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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ADP_A_3(5A5F) / Model_4(5A5F/A) = [8.4] Download876.86-1.57MINCGAKMLIQRGGLKVVAGLGISGVSAVNFLHEQGYQVAVTDSRPTPPGHDQIPAGVKTSFGQLDQELLLQAEEIILSPGLAPQLPEIQAAIAKGISVVGDIQLLRRATDVPIVAITGSNAKSTVTTLIGLMAKDAGKKVAVGGNLGRPALDLLKDQPELLVLELSSFQLETTSHLNAEVAVVLNMSEDHLDRHGNMLGYHQAKHRIFQGAKKVVFNRDDALSRPLVPDTTPMQSFGLNAPDLNQYGVLRDADGTLWLARGLQRLIKSSDLYIQGMHNVANALACLALGEAIGLPMESMLETLKQFKGLEHRCEYVKTVHDVRYYNDSKGTNVGATLAAIDGLGAAIEVKKGKVALILGGQGKGQDFSPLRSSIEKYAKVVVLIGEDAPVIEQAIQGATKILHAATLKEAVELCQRETQAEDVVLLSPACASFDMFKSYNDRGQQFVACVNSLV
Complex: UMA_A_2(5A5F) / Model_4(5A5F/A) = [6.7] Download1834.8317.02MINCGAKMLIQRGGLKVVAGLGISGVSAVNFLHEQGYQVAVTDSRPTPPGHDQIPAGVKTSFGQLDQELLLQAEEIILSPGLAPQLPEIQAAIAKGISVVGDIQLLRRATDVPIVAITGSNAKSTVTTLIGLMAKDAGKKVAVGGNLGRPALDLLKDQPELLVLELSSFQLETTSHLNAEVAVVLNMSEDHLDRHGNMLGYHQAKHRIFQGAKKVVFNRDDALSRPLVPDTTPMQSFGLNAPDLNQYGVLRDADGTLWLARGLQRLIKSSDLYIQGMHNVANALACLALGEAIGLPMESMLETLKQFKGLEHRCEYVKTVHDVRYYNDSKGTNVGATLAAIDGLGAAIEVKKGKVALILGGQGKGQDFSPLRSSIEKYAKVVVLIGEDAPVIEQAIQGATKILHAATLKEAVELCQRETQAEDVVLLSPACASFDMFKSYNDRGQQFVACVNSLV
Consensus
[pKd Mean = 7.55]		-1355
(s=478)		7
(s=9)		MINCGAKMLIQRGGLKVVAGLGISGVSAVNFLHEQGYQVAVTDSRPTPPGHDQIPAGVKTSFGQLDQELLLQAEEIILSPGLAPQLPEIQAAIAKGISVVGDIQLLRRATDVPIVAITGSNAKSTVTTLIGLMAKDAGKKVAVGGNLGRPALDLLKDQPELLVLELSSFQLETTSHLNAEVAVVLNMSEDHLDRHGNMLGYHQAKHRIFQGAKKVVFNRDDALSRPLVPDTTPMQSFGLNAPDLNQYGVLRDADGTLWLARGLQRLIKSSDLYIQGMHNVANALACLALGEAIGLPMESMLETLKQFKGLEHRCEYVKTVHDVRYYNDSKGTNVGATLAAIDGLGAAIEVKKGKVALILGGQGKGQDFSPLRSSIEKYAKVVVLIGEDAPVIEQAIQGATKILHAATLKEAVELCQRETQAEDVVLLSPACASFDMFKSYNDRGQQFVACVNSLV



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]
ALA19O221[O], 1[C],
ALA19C321[O], 2[C],
ALA19CA121[O],
ALA19CB121[O],
GLY20CA923[C], 1[P], 3[O], 2[N],
GLY20N423[C], 1[O],
GLY20O121[O],
GLY20C523[C], 2[O],
LEU21C121[O],
LEU21CA121[O],
LEU21N522[O], 3[C],
LEU21O121[O],
GLY22N725[O], 2[P],
GLY22CA921[C], 2[P], 6[O],
GLY22C722[P], 5[O],
GLY22O421[P], 3[O],
ILE23CA725[O], 1[P], 1[C],
ILE23O121[O],
ILE23N921[C], 6[O], 2[P],
ILE23C722[C], 1[P], 4[O],
ILE23CG2822[C], 1[P], 5[O],
ILE23CB923[C], 1[P], 5[O],
ILE23CD11125[C], 5[O], 1[P],
ILE23CG1722[C], 4[O], 1[P],
SER24CA1121[P], 7[O], 3[C],
SER24C121[O],
SER24OG1721[N], 6[C], 8[O], 2[P],
SER24CB1322[P], 8[O], 3[C],
SER24O121[O],
SER24N1323[C], 2[P], 8[O],
GLY25CA121[O],
GLY25N322[O], 1[P],
THR42O322[C], 1[O],
THR42C121[O],
ASP43CA421[N], 1[O], 2[C],
ASP43OD21122[N], 5[C], 4[O],
ASP43C421[O], 2[C], 1[N],
ASP43N221[O], 1[C],
ASP43CB421[N], 1[O], 2[C],
ASP43O321[N], 1[O], 1[C],
ASP43OD1922[N], 2[O], 5[C],
ASP43CG822[O], 4[C], 2[N],
SER44CA622[O], 3[C], 1[N],
SER44N621[N], 2[O], 3[C],
SER44C521[N], 2[C], 2[O],
SER44CB622[O], 3[C], 1[N],
SER44O121[N],
SER44OG925[C], 2[O], 2[N],
ARG45N522[C], 2[O], 1[N],
ARG45CA421[N], 2[C], 1[O],
ARG45CD1227[C], 3[O], 2[N],
ARG45CB421[N], 2[C], 1[O],
ARG45CG1022[N], 3[O], 5[C],
ARG45CZ1726[O], 9[C], 2[N],
ARG45NE1322[N], 4[O], 7[C],
PRO49CD121[O],
PRO49CG121[O],
LEU65CD2221[C], 1[O],
LEU65CG121[O],
SER79CA421[P], 3[O],
SER79N121[O],
SER79CB922[C], 2[P], 5[O],
SER79O221[O], 1[P],
SER79OG624[O], 1[P], 1[C],
SER79C221[P], 1[O],
PRO80CB923[O], 1[P], 4[C], 1[N],
PRO80CG1827[C], 2[P], 8[O], 1[N],
PRO80CA421[P], 2[O], 1[C],
PRO80C821[N], 1[P], 4[O], 2[C],
PRO80N822[C], 5[O], 1[P],
PRO80CD1428[O], 2[P], 3[C], 1[N],
PRO80O522[C], 3[O],
GLY81O1822[N], 1[P], 6[O], 9[C],
GLY81N1721[N], 9[C], 6[O], 1[P],
GLY81CA2022[N], 9[C], 8[O], 1[P],
GLY81C1821[N], 6[O], 1[P], 10[C],
LEU82CB622[N], 3[C], 1[O],
LEU82CA524[C], 1[N],
LEU82N1021[N], 1[P], 2[O], 6[C],
LEU82CD21122[N], 3[O], 6[C],
LEU82CG1022[O], 6[C], 2[N],
LEU82CD1721[O], 4[C], 2[N],
ASP102OD2321[C], 2[O],
ASP102CG121[O],
ASP102OD1121[O],
ILE103CD1121[O],
GLY119C121[O],
GLY119O121[O],
SER120C423[O], 1[P],
SER120N121[O],
SER120CA121[O],
SER120O421[P], 3[O],
ASN121ND2824[C], 1[O], 3[N],
ASN121CG1623[N], 7[C], 5[O], 1[P],
ASN121C2225[N], 7[O], 2[P], 8[C],
ASN121CB2225[N], 10[C], 5[O], 2[P],
ASN121CA2222[P], 7[O], 8[C], 5[N],
ASN121O1725[N], 5[O], 2[P], 5[C],
ASN121N1122[N], 1[P], 4[O], 4[C],
ASN121OD11422[N], 6[C], 5[O], 1[P],
ALA122CA2425[N], 8[O], 2[P], 9[C],
ALA122C1725[C], 2[P], 7[O], 3[N],
ALA122N25210[C], 8[O], 2[P], 5[N],
ALA122CB1825[N], 5[O], 2[P], 6[C],
ALA122O1125[O], 2[P], 2[C], 2[N],
LYS123CA725[O], 2[P],
LYS123CD423[O], 1[P],
LYS123NZ821[P], 6[O], 1[C],
LYS123CE821[C], 6[O], 1[P],
LYS123O521[P], 4[O],
LYS123CB725[O], 2[P],
LYS123N1121[N], 2[P], 7[O], 1[C],
LYS123CG524[O], 1[P],
LYS123C722[P], 5[O],
SER124O222[O],
SER124C624[O], 2[P],
SER124N922[P], 7[O],
SER124OG822[P], 6[O],
SER124CA725[O], 2[P],
SER124CB922[P], 7[O],
THR125C121[O],
THR125CA423[O], 1[P],
THR125CB721[C], 1[P], 4[O], 1[N],
THR125CG2321[N], 1[C], 1[O],
THR125OG11022[N], 1[P], 4[O], 3[C],
THR125N722[P], 5[O],
VAL126N121[O],
GLY145O723[O], 4[C],
GLY145N221[O], 1[C],
GLY145CA221[C], 1[O],
GLY145C623[C], 3[O],
ASN146CA1224[O], 7[C], 1[N],
ASN146C1221[N], 7[C], 4[O],
ASN146O1425[O], 8[C], 1[N],
ASN146CG19210[C], 7[O], 2[N],
ASN146CB1421[N], 9[C], 4[O],
ASN146OD12422[N], 14[C], 8[O],
ASN146ND21526[O], 8[C], 1[N],
ASN146N824[C], 4[O],
LEU147CA221[O], 1[C],
LEU147CD1121[O],
LEU147O221[O], 1[C],
LEU147C321[O], 2[C],
LEU147N523[O], 2[C],
GLY148N825[C], 3[O],
GLY148C522[O], 3[C],
GLY148CA823[O], 5[C],
GLY148O423[C], 1[O],
ARG149N422[O], 2[C],
ARG149C221[C], 1[O],
ARG149CA121[C],
ARG149O221[O], 1[C],
PRO150CG422[C], 2[O],
PRO150C221[C], 1[O],
PRO150CA322[C], 1[O],
PRO150CD321[O], 2[C],
PRO150CB321[O], 2[C],
PRO150N321[O], 2[C],
ALA151N221[O], 1[C],
GLU165OE2521[P], 4[O],
GLU165OE1321[P], 2[O],
GLU165CD322[O], 1[P],
GLU165CG121[O],
SER167CB721[N], 3[O], 3[C],
SER167C121[C],
SER167OG422[C], 1[O], 1[N],
SER167N121[C],
SER167CA221[C], 1[O],
PHE169CD1121[C],
PHE169CE2821[N], 2[O], 5[C],
PHE169CZ423[C], 1[O],
PHE169N121[C],
PHE169CG421[O], 3[C],
PHE169CE1121[C],
PHE169CB322[C], 1[O],
PHE169CD2724[C], 1[O], 2[N],
GLN170CG222[O],
GLN170NE2923[O], 6[C],
GLN170OE1121[O],
GLN170CD422[C], 2[O],
LEU185C121[N],
LEU185O121[N],
LEU185CB221[C], 1[N],
LEU185CD2121[N],
LEU185CG121[N],
LEU185CD1121[N],
ASN186CB422[N], 2[C],
ASN186ND2824[N], 4[C],
ASN186CG623[N], 3[C],
ASN186OD1522[C], 3[N],
ASP190OD2221[O], 1[C],
ASP190CG121[O],
ASP190OD1121[O],
HIS191CD2523[C], 2[O],
HIS191CE1925[C], 3[O], 1[N],
HIS191NE2824[C], 3[O], 1[N],
HIS191CG421[O], 3[C],
HIS191ND1421[O], 3[C],
HIS278O623[N], 3[C],
HIS278C523[C], 2[N],
HIS278CE1821[O], 5[C], 2[N],
HIS278CB1025[C], 5[N],
HIS278ND1623[C], 1[O], 2[N],
HIS278CG1221[O], 6[C], 5[N],
HIS278CA523[N], 2[C],
HIS278CD21422[O], 7[C], 5[N],
HIS278NE21424[N], 7[C], 3[O],
ASN279OD1622[N], 3[C], 1[O],
ASN279ND2221[O], 1[C],
ASN279CG321[O], 1[C], 1[N],
ASN279N422[C], 2[N],
ASN279CA121[N],
ALA281CB121[N],
ASN282CB321[C], 2[N],
ASN282OD1824[N], 4[C],
ASN282CA121[N],
ASN282ND2924[C], 1[O], 4[N],
ASN282CG824[N], 4[C],
ASN282N121[N],
LEU310CB222[O],
LEU310CD1322[O], 1[P],
LEU310CG121[O],
HIS312O422[C], 2[O],
HIS312C321[C], 2[O],
ARG313CG1526[C], 7[O], 1[P], 1[N],
ARG313CA825[C], 3[O],
ARG313O322[C], 1[O],
ARG313N422[C], 2[O],
ARG313NE1021[P], 5[O], 4[C],
ARG313C422[O], 2[C],
ARG313CB1226[C], 5[O], 1[P],
ARG313CD1024[C], 5[O], 1[P],
ARG313CZ523[O], 1[P], 1[C],
CYS314C121[O],
CYS314N523[C], 2[O],
CYS314SG121[O],
CYS314CB221[O], 1[C],
CYS314CA321[C], 2[O],
ASP328O221[O], 1[C],
ASP328CB322[O], 1[C],
ASP328OD1824[C], 3[O], 1[N],
ASP328CG624[C], 2[O],
ASP328CA222[O],
ASP328OD2724[C], 3[O],
ASP328C221[C], 1[O],
SER329O121[O],
SER329N121[O],
SER329C121[O],
LYS330O825[C], 3[O],
LYS330N221[C], 1[O],
LYS330CG1124[C], 6[O], 1[P],
LYS330CD823[C], 1[P], 4[O],
LYS330NZ1222[P], 7[O], 3[C],
LYS330CA524[C], 1[O],
LYS330C624[C], 2[O],
LYS330CE1023[C], 5[O], 2[P],
LYS330CB924[C], 5[O],
GLY331N825[C], 3[O],
GLY331C321[O], 2[C],
GLY331CA823[O], 5[C],
GLY331O121[O],
THR332N221[O], 1[C],
ASN333ND2321[O], 2[C],
GLY335O422[C], 2[N],
GLY335CA121[C],
GLY335C422[C], 2[N],
ALA336N523[C], 1[O], 1[N],
ALA336CA1123[N], 2[O], 6[C],
ALA336O1023[N], 3[O], 4[C],
ALA336C822[O], 4[C], 2[N],
ALA336CB1222[N], 3[O], 7[C],
THR337N221[N], 1[O],
ALA339CA422[N], 2[C],
ALA339N321[C], 2[N],
ALA339C221[C], 1[N],
ALA339CB924[N], 5[C],
ALA340N221[N], 1[C],
SER428OG121[O],
Total = 278



Download csv file of statistical distribution of contacts