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 :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: RPD_A_5(1QF4) / Model_5(1QF4/A) = [7.4] Download640.129.06MTSVVVVGTQWGDEGKGKITDFLSANAEVIARYQGGDNAGHTIVIDGKKFKLHLIPSGIFFPEKISVIGNGMVVNPKSLVKELSYLHEEGVTTDNLRISDRAHVILPYHIELDRLQEEAKGDNKIGTTIKGIGPAYMDKAARVGIRIADLLDKDIFRERLERNLAEKNRLFEKLYDSKAIVFDDIFEEYYEYGQQIKKYVIDTSVILNDALDNGKRVLFEGAQGVMLDIDQGTYPFVTSSNPVAGGVTIGSGVGPSKIDKVVGVCKAYTSRVGDGPFPTELFDEVGERIREVGHEYGTTTGRPRRVGWFDSVVMRHSRRVSGITNLSLNSIDVLSGLDTVKICVAYDLDGQRIDYYPASLEQLKRCKPIYEELPGWSEDITGVRNLEDLPENARNYVRRVSELVGVRISTFSVGPGREQTNILESVWS
Complex: 2SA_A_5(1MEZ) / Model_40(1MEZ/A) = [7.1] Download589.309.34MTSVVVVGTQWGDEGKGKITDFLSANAEVIARYQGGDNAGHTIVIDGKKFKLHLIPSGIFFPEKISVIGNGMVVNPKSLVKELSYLHEEGVTTDNLRISDRAHVILPYHIELDRLQEEAKGDNKIGTTIKGIGPAYMDKAARVGIRIADLLDKDIFRERLERNLAEKNRLFEKLYDSKAIVFDDIFEEYYEYGQQIKKYVIDTSVILNDALDNGKRVLFEGAQGVMLDIDQGTYPFVTSSNPVAGGVTIGSGVGPSKIDKVVGVCKAYTSRVGDGPFPTELFDEVGERIREVGHEYGTTTGRPRRVGWFDSVVMRHSRRVSGITNLSLNSIDVLSGLDTVKICVAYDLDGQRIDYYPASLEQLKRCKPIYEELPGWSEDITGVRNLEDLPENARNYVRRVSELVGVRISTFSVGPGREQTNILESVWS
Complex: RPL_A_5(1QF5) / Model_6(1QF5/A) = [7.0] Download730.3712.70MTSVVVVGTQWGDEGKGKITDFLSANAEVIARYQGGDNAGHTIVIDGKKFKLHLIPSGIFFPEKISVIGNGMVVNPKSLVKELSYLHEEGVTTDNLRISDRAHVILPYHIELDRLQEEAKGDNKIGTTIKGIGPAYMDKAARVGIRIADLLDKDIFRERLERNLAEKNRLFEKLYDSKAIVFDDIFEEYYEYGQQIKKYVIDTSVILNDALDNGKRVLFEGAQGVMLDIDQGTYPFVTSSNPVAGGVTIGSGVGPSKIDKVVGVCKAYTSRVGDGPFPTELFDEVGERIREVGHEYGTTTGRPRRVGWFDSVVMRHSRRVSGITNLSLNSIDVLSGLDTVKICVAYDLDGQRIDYYPASLEQLKRCKPIYEELPGWSEDITGVRNLEDLPENARNYVRRVSELVGVRISTFSVGPGREQTNILESVWS
Complex: PGS_A_5(1NHT) / Model_17(1NHT/A) = [6.8] Download717.868.36MTSVVVVGTQWGDEGKGKITDFLSANAEVIARYQGGDNAGHTIVIDGKKFKLHLIPSGIFFPEKISVIGNGMVVNPKSLVKELSYLHEEGVTTDNLRISDRAHVILPYHIELDRLQEEAKGDNKIGTTIKGIGPAYMDKAARVGIRIADLLDKDIFRERLERNLAEKNRLFEKLYDSKAIVFDDIFEEYYEYGQQIKKYVIDTSVILNDALDNGKRVLFEGAQGVMLDIDQGTYPFVTSSNPVAGGVTIGSGVGPSKIDKVVGVCKAYTSRVGDGPFPTELFDEVGERIREVGHEYGTTTGRPRRVGWFDSVVMRHSRRVSGITNLSLNSIDVLSGLDTVKICVAYDLDGQRIDYYPASLEQLKRCKPIYEELPGWSEDITGVRNLEDLPENARNYVRRVSELVGVRISTFSVGPGREQTNILESVWS
Complex: AMP_A_3(4M9D) / Model_2(4M9D/A) = [6.6] Download847.7414.37MTSVVVVGTQWGDEGKGKITDFLSANAEVIARYQGGDNAGHTIVIDGKKFKLHLIPSGIFFPEKISVIGNGMVVNPKSLVKELSYLHEEGVTTDNLRISDRAHVILPYHIELDRLQEEAKGDNKIGTTIKGIGPAYMDKAARVGIRIADLLDKDIFRERLERNLAEKNRLFEKLYDSKAIVFDDIFEEYYEYGQQIKKYVIDTSVILNDALDNGKRVLFEGAQGVMLDIDQGTYPFVTSSNPVAGGVTIGSGVGPSKIDKVVGVCKAYTSRVGDGPFPTELFDEVGERIREVGHEYGTTTGRPRRVGWFDSVVMRHSRRVSGITNLSLNSIDVLSGLDTVKICVAYDLDGQRIDYYPASLEQLKRCKPIYEELPGWSEDITGVRNLEDLPENARNYVRRVSELVGVRISTFSVGPGREQTNILESVWS
Consensus
[pKd Mean = 6.98]		-705
(s=88)		10
(s=2)		MTSVVVVGTQWGDEGKGKITDFLSANAEVIARYQGGDNAGHTIVIDGKKFKLHLIPSGIFFPEKISVIGNGMVVNPKSLVKELSYLHEEGVTTDNLRISDRAHVILPYHIELDRLQEEAKGDNKIGTTIKGIGPAYMDKAARVGIRIADLLDKDIFRERLERNLAEKNRLFEKLYDSKAIVFDDIFEEYYEYGQQIKKYVIDTSVILNDALDNGKRVLFEGAQGVMLDIDQGTYPFVTSSNPVAGGVTIGSGVGPSKIDKVVGVCKAYTSRVGDGPFPTELFDEVGERIREVGHEYGTTTGRPRRVGWFDSVVMRHSRRVSGITNLSLNSIDVLSGLDTVKICVAYDLDGQRIDYYPASLEQLKRCKPIYEELPGWSEDITGVRNLEDLPENARNYVRRVSELVGVRISTFSVGPGREQTNILESVWS



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]
TRP11NE1671[C], 5[O],
TRP11CG25712[C], 9[O], 4[N],
TRP11CD2272[O],
TRP11CD13475[N], 13[O], 16[C],
ASP13CG86739[C], 1[S], 21[N], 24[O], 1[P],
ASP13OD29271[S], 43[C], 20[N], 1[P], 27[O],
ASP13OD190742[C], 1[S], 21[N], 1[P], 25[O],
GLU14OE12171[S], 8[C], 7[N], 1[P], 4[O],
GLU14CG271[O], 1[P],
GLU14OE21274[C], 1[P], 3[O], 4[N],
GLU14CD1173[O], 1[P], 3[N], 1[S], 3[C],
LYS16CE2075[N], 5[O], 1[P], 1[S], 8[C],
LYS16CD871[C], 1[S], 1[P], 4[O], 1[N],
LYS16CG473[O], 1[P],
LYS16NZ43712[N], 1[P], 7[O], 1[S], 22[C],
ARG32NE171[O],
ARG32CZ171[O],
GLN34OE1371[O], 1[N], 1[S],
GLN34NE2171[O],
GLN34CD171[O],
ASP37OD110710[O],
ASN38CG150724[N], 8[P], 48[O], 69[C], 1[S],
ASN38ND2154770[C], 1[S], 24[N], 8[P], 51[O],
ASN38OD111678[P], 42[O], 21[N], 1[S], 44[C],
HIS41NE22277[O], 1[P], 3[N], 10[C], 1[S],
HIS41CD227710[C], 1[S], 9[O], 1[P], 6[N],
HIS41ND1871[S], 1[P], 6[O],
HIS41CE11071[S], 1[P], 7[O], 1[N],
HIS41CG1371[N], 1[P], 7[O], 1[S], 3[C],
THR42OG1976[O], 3[C],
LYS51CG171[O],
LYS51CD373[O],
HIS53ND11978[C], 4[N], 7[O],
HIS53CE11878[C], 7[O], 3[N],
HIS53CG874[O], 1[N], 3[C],
HIS53NE2873[C], 5[O],
HIS53CD2474[O],
ASP113OD24277[P], 28[O], 7[C],
ASP113CG3677[P], 28[O], 1[C],
ASP113OD14277[C], 7[P], 28[O],
GLN116OE1171[O],
GLU117OE251722[C], 4[P], 25[O],
GLU117OE135717[C], 17[O], 1[P],
GLU117CD3871[P], 21[O], 16[C],
GLU117CG1171[C], 10[O],
LYS120NZ774[O], 3[C],
ILE125CG2105739[C], 52[O], 7[P], 7[N],
ILE125CG146723[O], 2[P], 21[C],
ILE125CD147721[O], 5[P], 21[C],
THR127CG210677[P], 49[O], 8[N], 42[C],
THR127OG198737[C], 5[N], 7[P], 49[O],
THR128CG2181769[O], 8[P], 26[N], 77[C], 1[S],
THR128OG1162773[C], 1[S], 23[N], 7[P], 58[O],
ILE129CG1878[O],
ILE129CG2676[O],
LYS130CG32721[O], 7[P], 2[N], 2[C],
LYS130CD1178[O], 1[P], 1[N], 1[C],
LYS130NZ471[C], 2[N], 1[O],
LYS130CE877[O], 1[N],
ILE132CD14577[P], 30[O], 6[N], 2[C],
ILE132CG161731[O], 7[P], 8[N], 15[C],
ILE132CG260713[C], 7[P], 33[O], 7[N],
PRO134CD2177[P], 14[O],
PRO134CG777[O],
TYR136CD217714[O], 3[P],
TYR136CE217714[O], 3[P],
TYR136CG171[O],
GLU220CG171[O],
GLU220CD171[O],
GLU220OE2171[O],
GLN223NE216171[S], 71[C], 26[N], 8[P], 55[O],
GLN223CD154753[O], 8[P], 24[N], 1[S], 68[C],
GLN223CG16171[S], 72[C], 56[O], 8[P], 24[N],
GLN223OE1136749[O], 8[P], 24[N], 54[C], 1[S],
LEU227CG134723[N], 43[O], 67[C], 1[S],
LEU227CD2135722[N], 5[P], 42[O], 66[C],
LEU227CD1149745[O], 8[P], 24[N], 71[C], 1[S],
THR233OG1371[C], 2[O],
PHE236CE2474[O],
PHE236CE1272[O],
PHE236CG2177[O], 14[C],
PHE236CD21877[O], 11[C],
PHE236CD11077[C], 3[O],
VAL237CG231715[O], 16[C],
VAL237CG127711[O], 16[C],
THR238CG212771[S], 58[C], 17[N], 7[P], 44[O],
THR238OG1141759[C], 1[S], 18[N], 56[O], 7[P],
SER239OG48713[C], 7[P], 28[O],
SER240OG877[O], 1[N],
LYS266NZ272[O],
SER270OG873[C], 3[N], 2[O],
ARG271CZ4871[N], 21[O], 26[C],
ARG271CG42719[C], 5[N], 18[O],
ARG271CD26710[C], 13[O], 3[N],
ARG271NE5475[N], 22[O], 27[C],
VAL272CG2119764[C], 23[N], 32[O],
VAL272CG1137768[C], 1[S], 1[P], 42[O], 25[N],
ASP274OD2471[C], 3[O],
ASP274CG771[C], 6[O],
ASP274OD1272[O],
GLU295OE1373[O],
THR298OG150725[C], 1[S], 17[O], 1[P], 6[N],
THR298CG232715[C], 1[P], 12[O], 4[N],
THR299OG167732[C], 1[S], 15[N], 18[O], 1[P],
THR299CG255718[O], 11[N], 25[C], 1[S],
THR300OG159711[N], 19[O], 29[C],
THR300CG255725[C], 23[O], 7[N],
ARG302CG2277[C], 13[O], 2[N],
ARG302CD44722[C], 17[O], 5[N],
ARG302CZ134720[N], 46[O], 5[P], 63[C],
ARG302NE94748[C], 28[O], 18[N],
PRO303CD171[O],
ARG304NE55712[N], 16[O], 1[P], 26[C],
ARG304CZ52716[O], 1[P], 12[N], 23[C],
ARG304CD49722[C], 11[N], 16[O],
ARG304CG44720[C], 14[O], 10[N],
Total = 116



Download csv file of statistical distribution of contacts