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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: IPR_A_9(1RQJ) / Model_63(1RQJ/A) = [4.9] Download644.8516.95MVIDFKQDILAPVATDFAAMDHLINEGISSKVGLVMSVSKHVVEAGGKRMRPIMCLLAARACGLDNMQNAQRLAAIIEMLHTATLVHDDVVDESGLRRGRPTANATWNNQTAVLVGDFLIARAFDLLVDLNNMTLLKDFSTGTCEIAEGEVLQLQSQHQPDTTEETYLKIIHGKTSRLFELATEGAAILAGQEAYREPLRLFAGHFGNAFQIIDDILDYTSDAETLGKNIGDDLMEGKPTLPLISALAHSTGEEHAIIRRSIATGGVDQLPKVIEIVQKSGALDYCQRRAQEETEAALQALSILPDTPYRQALINLTRLALHRIQ
Complex: RIS_A_10(1RQJ) / Model_63(1RQJ/A) = [3.8] Download572.719.04MVIDFKQDILAPVATDFAAMDHLINEGISSKVGLVMSVSKHVVEAGGKRMRPIMCLLAARACGLDNMQNAQRLAAIIEMLHTATLVHDDVVDESGLRRGRPTANATWNNQTAVLVGDFLIARAFDLLVDLNNMTLLKDFSTGTCEIAEGEVLQLQSQHQPDTTEETYLKIIHGKTSRLFELATEGAAILAGQEAYREPLRLFAGHFGNAFQIIDDILDYTSDAETLGKNIGDDLMEGKPTLPLISALAHSTGEEHAIIRRSIATGGVDQLPKVIEIVQKSGALDYCQRRAQEETEAALQALSILPDTPYRQALINLTRLALHRIQ
Complex: DST_D_11(3KRF) / Model_46(3KRF/D) = [3.7] Download674.267.46MVIDFKQDILAPVATDFAAMDHLINEGISSKVGLVMSVSKHVVEAGGKRMRPIMCLLAARACGLDNMQNAQRLAAIIEMLHTATLVHDDVVDESGLRRGRPTANATWNNQTAVLVGDFLIARAFDLLVDLNNMTLLKDFSTGTCEIAEGEVLQLQSQHQPDTTEETYLKIIHGKTSRLFELATEGAAILAGQEAYREPLRLFAGHFGNAFQIIDDILDYTSDAETLGKNIGDDLMEGKPTLPLISALAHSTGEEHAIIRRSIATGGVDQLPKVIEIVQKSGALDYCQRRAQEETEAALQALSILPDTPYRQALINLTRLALHRIQ
Complex: IPE_B_7(3OYR) / Model_71(3OYR/B) = [3.5] Download698.274.43MVIDFKQDILAPVATDFAAMDHLINEGISSKVGLVMSVSKHVVEAGGKRMRPIMCLLAARACGLDNMQNAQRLAAIIEMLHTATLVHDDVVDESGLRRGRPTANATWNNQTAVLVGDFLIARAFDLLVDLNNMTLLKDFSTGTCEIAEGEVLQLQSQHQPDTTEETYLKIIHGKTSRLFELATEGAAILAGQEAYREPLRLFAGHFGNAFQIIDDILDYTSDAETLGKNIGDDLMEGKPTLPLISALAHSTGEEHAIIRRSIATGGVDQLPKVIEIVQKSGALDYCQRRAQEETEAALQALSILPDTPYRQALINLTRLALHRIQ
Consensus
[pKd Mean = 3.97]
-647
(s=47)
9
(s=4)
MVIDFKQDILAPVATDFAAMDHLINEGISSKVGLVMSVSKHVVEAGGKRMRPIMCLLAARACGLDNMQNAQRLAAIIEMLHTATLVHDDVVDESGLRRGRPTANATWNNQTAVLVGDFLIARAFDLLVDLNNMTLLKDFSTGTCEIAEGEVLQLQSQHQPDTTEETYLKIIHGKTSRLFELATEGAAILAGQEAYREPLRLFAGHFGNAFQIIDDILDYTSDAETLGKNIGDDLMEGKPTLPLISALAHSTGEEHAIIRRSIATGGVDQLPKVIEIVQKSGALDYCQRRAQEETEAALQALSILPDTPYRQALINLTRLALHRIQ



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]
GLY46N141[O],
GLY46C541[P], 4[O],
GLY46O541[P], 4[O],
GLY46CA443[O], 1[P],
GLY47O745[O], 2[P],
GLY47C846[O], 2[P],
GLY47N742[P], 5[O],
GLY47CA947[O], 2[P],
LYS48CE1147[O], 2[C], 2[P],
LYS48CB942[P], 7[O],
LYS48O541[P], 4[O],
LYS48C842[P], 6[O],
LYS48CA947[O], 2[P],
LYS48NZ1448[O], 4[C], 2[P],
LYS48CD947[O], 2[P],
LYS48N947[O], 2[P],
LYS48CG942[P], 7[O],
ARG49CG341[P], 2[O],
ARG49CZ441[P], 3[O],
ARG49CB443[O], 1[P],
ARG49CA745[O], 2[P],
ARG49C642[P], 4[O],
ARG49CD342[O], 1[P],
ARG49N947[O], 2[P],
ARG49O343[O],
ARG49NE342[O], 1[P],
MET50CG842[P], 6[O],
MET50CE441[P], 3[O],
MET50N942[P], 7[O],
MET50C441[P], 3[O],
MET50SD842[P], 6[O],
MET50CB842[P], 6[O],
MET50O141[O],
MET50CA642[P], 4[O],
ARG51CA141[O],
ARG51NE2046[O], 1[N], 2[P], 11[C],
ARG51CG641[P], 2[C], 3[O],
ARG51CB242[O],
ARG51CZ2348[O], 1[N], 12[C], 2[P],
ARG51N443[O], 1[P],
ARG51CD1245[O], 5[C], 2[P],
PRO52CD242[O],
GLU78OE2846[O], 2[P],
GLU78OE1846[O], 2[P],
GLU78CD641[P], 5[O],
GLU78CG141[O],
GLU78CB141[O],
GLU78O141[O],
LEU80O646[C],
LEU80C242[C],
HIS81CB1342[P], 7[C], 4[O],
HIS81CA15413[C], 2[O],
HIS81CD22449[O], 1[N], 2[P], 12[C],
HIS81ND12442[P], 14[C], 8[O],
HIS81CE131418[C], 2[P], 11[O],
HIS81C1543[O], 12[C],
HIS81O2441[P], 1[N], 19[C], 3[O],
HIS81N242[C],
HIS81NE23343[P], 1[N], 18[C], 11[O],
HIS81CG2642[P], 1[N], 16[C], 7[O],
THR82N241[O], 1[C],
THR82CA241[O], 1[C],
THR82O141[C],
THR82OG1141[O],
THR82C141[C],
THR82CB141[O],
ALA83O646[C],
ALA83C747[C],
ALA83CA141[C],
ALA83N141[C],
THR84O32410[O], 1[S], 1[N], 18[C], 2[P],
THR84C23419[C], 1[N], 2[O], 1[S],
THR84CB2141[S], 1[N], 19[C],
THR84CG22543[O], 1[N], 1[P], 20[C],
THR84N11411[C],
THR84CA16415[C], 1[N],
THR84OG120417[C], 1[N], 1[S], 1[O],
LEU85C2342[P], 14[C], 7[O],
LEU85CG4846[P], 1[N], 22[C], 18[O], 1[S],
LEU85CD258422[C], 1[N], 8[P], 26[O], 1[S],
LEU85CD13945[P], 1[N], 19[C], 14[O],
LEU85CA3944[P], 1[N], 21[C], 12[O], 1[S],
LEU85CB4245[P], 1[N], 20[C], 1[S], 15[O],
LEU85O2549[O], 13[C], 3[P],
LEU85N3041[P], 1[N], 21[C], 1[S], 6[O],
VAL86N10410[C],
VAL86C141[C],
VAL86CA141[C],
HIS87CB444[C],
HIS87O343[C],
HIS87N545[C],
HIS87CA444[C],
HIS87C949[C],
ASP88C3346[P], 14[C], 1[S], 12[O],
ASP88CB46420[O], 1[S], 1[N], 18[C], 6[P],
ASP88OD148420[O], 1[S], 1[N], 6[P], 20[C],
ASP88CG4741[S], 20[O], 1[N], 19[C], 6[P],
ASP88N21414[C], 1[S], 6[O],
ASP88O2746[P], 11[C], 9[O], 1[S],
ASP88OD246418[C], 1[N], 6[P], 20[O], 1[S],
ASP88CA37417[C], 1[N], 6[P], 12[O], 1[S],
ASP89OD22044[P], 5[C], 11[O],
ASP89N2349[O], 11[C], 3[P],
ASP89O141[O],
ASP89C343[O],
ASP89CG2243[P], 7[C], 12[O],
ASP89OD12345[P], 6[C], 12[O],
ASP89CA1547[O], 5[C], 3[P],
ASP89CB745[O], 1[P], 1[C],
VAL91C141[O],
VAL91CB141[O],
VAL91CG1642[O], 1[S], 2[C], 1[P],
ASP92N444[O],
ASP92CA541[P], 4[O],
ASP92O242[O],
ASP92OD22241[S], 11[O], 6[C], 4[P],
ASP92CG22412[O], 1[S], 5[C], 4[P],
ASP92CB1741[S], 10[O], 2[C], 4[P],
ASP92C242[O],
ASP92OD12341[S], 12[O], 6[C], 4[P],
GLU93C141[O],
GLU93OE1141[O],
GLU93CB141[O],
SER94N444[O],
SER94OG26415[O], 6[C], 5[P],
SER94O242[O],
SER94C242[O],
SER94CA541[P], 4[O],
SER94CB21413[O], 4[C], 4[P],
LEU96C141[O],
LEU96O1148[O], 3[P],
ARG97CG18411[O], 3[C], 4[P],
ARG97CD2545[P], 5[C], 15[O],
ARG97NE38419[O], 11[C], 8[P],
ARG97CZ5148[P], 18[C], 1[S], 24[O],
ARG97CB1048[O], 2[P],
ARG97O141[O],
ARG97C241[O], 1[P],
ARG97CA646[O],
ARG98CD644[O], 2[P],
ARG98C141[O],
ARG98NE1042[P], 1[C], 7[O],
ARG98N641[P], 5[O],
ARG98CG742[P], 5[O],
ARG98CZ1042[P], 1[C], 7[O],
ARG98O141[O],
ARG98CA544[O], 1[P],
ARG98CB544[O], 1[P],
GLY99N141[O],
ILE146N444[C],
ILE146CB12411[C], 1[N],
ILE146CD111410[C], 1[N],
ILE146CG112411[C], 1[N],
ILE146CG21741[N], 16[C],
ILE146O1341[N], 12[C],
ILE146C941[N], 8[C],
ILE146CA941[N], 8[C],
ALA147CA343[C],
ALA147O141[C],
ALA147C141[C],
ALA147N646[C],
GLY149C846[C], 1[N], 1[O],
GLY149CA641[N], 5[C],
GLY149O845[C], 1[N], 1[S], 1[O],
GLY149N242[C],
GLU150OE22541[S], 6[O], 1[P], 16[C], 1[N],
GLU150CG2341[S], 5[O], 1[N], 16[C],
GLU150CD2441[N], 1[P], 16[C], 1[S], 5[O],
GLU150C545[C],
GLU150O343[C],
GLU150OE12241[N], 1[P], 14[C], 1[S], 5[O],
GLU150CB18415[C], 1[N], 1[O], 1[S],
GLU150CA1741[S], 1[O], 1[N], 14[C],
GLU150N1341[O], 1[S], 1[N], 10[C],
GLN153CG2543[P], 1[N], 12[C], 8[O], 1[S],
GLN153CB1647[C], 1[N], 2[P], 5[O], 1[S],
GLN153NE239416[O], 1[S], 1[N], 16[C], 5[P],
GLN153OE137416[C], 1[N], 5[P], 14[O], 1[S],
GLN153CA141[O],
GLN153CD3741[S], 14[O], 1[N], 16[C], 5[P],
LEU154CD1141[O],
LEU154CD2141[O],
ILE170O644[C], 1[N], 1[O],
ILE170CG2642[C], 1[S], 3[O],
ILE170C141[C],
ILE171CA542[O], 1[N], 2[C],
ILE171O746[C], 1[N],
ILE171CG2442[O], 2[C],
ILE171CB141[O],
ILE171C141[N],
ILE171CG1141[O],
GLY173O746[C], 1[N],
GLY173C741[N], 6[C],
LYS174CA21417[C], 1[N], 2[O], 1[S],
LYS174CG3743[P], 1[N], 21[C], 11[O], 1[S],
LYS174NZ49421[C], 1[N], 6[P], 1[S], 20[O],
LYS174C2641[N], 1[P], 20[C], 3[O], 1[S],
LYS174N1442[O], 1[S], 1[N], 10[C],
LYS174CD38420[C], 1[N], 5[P], 11[O], 1[S],
LYS174CE45421[C], 1[N], 6[P], 16[O], 1[S],
LYS174CB3143[P], 1[N], 19[C], 7[O], 1[S],
LYS174O3041[S], 4[O], 1[N], 21[C], 3[P],
THR175N24419[C], 1[N], 1[S], 3[O],
THR175C14412[C], 1[N], 1[O],
THR175CG231419[C], 1[N], 2[P], 1[S], 8[O],
THR175CB3241[S], 6[O], 1[N], 22[C], 2[P],
THR175CA24419[C], 1[N], 3[O], 1[S],
THR175O1141[N], 10[C],
THR175OG14341[S], 14[O], 1[N], 22[C], 5[P],
SER176N847[C], 1[N],
SER176CA141[C],
LEU178CB746[C], 1[N],
LEU178CD21141[N], 10[C],
LEU178CG444[C],
PHE179N141[C],
PHE179CB141[C],
GLY207O343[C],
ALA209O141[C],
PHE210N141[C],
PHE210CB941[P], 5[C], 3[O],
PHE210CD11044[O], 5[C], 1[P],
PHE210CE223413[O], 1[N], 7[C], 2[P],
PHE210CA542[O], 3[C],
PHE210CE11342[P], 5[C], 6[O],
PHE210O1041[P], 5[C], 4[O],
PHE210CZ1649[O], 5[C], 2[P],
PHE210C843[O], 5[C],
PHE210CG1041[P], 5[C], 4[O],
PHE210CD21441[P], 1[N], 6[C], 6[O],
GLN211CG2943[P], 1[N], 13[C], 11[O], 1[S],
GLN211CD4641[S], 18[O], 1[N], 20[C], 6[P],
GLN211NE248420[C], 1[N], 6[P], 20[O], 1[S],
GLN211CB2042[P], 1[N], 10[C], 1[S], 6[O],
GLN211C845[O], 3[C],
GLN211O1444[C], 2[P], 8[O],
GLN211CA1642[P], 1[N], 7[C], 6[O],
GLN211N745[C], 1[N], 1[O],
GLN211OE15147[P], 1[N], 22[C], 1[S], 20[O],
ILE212N141[C],
ILE213C141[C],
ILE213CG2141[O],
ILE213CB141[C],
ILE213N141[C],
ILE213CA141[C],
ILE213O141[C],
ASP214OD249423[O], 1[S], 1[N], 7[P], 17[C],
ASP214OD14841[S], 24[O], 1[N], 14[C], 8[P],
ASP214O2245[P], 2[C], 15[O],
ASP214CG46413[C], 1[N], 7[P], 24[O], 1[S],
ASP214CA2846[P], 6[C], 16[O],
ASP214CB4147[P], 1[N], 10[C], 22[O], 1[S],
ASP214C2445[P], 4[C], 15[O],
ASP214N843[C], 5[O],
ASP215C343[O],
ASP215CB541[P], 4[O],
ASP215CA1048[O], 2[P],
ASP215CG14411[O], 3[P],
ASP215O343[O],
ASP215N15410[O], 3[P], 2[C],
ASP215OD2742[P], 5[O],
ASP215OD12546[P], 4[C], 14[O], 1[S],
LEU217C141[O],
LEU217CB141[O],
LEU217CG141[O],
LEU217CD1141[O],
ASP218N545[O],
ASP218CB1546[P], 9[O],
ASP218OD219413[O], 1[C], 5[P],
ASP218CA646[O],
ASP218C141[O],
ASP218OD11945[P], 14[O],
ASP218CG2446[P], 1[C], 17[O],
LEU226O741[P], 6[O],
LEU226CG141[O],
LEU226C141[O],
LEU226CB141[O],
LEU226CD1242[O],
GLY227C141[O],
GLY227CA141[O],
GLY227O141[O],
LYS228CB1543[P], 12[O],
LYS228O343[O],
LYS228CD37422[O], 7[C], 8[P],
LYS228CG2143[P], 2[C], 16[O],
LYS228NZ4948[P], 13[C], 27[O], 1[S],
LYS228CA1249[O], 3[P],
LYS228C641[P], 5[O],
LYS228CE4048[P], 8[C], 1[S], 23[O],
LYS228N545[O],
ASN229N645[O], 1[P],
ASN229CA341[P], 2[O],
ASN229CB341[P], 2[O],
ASN229O1249[O], 3[P],
ASN229OD1141[O],
ASN229CG141[O],
ASN229C641[P], 5[O],
ILE230CB141[O],
ILE230CG1241[P], 1[O],
ILE230CA241[O], 1[P],
ILE230C141[O],
ILE230N141[O],
ILE230CG2141[O],
ILE230CD1544[O], 1[P],
GLY231N141[O],
ASP232CA343[O],
ASP232C545[O],
ASP232N343[O],
ASP232CB1443[P], 11[O],
ASP232CG1143[P], 8[O],
ASP232OD21944[P], 1[C], 14[O],
ASP232OD1545[O],
ASP233CB14410[O], 4[P],
ASP233CA1049[O], 1[P],
ASP233N10410[O],
ASP233OD22741[S], 18[O], 2[C], 6[P],
ASP233CG26418[O], 1[S], 1[C], 6[P],
ASP233OD13041[S], 20[O], 3[C], 6[P],
GLU236CD541[P], 4[O],
GLU236OE1644[O], 2[P],
GLU236OE2745[O], 2[P],
LYS238CE22415[O], 1[S], 2[C], 4[P],
LYS238CB641[P], 5[O],
LYS238CG947[O], 2[P],
LYS238CD1449[O], 1[S], 1[C], 3[P],
LYS238NZ2441[S], 14[O], 4[C], 5[P],
THR240CB343[O],
THR240CG2544[O], 1[P],
Total = 327



Download csv file of statistical distribution of contacts