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 :C3_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 C3_S1
Complex: ANP_B_12(3FHT) / Model_41(3FHT/B) = [9.9] Download926.7413.39MNNFDIFRFKPFINEALTAKGFKQPTEVQERLIPLIAKGKNIIGQSQTGTGKTHTFLLPLFEKINAEKEEVQVVITAPSRELAAQIYEAATQIAKFSTPEIRVSNFVGGTDKQRQLNRLHHQQPQVVVGTPGRILDMMNEQALKIHTAFAFVVDEADMTLDMGFLNEVDQIASRLPEKLQFLVFSATIPEKLRPFLRKYMENPIIEEIKPKAVISEDIENWLISTKGKDENQMIYQLLTIGHPYLAIVFANTKQHVDEIADYLKNQGLKVAKIHGDITPRERKRVMRQVQNLEYQYVVATDLAARGIDIEGVSHVINAEIPEDLDFFIHRVGRTGRNGLKGTAITLYSPNDEQAIDAIEKLGVSFEPKEIKNGEIVKTYDRNRRAKREKSKDVLDPTLIGLVKKKKKKIKPGYKKKIDWAIAEKNKKERKIERRQQSRTARKNKKNSHK
Complex: ADP_A_3(3PEW) / Model_18(3PEW/A) = [8.4] Download1046.178.87MNNFDIFRFKPFINEALTAKGFKQPTEVQERLIPLIAKGKNIIGQSQTGTGKTHTFLLPLFEKINAEKEEVQVVITAPSRELAAQIYEAATQIAKFSTPEIRVSNFVGGTDKQRQLNRLHHQQPQVVVGTPGRILDMMNEQALKIHTAFAFVVDEADMTLDMGFLNEVDQIASRLPEKLQFLVFSATIPEKLRPFLRKYMENPIIEEIKPKAVISEDIENWLISTKGKDENQMIYQLLTIGHPYLAIVFANTKQHVDEIADYLKNQGLKVAKIHGDITPRERKRVMRQVQNLEYQYVVATDLAARGIDIEGVSHVINAEIPEDLDFFIHRVGRTGRNGLKGTAITLYSPNDEQAIDAIEKLGVSFEPKEIKNGEIVKTYDRNRRAKREKSKDVLDPTLIGLVKKKKKKIKPGYKKKIDWAIAEKNKKERKIERRQQSRTARKNKKNSHK
Complex: AMP_A_2(2I4I) / Model_33(2I4I/A) = [3.8] Download1263.1328.95MNNFDIFRFKPFINEALTAKGFKQPTEVQERLIPLIAKGKNIIGQSQTGTGKTHTFLLPLFEKINAEKEEVQVVITAPSRELAAQIYEAATQIAKFSTPEIRVSNFVGGTDKQRQLNRLHHQQPQVVVGTPGRILDMMNEQALKIHTAFAFVVDEADMTLDMGFLNEVDQIASRLPEKLQFLVFSATIPEKLRPFLRKYMENPIIEEIKPKAVISEDIENWLISTKGKDENQMIYQLLTIGHPYLAIVFANTKQHVDEIADYLKNQGLKVAKIHGDITPRERKRVMRQVQNLEYQYVVATDLAARGIDIEGVSHVINAEIPEDLDFFIHRVGRTGRNGLKGTAITLYSPNDEQAIDAIEKLGVSFEPKEIKNGEIVKTYDRNRRAKREKSKDVLDPTLIGLVKKKKKKIKPGYKKKIDWAIAEKNKKERKIERRQQSRTARKNKKNSHK
Consensus
[pKd Mean = 7.37]		-1078
(s=139)		17
(s=8)		MNNFDIFRFKPFINEALTAKGFKQPTEVQERLIPLIAKGKNIIGQSQTGTGKTHTFLLPLFEKINAEKEEVQVVITAPSRELAAQIYEAATQIAKFSTPEIRVSNFVGGTDKQRQLNRLHHQQPQVVVGTPGRILDMMNEQALKIHTAFAFVVDEADMTLDMGFLNEVDQIASRLPEKLQFLVFSATIPEKLRPFLRKYMENPIIEEIKPKAVISEDIENWLISTKGKDENQMIYQLLTIGHPYLAIVFANTKQHVDEIADYLKNQGLKVAKIHGDITPRERKRVMRQVQNLEYQYVVATDLAARGIDIEGVSHVINAEIPEDLDFFIHRVGRTGRNGLKGTAITLYSPNDEQAIDAIEKLGVSFEPKEIKNGEIVKTYDRNRRAKREKSKDVLDPTLIGLVKKKKKKIKPGYKKKIDWAIAEKNKKERKIERRQQSRTARKNKKNSHK



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]
PHE4CD1833[C], 5[N],
PHE4CG634[N], 2[C],
PHE4CZ20310[N], 10[C],
PHE4CE11136[N], 5[C],
PHE4CD21236[N], 6[C],
PHE4CE218310[C], 8[N],
PHE7CE2131[N],
LEU17CD1332[N], 1[C],
LEU17CG331[C], 2[N],
LEU17CD21035[C], 5[N],
LYS20CG232[O],
LYS20CD332[O], 1[C],
LYS20CE1739[C], 4[O], 4[N],
LYS20NZ1433[N], 4[O], 7[C],
PHE22CE260315[N], 15[O], 29[C], 1[P],
PHE22CD248325[C], 8[O], 15[N],
PHE22CD149315[N], 8[O], 26[C],
PHE22CG45324[C], 6[O], 15[N],
PHE22CE157329[C], 13[O], 15[N],
PHE22CZ6333[P], 30[C], 15[O], 15[N],
LYS23CD533[N], 2[C],
LYS23CG1135[N], 6[C],
GLN24CD632[C], 4[N],
GLN24NE2632[C], 4[N],
GLN24CG1336[N], 7[C],
PRO25CD933[C], 6[N],
PRO25CG633[C], 3[N],
THR26OG142316[C], 15[N], 10[O], 1[P],
THR26CG254328[C], 10[O], 15[N], 1[P],
VAL28CG11432[P], 2[N], 8[O], 2[C],
VAL28CG2232[O],
GLN29OE136318[C], 3[O], 15[N],
GLN29NE26735[P], 30[C], 17[O], 15[N],
GLN29CG27312[C], 3[O], 12[N],
GLN29CD46315[N], 10[O], 21[C],
ILE33CD1131[N],
SER46OG1032[P], 7[O], 1[N],
GLN47CG131[O],
THR48OG12332[C], 15[O], 1[N], 5[P],
THR48CG22634[C], 16[O], 1[N], 5[P],
THR50OG13236[P], 5[C], 19[O], 2[N],
THR50CG22033[P], 1[N], 13[O], 3[C],
LYS52CD23316[O], 1[N], 6[P],
LYS52CE2736[P], 1[N], 19[O], 1[C],
LYS52NZ2831[C], 20[O], 1[N], 6[P],
LYS52CG2831[N], 20[O], 1[C], 6[P],
THR53CG23435[P], 19[O], 10[C],
THR53OG15432[N], 28[O], 18[C], 6[P],
HIS54CE15032[P], 13[O], 12[N], 23[C],
HIS54ND157324[C], 13[N], 17[O], 3[P],
HIS54CG5532[P], 13[O], 14[N], 26[C],
HIS54CD24431[P], 14[N], 9[O], 20[C],
HIS54NE246311[O], 12[N], 22[C], 1[P],
THR55OG11531[P], 3[C], 5[N], 6[O],
PHE56CE1434[O],
PHE56CE215310[O], 5[P],
PHE56CD2932[P], 7[O],
PHE56CG232[O],
PHE56CZ933[P], 6[O],
LEU57CD1333[O],
LEU57CG232[O],
LEU58CD1532[N], 3[C],
LEU58CG232[N],
LEU82CG333[O],
LEU82CD2635[O], 1[P],
LEU82CD11333[P], 10[O],
GLN85CG634[O], 2[P],
GLN85CD1833[P], 3[C], 12[O],
GLN85OE11333[C], 7[O], 3[P],
GLN85NE22835[P], 6[C], 16[O], 1[N],
ILE86CG1939[O],
ILE86CD1333[O],
GLU88OE2131[O],
GLN92OE1834[C], 3[O], 1[N],
GLN92CG131[O],
GLN92CD231[O], 1[C],
GLN92NE2432[C], 2[O],
ASP154OD12031[N], 15[O], 4[P],
ASP154OD22436[P], 17[O], 1[N],
ASP154CG1533[P], 1[N], 11[O],
GLU155CD1031[N], 6[O], 3[P],
GLU155CG631[P], 5[O],
GLU155OE11033[P], 1[N], 6[O],
GLU155OE21934[P], 14[O], 1[N],
PHE184CE2333[O],
PHE184CD2632[P], 4[O],
PHE184CG434[O],
SER185OG331[P], 2[O],
ARG305CD131[O],
ARG305CG433[O], 1[P],
ASP308CG3935[P], 12[C], 19[O], 3[N],
ASP308OD141312[C], 21[O], 3[N], 5[P],
ASP308OD236314[C], 15[O], 3[N], 4[P],
GLU310CD18310[C], 6[O], 2[N],
GLU310OE223313[C], 6[O], 4[N],
GLU310OE11034[O], 6[C],
GLU310CG16310[C], 6[O],
ASP325CG332[N], 1[C],
ASP325OD2432[C], 2[N],
ASP325OD1331[C], 2[N],
ILE328CG2131[O],
HIS329CE11331[P], 4[C], 4[N], 4[O],
HIS329NE21133[O], 3[N], 4[C], 1[P],
HIS329CD2731[P], 1[C], 2[N], 3[O],
HIS329CG431[P], 3[O],
HIS329ND1831[P], 2[N], 4[O], 1[C],
ARG333NE631[P], 1[N], 4[O],
ARG333CZ1431[N], 10[O], 3[P],
ARG333CD431[P], 3[O],
ARG333CG131[O],
ARG336CD3035[P], 1[N], 18[O], 6[C],
ARG336NE3631[N], 20[O], 10[C], 5[P],
ARG336CZ3631[N], 20[O], 10[C], 5[P],
ARG336CG2735[P], 8[C], 13[O], 1[N],
ASN337OD140310[N], 10[O], 20[C],
ASN337ND23931[P], 20[C], 10[N], 8[O],
ASN337CG42310[N], 10[O], 20[C], 2[P],
LEU339CD1231[C], 1[O],
Total = 118



Download csv file of statistical distribution of contacts