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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: 0RQ_A_3(4EUC) / Model_16(4EUC/A) = [7.2] Download2387.2315.11MSLSRIRLASLHDKVISAEQAAQFIENGMTVGMSGFTRAGEAKAVPQALVELAKKNPLKITLITGASLGNDLDKQLTEAGVLSRRMPFQVDNTLRRAINNGEVMFIDQHLSETVEQMRNQQLKRPDVAVIEAIAITEDGGIIPTTSVGNSASFAIFAEKVIVEINTSLSESFEGLHDIYIPTYRPTRTPIPLTKVDERIGTTAIQIDPAKIVGIVFNDTHDSPSTVTPLDDETQGIANHLIAFFEKEVAEGHLPKNLGPLQAGIGSIANAVLTGLKDSNFEDLIMYSEVLQDCTFELIDAGKMKFASGSSITLSAKCGEKVFGNIEAYKDKLVLRPQEISNHPELVRRLGIIGINTALEFDIYGNVNSTHVCGTKMMNGIGGSGDFARNAHLAIFVTKSIAKGGDISSIVPMVSHVDHSEHDVDILVTEQGLADLRGLAPRERARAIIDNCVHPLYRDALNDYFDRACAKGGHTPHLLREALSWHANFEETGQMLQPTPVAKSA
Complex: 0T1_B_11(5DW5) / Model_22(5DW5/B) = [6.0] Download1875.1718.05MSLSRIRLASLHDKVISAEQAAQFIENGMTVGMSGFTRAGEAKAVPQALVELAKKNPLKITLITGASLGNDLDKQLTEAGVLSRRMPFQVDNTLRRAINNGEVMFIDQHLSETVEQMRNQQLKRPDVAVIEAIAITEDGGIIPTTSVGNSASFAIFAEKVIVEINTSLSESFEGLHDIYIPTYRPTRTPIPLTKVDERIGTTAIQIDPAKIVGIVFNDTHDSPSTVTPLDDETQGIANHLIAFFEKEVAEGHLPKNLGPLQAGIGSIANAVLTGLKDSNFEDLIMYSEVLQDCTFELIDAGKMKFASGSSITLSAKCGEKVFGNIEAYKDKLVLRPQEISNHPELVRRLGIIGINTALEFDIYGNVNSTHVCGTKMMNGIGGSGDFARNAHLAIFVTKSIAKGGDISSIVPMVSHVDHSEHDVDILVTEQGLADLRGLAPRERARAIIDNCVHPLYRDALNDYFDRACAKGGHTPHLLREALSWHANFEETGQMLQPTPVAKSA
Complex: COA_B_7(4EU6) / Model_24(4EU6/B) = [4.2] Download1842.2918.22MSLSRIRLASLHDKVISAEQAAQFIENGMTVGMSGFTRAGEAKAVPQALVELAKKNPLKITLITGASLGNDLDKQLTEAGVLSRRMPFQVDNTLRRAINNGEVMFIDQHLSETVEQMRNQQLKRPDVAVIEAIAITEDGGIIPTTSVGNSASFAIFAEKVIVEINTSLSESFEGLHDIYIPTYRPTRTPIPLTKVDERIGTTAIQIDPAKIVGIVFNDTHDSPSTVTPLDDETQGIANHLIAFFEKEVAEGHLPKNLGPLQAGIGSIANAVLTGLKDSNFEDLIMYSEVLQDCTFELIDAGKMKFASGSSITLSAKCGEKVFGNIEAYKDKLVLRPQEISNHPELVRRLGIIGINTALEFDIYGNVNSTHVCGTKMMNGIGGSGDFARNAHLAIFVTKSIAKGGDISSIVPMVSHVDHSEHDVDILVTEQGLADLRGLAPRERARAIIDNCVHPLYRDALNDYFDRACAKGGHTPHLLREALSWHANFEETGQMLQPTPVAKSA
Consensus
[pKd Mean = 5.80]		-2034
(s=249)		17
(s=1)		MSLSRIRLASLHDKVISAEQAAQFIENGMTVGMSGFTRAGEAKAVPQALVELAKKNPLKITLITGASLGNDLDKQLTEAGVLSRRMPFQVDNTLRRAINNGEVMFIDQHLSETVEQMRNQQLKRPDVAVIEAIAITEDGGIIPTTSVGNSASFAIFAEKVIVEINTSLSESFEGLHDIYIPTYRPTRTPIPLTKVDERIGTTAIQIDPAKIVGIVFNDTHDSPSTVTPLDDETQGIANHLIAFFEKEVAEGHLPKNLGPLQAGIGSIANAVLTGLKDSNFEDLIMYSEVLQDCTFELIDAGKMKFASGSSITLSAKCGEKVFGNIEAYKDKLVLRPQEISNHPELVRRLGIIGINTALEFDIYGNVNSTHVCGTKMMNGIGGSGDFARNAHLAIFVTKSIAKGGDISSIVPMVSHVDHSEHDVDILVTEQGLADLRGLAPRERARAIIDNCVHPLYRDALNDYFDRACAKGGHTPHLLREALSWHANFEETGQMLQPTPVAKSA



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]
PHE36CE1432[C], 1[S], 1[O],
PHE36CD2431[O], 2[C], 1[S],
PHE36CD1331[C], 1[S], 1[O],
PHE36CG131[C],
PHE36CZ831[O], 1[S], 6[C],
PHE36CE21031[O], 7[C], 1[N], 1[S],
THR37CB431[O], 2[C], 1[S],
THR37CG21131[S], 3[N], 6[C], 1[O],
THR37N131[C],
THR37OG1131[C],
THR37CA131[C],
ALA66CB431[O], 1[S], 2[C],
PHE88CZ46310[O], 29[C], 6[N], 1[S],
PHE88CB531[O], 4[C],
PHE88CD13337[O], 1[S], 6[N], 19[C],
PHE88CD224314[C], 5[N], 1[S], 4[O],
PHE88CE23637[O], 22[C], 6[N], 1[S],
PHE88CG2131[S], 5[N], 11[C], 4[O],
PHE88CE142310[O], 25[C], 6[N], 1[S],
GLN89O333[O],
VAL90CG1835[C], 3[O],
VAL90CB333[O],
ASN92OD1732[P], 5[O],
ASN92ND2232[O],
ASN92CG232[O],
ARG95CD434[O],
ARG95CZ1031[C], 7[O], 2[P],
ARG95NE636[O],
ASP107OD2434[C],
HIS109C131[O],
LEU110N332[C], 1[O],
LEU110CD2631[S], 1[N], 3[C], 1[O],
LEU110CG2031[O], 1[S], 3[N], 15[C],
LEU110CB1131[O], 1[S], 3[N], 6[C],
LEU110C131[O],
LEU110CD12031[O], 1[S], 3[N], 15[C],
LEU110CA332[C], 1[O],
SER111N131[O],
VAL226CG1232[O],
VAL226CG2131[O],
THR227CA232[O],
THR227CB732[P], 5[O],
THR227CG2433[O], 1[P],
THR227N434[O],
THR227OG11231[C], 3[P], 8[O],
ASP230OD2232[O],
ASP230OD1131[O],
GLU232CD131[O],
GLU232OE1131[O],
THR233CG21032[P], 8[O],
ILE236CD1333[O],
GLN261O737[C],
GLN261C938[C], 1[S],
GLN261NE22231[S], 3[N], 14[C], 4[O],
GLN261CG1431[O], 9[C], 3[N], 1[S],
GLN261CA531[S], 4[C],
GLN261OE120312[C], 3[N], 1[S], 4[O],
GLN261CD2034[O], 1[S], 3[N], 12[C],
GLN261CB931[S], 8[C],
ALA262C2034[O], 1[S], 3[N], 12[C],
ALA262N931[S], 8[C],
ALA262CB434[C],
ALA262O2031[S], 3[N], 12[C], 4[O],
ALA262CA1139[C], 1[N], 1[S],
GLY263CA3938[O], 1[S], 6[N], 24[C],
GLY263N25313[C], 4[N], 1[S], 7[O],
GLY263C45314[O], 1[S], 6[N], 24[C],
GLY263O41312[O], 1[P], 1[S], 6[N], 21[C],
ILE264CA62319[O], 3[P], 1[S], 6[N], 33[C],
ILE264CG25732[P], 16[O], 32[C], 6[N], 1[S],
ILE264C6833[P], 22[O], 36[C], 6[N], 1[S],
ILE264CG156316[O], 2[P], 31[C], 6[N], 1[S],
ILE264O74338[C], 6[N], 1[S], 5[P], 24[O],
ILE264CD151329[C], 6[N], 1[S], 14[O], 1[P],
ILE264N5732[P], 18[O], 30[C], 6[N], 1[S],
ILE264CB64319[O], 3[P], 1[S], 6[N], 35[C],
GLY265O3236[P], 18[O], 8[C],
GLY265N68323[O], 5[P], 34[C], 6[N],
GLY265CA6736[P], 30[O], 27[C], 4[N],
GLY265C4936[P], 25[O], 1[N], 17[C],
SER266C30322[O], 6[P], 2[C],
SER266CB3537[C], 22[O], 6[P],
SER266OG40322[O], 6[P], 12[C],
SER266CA3637[C], 23[O], 6[P],
SER266O2236[P], 16[O],
SER266N45315[C], 24[O], 6[P],
ILE267CG14036[P], 24[O], 10[C],
ILE267C2031[C], 4[P], 15[O],
ILE267N3936[P], 24[O], 9[C],
ILE267CB35323[O], 6[P], 6[C],
ILE267CD152324[O], 6[P], 19[C], 3[N],
ILE267CA3036[P], 21[O], 3[C],
ILE267O836[O], 2[P],
ILE267CG22536[P], 17[O], 2[C],
ALA268CA1133[P], 8[O],
ALA268N21315[O], 3[P], 3[C],
ALA268C333[O],
ALA268CB2033[P], 12[O], 5[C],
ASN269CB434[O],
ASN269N735[O], 2[P],
ASN269CA232[O],
ALA270N131[O],
TYR286O131[C],
SER287O534[C], 1[S],
SER287OG1131[O], 1[S], 9[C],
SER287CB534[C], 1[S],
SER287CA531[S], 4[C],
SER287C731[S], 6[C],
GLU288OE223316[C], 3[N], 1[S], 3[O],
GLU288CG1631[S], 3[N], 11[C], 1[O],
GLU288CA1231[S], 1[N], 9[C], 1[O],
GLU288OE123315[C], 3[N], 1[S], 4[O],
GLU288O831[O], 1[S], 6[C],
GLU288CB1531[S], 3[N], 10[C], 1[O],
GLU288C1031[O], 1[S], 8[C],
GLU288CD2231[S], 3[N], 15[C], 3[O],
GLU288N1131[O], 9[C], 1[S],
VAL289CG21036[C], 2[N], 1[S], 1[O],
VAL289CG11431[O], 1[S], 3[N], 9[C],
VAL289C431[S], 3[C],
VAL289CB1238[C], 2[N], 1[S], 1[O],
VAL289O534[C], 1[S],
VAL289CA836[C], 1[S], 1[O],
VAL289N1031[S], 8[C], 1[O],
GLN291CD131[C],
GLN291OE1931[N], 3[C], 5[O],
GLN291NE2532[O], 1[S], 2[C],
SER340O131[C],
ASN341CA131[C],
ASN341OD1831[S], 6[C], 1[O],
ASN341ND21431[O], 1[S], 3[N], 9[C],
ASN341CG836[C], 1[S], 1[O],
ASN341CB836[C], 1[S], 1[O],
GLY353CA131[C],
ILE354O2136[O], 11[C], 3[N], 1[S],
ILE354N535[C],
ILE354C1432[N], 9[C], 3[O],
ILE354CA333[C],
ASN355CG3237[O], 18[C], 6[N], 1[S],
ASN355O3139[O], 18[C], 4[N],
ASN355CB4131[S], 6[N], 27[C], 7[O],
ASN355OD13831[S], 6[N], 24[C], 7[O],
ASN355N1933[N], 10[C], 6[O],
ASN355ND22334[O], 15[C], 3[N], 1[S],
ASN355C5133[P], 12[O], 6[N], 30[C],
ASN355CA4239[O], 27[C], 6[N],
THR356OG184339[C], 6[N], 33[O], 6[P],
THR356N6433[P], 21[O], 6[N], 34[C],
THR356CB78330[O], 6[P], 36[C], 6[N],
THR356O57330[C], 6[N], 3[P], 18[O],
THR356C61321[O], 4[P], 30[C], 6[N],
THR356CG275333[C], 6[N], 6[P], 30[O],
THR356CA65330[C], 6[N], 23[O], 6[P],
ALA357N73327[O], 6[P], 7[N], 33[C],
ALA357O100346[C], 18[N], 30[O], 6[P],
ALA357CA7334[P], 21[O], 36[C], 12[N],
ALA357CB46313[O], 9[N], 24[C],
ALA357C9236[P], 27[O], 18[N], 41[C],
LEU358N93344[C], 18[N], 6[P], 25[O],
LEU358CG82315[O], 18[N], 49[C],
LEU358CD2101350[C], 18[N], 27[O], 6[P],
LEU358CA90345[C], 18[N], 21[O], 6[P],
LEU358CB75343[C], 18[N], 14[O],
LEU358CD163339[C], 18[N], 6[O],
LEU358C53330[C], 15[N], 8[O],
LEU358O6232[P], 12[O], 33[C], 15[N],
GLU359C1236[N], 6[C],
GLU359OE21436[N], 8[C],
GLU359CG22312[C], 10[N],
GLU359O833[C], 5[N],
GLU359OE120310[N], 10[C],
GLU359CD1839[C], 9[N],
GLU359CA28318[C], 10[N],
GLU359CB27315[C], 12[N],
GLU359N39324[C], 15[N],
PHE360N433[N], 1[C],
VAL366CG1333[C],
ASN367OD1333[C],
ASN367CG734[C], 3[N],
ASN367C1433[N], 11[C],
ASN367CB333[N],
ASN367CA333[C],
ASN367ND21236[C], 6[N],
ASN367O4339[N], 30[C], 4[O],
SER368C3933[N], 27[C], 9[O],
SER368OG4539[O], 30[C], 6[N],
SER368N3137[O], 21[C], 3[N],
SER368O48315[O], 27[C], 6[N],
SER368CA3939[O], 27[C], 3[N],
SER368CB45330[C], 6[N], 9[O],
THR369OG1333[C],
THR369CG22936[O], 3[N], 20[C],
THR369C1932[N], 14[C], 3[O],
THR369CA27321[C], 3[N], 3[O],
THR369N3337[O], 23[C], 3[N],
THR369CB2033[N], 14[C], 3[O],
THR369O17314[C], 3[O],
HIS370N333[C],
HIS370O1034[N], 6[C],
HIS370C1236[C], 6[N],
VAL371N2038[N], 12[C],
VAL371CB3633[O], 18[C], 15[N],
VAL371O733[C], 4[N],
VAL371CG138315[N], 18[C], 5[O],
VAL371CG255330[C], 15[N], 10[O],
VAL371C1336[N], 7[C],
VAL371CA25313[N], 12[C],
CYS372N1539[N], 6[C],
CYS372CA633[C], 3[N],
CYS372CB232[C],
CYS372SG833[C], 5[N],
LYS375NZ131[O],
MET376SD431[C], 3[O],
MET377O833[O], 5[C],
MET377CG92348[C], 12[N], 4[P], 28[O],
MET377C2836[O], 3[N], 19[C],
MET377CB72314[O], 48[C], 10[N],
MET377CA26318[C], 8[O],
MET377CE85343[C], 12[N], 26[O], 4[P],
MET377SD85345[C], 9[N], 4[P], 27[O],
MET377N833[C], 5[O],
ASN378CG50313[O], 1[P], 33[C], 3[N],
ASN378O1533[N], 9[C], 3[O],
ASN378OD144329[C], 3[N], 12[O],
ASN378N3033[N], 21[C], 6[O],
ASN378C2533[O], 3[N], 19[C],
ASN378CA2733[N], 21[C], 3[O],
ASN378ND27433[P], 28[O], 4[N], 39[C],
ASN378CB4536[N], 27[C], 12[O],
GLY379O46310[O], 30[C], 6[N],
GLY379CA2536[O], 6[N], 13[C],
GLY379C3837[O], 6[N], 25[C],
GLY379N36324[C], 6[N], 6[O],
ILE380CB2034[O], 10[C], 6[N],
ILE380O4131[S], 6[N], 24[C], 10[O],
ILE380CG21432[O], 9[C], 3[N],
ILE380CA3137[O], 6[N], 18[C],
ILE380CG12236[N], 12[C], 4[O],
ILE380C3537[O], 21[C], 6[N], 1[S],
ILE380N2736[N], 14[C], 7[O],
ILE380CD1837[C], 1[O],
GLY381N3537[O], 1[S], 6[N], 21[C],
GLY381O2631[S], 3[N], 18[C], 4[O],
GLY381CA35321[C], 6[N], 1[S], 7[O],
GLY381C2934[O], 18[C], 6[N], 1[S],
GLY382CA2631[S], 3[N], 18[C], 4[O],
GLY382O23315[C], 3[N], 1[S], 4[O],
GLY382C2631[S], 3[N], 18[C], 4[O],
GLY382N2931[S], 6[N], 18[C], 4[O],
SER383O2234[O], 14[C], 3[N], 1[S],
SER383C2634[O], 1[S], 3[N], 18[C],
SER383OG4131[S], 6[N], 24[C], 10[O],
SER383N2934[O], 18[C], 6[N], 1[S],
SER383CA29318[C], 6[N], 1[S], 4[O],
SER383CB41310[O], 1[S], 6[N], 24[C],
GLY384CA1032[O], 6[C], 2[N],
GLY384C434[C],
GLY384N2631[S], 3[N], 18[C], 4[O],
ASP385N731[O], 6[C],
ASP385C434[C],
ASP385CB735[C], 1[S], 1[O],
ASP385CA434[C],
ASP385CG531[O], 4[C],
ASP385OD2831[O], 1[S], 6[C],
PHE386C434[C],
PHE386N1038[C], 1[S], 1[O],
PHE386CE21231[S], 1[N], 9[C], 1[O],
PHE386CA737[C],
PHE386CD21431[O], 1[S], 3[N], 9[C],
PHE386CD1837[C], 1[S],
PHE386CB1339[C], 2[N], 1[S], 1[O],
PHE386CZ931[S], 7[C], 1[O],
PHE386CG1231[O], 9[C], 1[N], 1[S],
PHE386CE1631[S], 5[C],
ALA387N636[C],
PHE395CE11734[N], 9[C], 4[O],
PHE395CZ333[O],
PHE395CD11436[O], 3[N], 5[C],
VAL396CG2431[P], 3[O],
VAL396N333[O],
VAL396O37312[C], 1[N], 18[O], 6[P],
VAL396CB333[O],
VAL396CA333[O],
VAL396C2235[C], 3[P], 14[O],
VAL396CG1232[O],
THR397C1733[N], 1[C], 9[O], 4[P],
THR397CG21333[C], 6[N], 4[O],
THR397OG154321[C], 10[N], 6[P], 17[O],
THR397O333[O],
THR397CB4136[P], 14[O], 6[N], 15[C],
THR397CA28313[O], 6[P], 3[N], 6[C],
THR397N1332[P], 9[O], 2[C],
LYS398CA1533[C], 3[N], 3[P], 6[O],
LYS398CG1932[C], 3[N], 11[O], 3[P],
LYS398C1233[O], 6[N], 3[C],
LYS398NZ1132[P], 9[O],
LYS398CB2233[P], 12[O], 3[N], 4[C],
LYS398O2134[O], 2[P], 9[C], 6[N],
LYS398CD1833[N], 3[C], 3[P], 9[O],
LYS398CE1232[P], 10[O],
LYS398N27315[O], 6[P], 3[C], 3[N],
SER399C434[N],
SER399O431[C], 3[N],
SER399CA131[N],
ILE400O46315[N], 19[C], 9[O], 3[P],
ILE400CA1536[C], 9[N],
ILE400CB333[N],
ILE400C38315[N], 17[C], 6[O],
ILE400N1236[C], 6[N],
ALA401CA56315[N], 24[C], 3[P], 14[O],
ALA401CB6634[P], 17[O], 30[C], 15[N],
ALA401O36318[C], 15[N], 3[O],
ALA401N4236[O], 15[N], 21[C],
ALA401C47324[C], 15[N], 8[O],
LYS402CB4031[P], 6[O], 18[C], 15[N],
LYS402CD63327[C], 15[N], 18[O], 3[P],
LYS402N58316[O], 3[P], 24[C], 15[N],
LYS402CG57324[C], 15[N], 15[O], 3[P],
LYS402O131[O],
LYS402C535[O],
LYS402CE64327[C], 15[N], 3[P], 19[O],
LYS402CA48313[N], 24[C], 2[P], 9[O],
LYS402NZ65312[N], 30[C], 20[O], 3[P],
GLY403N434[O],
ASP405C333[N],
ILE406N1236[C], 6[N],
ILE406CD13833[O], 15[N], 20[C],
ILE406O2039[N], 11[C],
ILE406C1839[C], 9[N],
ILE406CB3232[O], 15[C], 15[N],
ILE406CG127315[N], 12[C],
ILE406CA2139[N], 12[C],
ILE406CG230315[C], 15[N],
SER407C1839[N], 9[C],
SER407OG333[N],
SER407CB333[N],
SER407N1536[N], 9[C],
SER407O1839[C], 9[N],
SER407CA936[N], 3[C],
SER408O1536[C], 9[N],
SER408N1738[C], 9[N],
SER408CA24315[C], 9[N],
SER408CB26314[C], 12[N],
SER408C1539[N], 6[C],
SER408OG1236[C], 6[N],
ILE409C131[N],
ILE409CA333[N],
ILE409N633[N], 3[C],
VAL410CB232[N],
VAL410CG1735[N], 2[C],
VAL410CG2333[N],
ASP417OD2936[C], 3[N],
ASP417CB333[C],
ASP417CG333[C],
HIS418CE11933[N], 13[C], 3[O],
HIS418NE22233[O], 13[C], 6[N],
HIS418CD21333[O], 3[N], 7[C],
HIS418ND1333[O],
HIS485NE2933[C], 6[N],
HIS485CD21034[C], 6[N],
PHE488CE2936[N], 3[C],
PHE488CD2633[C], 3[N],
PHE488CZ933[C], 6[N],
PHE488CE1936[N], 3[C],
PHE488CD1633[N], 3[C],
PHE488CG633[N], 3[C],
MET494CE1236[C], 6[N],
MET494SD933[C], 6[N],
Total = 368



Download csv file of statistical distribution of contacts