISDRNVIAGDYDTSFLMETFLPKYQEKE
Complex: ATF_A_4(2VR1) / Model_12(2VR1/A) = [4.2] Download1181.4816.40MFRKILIANRGEIAVRIIRAARELGIATVAVYSTADKEALHTLLADEAVCIGPGKATESYLNINAVLSAAVLTEAEAIHPGFGFLSENSKFATMCEEVGIKFIGPSGHVMDMMGDKINARAQMIKAGVPVIPGSDGEVHNSEEALIVAEKIGYPVMLKASAGGGGKGIRKVEKPDDLVSAFETASSEAKANYGNGAMYIERVIYPARHIEVQILGDEHGHVIHLGERDCSLQRNNQKVLEESPSIAIGKTLRHEIGAAAVRAAEFVGYENAGTIEFLLDEASRNFYFMEMNTRVQVEHPVTEFVSGVDIVKEQICIAAGQPLSVKQEDIVLRGHAIECRINAENPAFNFAPSPGKITNLYLPSGGVGLRVDSAVYPGYTIPPYYDSMIAKIIVHGENRFDALMKMQRALYELEIEGVQTNADFQLDLISDRNVIAGDYDTSFLMETFLPKYQEKE
Consensus
[pKd Mean = 5.80]		-991
(s=155)		13
(s=2)		MFRKILIANRGEIAVRIIRAARELGIATVAVYSTADKEALHTLLADEAVCIGPGKATESYLNINAVLSAAVLTEAEAIHPGFGFLSENSKFATMCEEVGIKFIGPSGHVMDMMGDKINARAQMIKAGVPVIPGSDGEVHNSEEALIVAEKIGYPVMLKASAGGGGKGIRKVEKPDDLVSAFETASSEAKANYGNGAMYIERVIYPARHIEVQILGDEHGHVIHLGERDCSLQRNNQKVLEESPSIAIGKTLRHEIGAAAVRAAEFVGYENAGTIEFLLDEASRNFYFMEMNTRVQVEHPVTEFVSGVDIVKEQICIAAGQPLSVKQEDIVLRGHAIECRINAENPAFNFAPSPGKITNLYLPSGGVGLRVDSAVYPGYTIPPYYDSMIAKIIVHGENRFDALMKMQRALYELEIEGVQTNADFQLDLISDRNVIAGDYDTSFLMETFLPKYQEKE



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]
GLU87CD433[O], 1[P],
GLU87CG332[O], 1[P],
GLU87OE1333[O],
GLU87OE2431[P], 3[O],
LYS116CE4532[F], 4[N], 8[P], 8[C], 23[O],
LYS116NZ5637[P], 14[C], 26[O], 7[N], 2[F],
LYS116CD3431[F], 2[N], 7[P], 3[C], 21[O],
LYS116CG21314[O], 5[P], 1[F], 1[N],
ARG120NE232[N],
ARG120CZ333[N],
ILE131CG127315[C], 12[N],
ILE131CG21839[N], 9[C],
ILE131CD131316[C], 15[N],
PRO132CD232[N],
MET156CG43321[C], 7[O], 15[N],
MET156SD61330[C], 2[P], 14[O], 15[N],
MET156CE56315[N], 12[O], 29[C],
LYS158CD6235[P], 26[C], 16[O], 15[N],
LYS158NZ78326[O], 5[P], 30[C], 1[F], 16[N],
LYS158CG5134[P], 19[C], 13[O], 15[N],
LYS158CE73316[N], 30[C], 5[P], 22[O],
LYS166CE534[O], 1[C],
LYS166CD1538[O], 5[C], 2[P],
LYS166CG1439[O], 2[P], 3[C],
LYS166NZ432[C], 2[O],
ILE168CG15538[N], 20[O], 5[P], 22[C],
ILE168CD173312[N], 27[C], 6[P], 28[O],
ILE168CG258315[O], 4[P], 27[C], 12[N],
LYS170CE1638[C], 1[O], 7[N],
LYS170NZ1135[N], 5[C], 1[O],
LYS170CG1437[N], 7[C],
LYS170CD1236[N], 6[C],
TYR192CE2535[O],
TYR192CE1434[O],
TYR192CZ937[O], 2[P],
TYR198CE2634[O], 2[N],
TYR198CZ1635[N], 6[O], 3[C], 2[P],
TYR198CE1835[N], 3[O],
GLU200OE126312[N], 12[C], 2[O],
GLU200CG29313[N], 14[C], 2[O],
GLU200CD35315[N], 4[O], 15[C], 1[P],
GLU200OE24932[P], 22[C], 10[O], 15[N],
ARG201CD434[N],
ARG201CG1034[C], 6[N],
VAL202CG132317[C], 15[N],
VAL202CG228313[C], 15[N],
ILE203CG22139[N], 12[C],
ILE203CD129314[C], 15[N],
ILE203CG127315[N], 12[C],
TYR204CG131[C],
PRO205CD333[C],
HIS208CG34312[O], 2[P], 16[C], 2[N], 2[F],
HIS208NE246316[C], 6[P], 19[O], 2[F], 3[N],
HIS208CD246318[O], 17[C], 3[P], 1[F], 7[N],
HIS208ND132314[O], 14[C], 2[P], 2[F],
HIS208CE14331[N], 2[F], 4[P], 14[C], 22[O],
GLU210CD131[O],
GLU210OE1636[O],
GLU210OE2431[P], 1[O], 2[F],
SER230OG232[O],
GLN232CD3531[F], 3[N], 14[O], 17[C],
GLN232CG21313[C], 8[O],
GLN232OE147318[O], 2[P], 20[C], 1[F], 6[N],
GLN232NE240315[O], 2[P], 18[C], 3[N], 2[F],
ASN235OD162321[O], 26[C], 5[P], 1[F], 9[N],
ASN235ND26536[P], 25[C], 24[O], 2[F], 8[N],
ASN235CG6732[F], 8[N], 25[C], 6[P], 26[O],
GLN236OE127314[O], 5[C], 6[P], 1[F], 1[N],
GLN236CG834[O], 2[P], 2[C],
GLN236CD1531[N], 10[O], 2[P], 2[C],
GLN236NE21137[O], 1[C], 2[P], 1[N],
LYS237NZ2931[N], 2[F], 14[O], 5[P], 7[C],
LYS237CD1537[O], 2[P], 3[C], 1[N], 2[F],
LYS237CG2031[F], 1[N], 9[O], 7[C], 2[P],
LYS237CE2632[F], 1[N], 7[C], 4[P], 12[O],
THR273CG2131[O],
GLU275OE15832[F], 2[N], 31[O], 15[C], 8[P],
GLU275CD4731[N], 2[F], 10[C], 8[P], 26[O],
GLU275CG3132[F], 1[N], 17[O], 5[P], 6[C],
GLU275OE24539[C], 8[P], 25[O], 2[F], 1[N],
LEU277CD263330[C], 2[P], 16[O], 15[N],
LEU277CD163315[N], 16[O], 2[P], 30[C],
LEU277CG63316[O], 30[C], 2[P], 15[N],
TYR286CD2131[N],
TYR286CG131[N],
TYR286CD1131[N],
MET288SD7732[F], 16[N], 22[O], 30[C], 7[P],
MET288CE7932[F], 16[N], 25[O], 31[C], 5[P],
MET288CG72322[O], 29[C], 6[P], 2[F], 13[N],
GLU289CD4538[P], 8[C], 26[O], 1[N], 2[F],
GLU289OE24038[P], 4[C], 25[O], 2[F], 1[N],
GLU289OE15138[P], 12[C], 28[O], 1[N], 2[F],
GLU289CG4138[P], 5[C], 25[O], 1[N], 2[F],
ASN291ND225314[O], 1[C], 7[P], 2[F], 1[N],
ASN291CG2332[F], 1[N], 13[O], 1[C], 6[P],
ASN291OD13031[C], 7[P], 19[O], 2[F], 1[N],
ARG293CD333[O],
ARG293CZ1232[F], 7[O], 2[P], 1[C],
ARG293NE631[P], 5[O],
ARG293CG131[O],
GLN295CD534[O], 1[P],
GLN295OE1832[F], 4[O], 1[C], 1[P],
GLN295CG331[P], 2[O],
GLN295NE2937[O], 1[P], 1[N],
GLU297CD131[O],
GLU297OE1232[O],
GLU297OE2232[O],
THR440OG14339[N], 9[O], 25[C],
THR440CG240324[C], 10[O], 6[N],
SER441OG531[N], 3[C], 1[O],
Total = 110



Download csv file of statistical distribution of contacts