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 :C11_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 C11_S1
Complex: GDP_A_4(1QF4) / Model_7(1QF4/A) = [8.1] Download764.3216.28MGKNVVVLGTQWGDEGKGKIVDLLTDQAAAVVRYQGGHNAGHTLVVGGKKTVLHLIPSGILREKVLCLIGNGVVLSPAALIEEMGILEAEGVPVKERLRISPNCPLILPNHIALDQAREKKRGNAKIGTTGRGIGPAYEDKVARRAVRVADLVRGGAALEEKLTEMLELHNFQLTQFYGVEAVKFEDVLALCNQWREVLAPLVIDVTKVLHDYRKEGKAVMFEGAQGSLLDIDHGTYPYVTSSNTTAGGVSSGSGMGPLHLDYVLGITKAYTTRVGAGPFPTELVYDAASDSGDPIGKHLGTVGHEFGASTGRQRRCGWFDAEILRRSVDVNSLSGICLTKLDVLDGLEEVKICVGYENTDSGCVGSSDAVSFECLKPIYETMPGWSESTVGLTSIDQLPANALAYVKRIEQLIECPIDIVSTGPDRAETIILRHPFSA
Complex: RPD_A_5(1QF4) / Model_7(1QF4/A) = [7.6] Download645.4110.33MGKNVVVLGTQWGDEGKGKIVDLLTDQAAAVVRYQGGHNAGHTLVVGGKKTVLHLIPSGILREKVLCLIGNGVVLSPAALIEEMGILEAEGVPVKERLRISPNCPLILPNHIALDQAREKKRGNAKIGTTGRGIGPAYEDKVARRAVRVADLVRGGAALEEKLTEMLELHNFQLTQFYGVEAVKFEDVLALCNQWREVLAPLVIDVTKVLHDYRKEGKAVMFEGAQGSLLDIDHGTYPYVTSSNTTAGGVSSGSGMGPLHLDYVLGITKAYTTRVGAGPFPTELVYDAASDSGDPIGKHLGTVGHEFGASTGRQRRCGWFDAEILRRSVDVNSLSGICLTKLDVLDGLEEVKICVGYENTDSGCVGSSDAVSFECLKPIYETMPGWSESTVGLTSIDQLPANALAYVKRIEQLIECPIDIVSTGPDRAETIILRHPFSA
Complex: RPL_A_5(1QF5) / Model_63(1QF5/A) = [7.3] Download746.9412.21MGKNVVVLGTQWGDEGKGKIVDLLTDQAAAVVRYQGGHNAGHTLVVGGKKTVLHLIPSGILREKVLCLIGNGVVLSPAALIEEMGILEAEGVPVKERLRISPNCPLILPNHIALDQAREKKRGNAKIGTTGRGIGPAYEDKVARRAVRVADLVRGGAALEEKLTEMLELHNFQLTQFYGVEAVKFEDVLALCNQWREVLAPLVIDVTKVLHDYRKEGKAVMFEGAQGSLLDIDHGTYPYVTSSNTTAGGVSSGSGMGPLHLDYVLGITKAYTTRVGAGPFPTELVYDAASDSGDPIGKHLGTVGHEFGASTGRQRRCGWFDAEILRRSVDVNSLSGICLTKLDVLDGLEEVKICVGYENTDSGCVGSSDAVSFECLKPIYETMPGWSESTVGLTSIDQLPANALAYVKRIEQLIECPIDIVSTGPDRAETIILRHPFSA
Complex: 2SA_A_5(1MEZ) / Model_39(1MEZ/A) = [6.7] Download705.2811.03MGKNVVVLGTQWGDEGKGKIVDLLTDQAAAVVRYQGGHNAGHTLVVGGKKTVLHLIPSGILREKVLCLIGNGVVLSPAALIEEMGILEAEGVPVKERLRISPNCPLILPNHIALDQAREKKRGNAKIGTTGRGIGPAYEDKVARRAVRVADLVRGGAALEEKLTEMLELHNFQLTQFYGVEAVKFEDVLALCNQWREVLAPLVIDVTKVLHDYRKEGKAVMFEGAQGSLLDIDHGTYPYVTSSNTTAGGVSSGSGMGPLHLDYVLGITKAYTTRVGAGPFPTELVYDAASDSGDPIGKHLGTVGHEFGASTGRQRRCGWFDAEILRRSVDVNSLSGICLTKLDVLDGLEEVKICVGYENTDSGCVGSSDAVSFECLKPIYETMPGWSESTVGLTSIDQLPANALAYVKRIEQLIECPIDIVSTGPDRAETIILRHPFSA
Complex: GDP_D_4(1DJ3) / Model_68(1DJ3/B) = [6.4] Download898.9410.93MGKNVVVLGTQWGDEGKGKIVDLLTDQAAAVVRYQGGHNAGHTLVVGGKKTVLHLIPSGILREKVLCLIGNGVVLSPAALIEEMGILEAEGVPVKERLRISPNCPLILPNHIALDQAREKKRGNAKIGTTGRGIGPAYEDKVARRAVRVADLVRGGAALEEKLTEMLELHNFQLTQFYGVEAVKFEDVLALCNQWREVLAPLVIDVTKVLHDYRKEGKAVMFEGAQGSLLDIDHGTYPYVTSSNTTAGGVSSGSGMGPLHLDYVLGITKAYTTRVGAGPFPTELVYDAASDSGDPIGKHLGTVGHEFGASTGRQRRCGWFDAEILRRSVDVNSLSGICLTKLDVLDGLEEVKICVGYENTDSGCVGSSDAVSFECLKPIYETMPGWSESTVGLTSIDQLPANALAYVKRIEQLIECPIDIVSTGPDRAETIILRHPFSA
Consensus
[pKd Mean = 7.22]		-752
(s=84)		12
(s=2)		MGKNVVVLGTQWGDEGKGKIVDLLTDQAAAVVRYQGGHNAGHTLVVGGKKTVLHLIPSGILREKVLCLIGNGVVLSPAALIEEMGILEAEGVPVKERLRISPNCPLILPNHIALDQAREKKRGNAKIGTTGRGIGPAYEDKVARRAVRVADLVRGGAALEEKLTEMLELHNFQLTQFYGVEAVKFEDVLALCNQWREVLAPLVIDVTKVLHDYRKEGKAVMFEGAQGSLLDIDHGTYPYVTSSNTTAGGVSSGSGMGPLHLDYVLGITKAYTTRVGAGPFPTELVYDAASDSGDPIGKHLGTVGHEFGASTGRQRRCGWFDAEILRRSVDVNSLSGICLTKLDVLDGLEEVKICVGYENTDSGCVGSSDAVSFECLKPIYETMPGWSESTVGLTSIDQLPANALAYVKRIEQLIECPIDIVSTGPDRAETIILRHPFSA



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]
TRP12CA3111[N], 2[C],
TRP12C24119[N], 5[O], 10[C],
TRP12CB4111[N], 3[O],
TRP12O441125[C], 13[N], 6[O],
GLY13CA41111[S], 14[O], 2[P], 8[N], 16[C],
GLY13C401110[C], 6[P], 7[N], 1[S], 16[O],
GLY13O18113[N], 3[P], 8[O], 4[C],
GLY13N16117[N], 1[P], 2[O], 6[C],
ASP14C41118[P], 27[O], 6[C],
ASP14O33117[C], 20[O], 6[P],
ASP14CA611111[C], 4[N], 10[P], 36[O],
ASP14CB591129[O], 8[P], 6[N], 16[C],
ASP14CG751128[C], 8[P], 12[N], 1[S], 26[O],
ASP14OD1801130[O], 1[S], 12[N], 7[P], 30[C],
ASP14OD2791130[C], 5[P], 15[N], 1[S], 28[O],
ASP14N611116[C], 30[O], 1[S], 6[N], 8[P],
GLU15OE22112[O],
GLU15C401120[O], 8[P], 3[N], 9[C],
GLU15CG4114[O],
GLU15CB6114[O], 2[P],
GLU15OE116116[P], 10[O],
GLU15CA19112[C], 13[O], 4[P],
GLU15CD6116[O],
GLU15N34114[C], 7[P], 23[O],
GLU15O381118[O], 3[P], 6[N], 11[C],
GLY16CA731131[O], 8[P], 8[N], 26[C],
GLY16C471111[C], 24[O], 8[P], 4[N],
GLY16N581115[C], 4[N], 8[P], 31[O],
GLY16O37117[C], 6[N], 7[P], 17[O],
LYS17C231116[O], 6[P], 1[C],
LYS17CE28117[P], 19[O], 1[S], 1[C],
LYS17CG221117[O], 4[P], 1[C],
LYS17N36118[P], 24[O], 4[C],
LYS17CA27116[P], 20[O], 1[C],
LYS17NZ371126[O], 1[S], 1[N], 7[P], 2[C],
LYS17CD20111[C], 14[O], 5[P],
LYS17O9111[P], 8[O],
LYS17CB251119[O], 5[P], 1[C],
GLY18CA26111[C], 19[O], 6[P],
GLY18O5115[O],
GLY18N32112[C], 7[P], 23[O],
GLY18C11119[O], 2[P],
LYS19CB251112[C], 4[O], 1[P], 8[N],
LYS19C1111[O],
LYS19N18113[C], 12[O], 3[P],
LYS19CD331118[C], 8[N], 7[O],
LYS19CG17118[C], 2[O], 7[N],
LYS19CA9114[C], 1[P], 4[O],
LYS19NZ291116[C], 4[O], 9[N],
LYS19CE22115[N], 4[O], 13[C],
ILE20N1111[O],
ILE20CD11111[N],
ASN39OD1351112[C], 1[P], 7[N], 1[S], 14[O],
ASN39CA381113[C], 15[O], 1[S], 9[N],
ASN39CG611115[C], 24[O], 1[S], 14[N], 7[P],
ASN39ND2801123[C], 36[O], 7[P], 14[N],
ASN39C571129[C], 1[S], 11[O], 1[P], 15[N],
ASN39O801118[O], 1[S], 23[N], 2[P], 36[C],
ASN39CB691119[C], 15[N], 6[P], 28[O], 1[S],
ASN39N7113[N], 4[O],
ALA40O22117[C], 9[O], 1[S], 3[N], 2[P],
ALA40CB22111[S], 12[O], 2[P], 4[N], 3[C],
ALA40CA441114[O], 1[S], 9[N], 1[P], 19[C],
ALA40N331117[C], 6[N], 1[P], 8[O], 1[S],
ALA40C36112[P], 5[N], 1[S], 15[O], 13[C],
GLY41C401123[O], 1[S], 4[N], 7[P], 5[C],
GLY41N41113[P], 7[N], 1[S], 17[O], 13[C],
GLY41O56111[S], 35[O], 9[P], 5[N], 6[C],
GLY41CA30111[S], 15[O], 4[P], 4[N], 6[C],
HIS42CD222114[P], 17[O], 1[S],
HIS42ND116113[P], 13[O],
HIS42NE216113[P], 12[O], 1[S],
HIS42CG181114[O], 4[P],
HIS42CE1161112[O], 4[P],
HIS42O5111[P], 4[O],
HIS42CA27111[C], 22[O], 4[P],
HIS42C14114[P], 10[O],
HIS42CB21111[C], 16[O], 4[P],
HIS42N251116[O], 6[P], 3[C],
THR43C15112[P], 9[O], 4[C],
THR43OG122118[C], 2[P], 12[O],
THR43O271112[O], 2[P], 1[N], 12[C],
THR43N29114[P], 18[O], 7[C],
THR43CA19115[C], 2[P], 12[O],
THR43CG221113[P], 10[O], 8[C],
THR43CB251110[C], 2[P], 13[O],
LEU44CA2112[O],
LEU44C2112[O],
LEU44N5111[C], 4[O],
VAL45CG22111[O], 1[C],
VAL45CG11111[O],
VAL45CB1111[O],
VAL45N1111[O],
HIS54CE11111[O],
HIS54ND11111[O],
ASP115OD1161114[O], 2[P],
ASP115OD2201114[O], 6[P],
ASP115CG131113[O],
ILE127CG2541127[C], 26[O], 1[P],
ILE127O381125[C], 13[O],
ILE127CA10114[O], 6[C],
ILE127CD12112[C],
ILE127CB28117[O], 21[C],
ILE127CG11111[C],
ILE127C27117[O], 20[C],
GLY128N251117[C], 8[O],
GLY128O881138[C], 6[N], 6[P], 38[O],
GLY128CA371116[O], 21[C],
GLY128C671133[C], 4[P], 30[O],
THR129C821132[C], 3[N], 7[P], 40[O],
THR129CA931149[O], 7[P], 3[N], 34[C],
THR129N721129[C], 7[P], 36[O],
THR129CG2521128[O], 7[P], 17[C],
THR129CB61117[P], 29[O], 25[C],
THR129OG1481117[C], 7[P], 24[O],
THR129O43115[P], 21[O], 17[C],
THR130C16116[P], 10[O],
THR130CG21491150[O], 7[P], 25[N], 67[C],
THR130O7117[O],
THR130CA591117[C], 31[O], 4[N], 7[P],
THR130CB851129[C], 38[O], 11[N], 7[P],
THR130OG1701118[C], 35[O], 10[N], 7[P],
THR130N991143[O], 7[P], 8[N], 41[C],
GLY131C6116[O],
GLY131CA7117[O],
GLY131N181112[O], 6[P],
ARG132N7117[O],
ARG132CD1111[O],
ARG132CG5115[O],
ARG132CA7117[O],
ARG132CB7117[O],
ARG132O1111[O],
ARG132C2112[O],
ARG132CZ1111[O],
GLY133N5115[O],
ILE134O1111[O],
ILE134CG2281121[O], 7[P],
ILE134CD1131113[O],
ILE134C9119[O],
ILE134CB29117[P], 22[O],
ILE134N20116[P], 14[O],
ILE134CA28117[P], 21[O],
ILE134CG1281121[O], 7[P],
GLY135N261119[O], 7[P],
GLY135CA7117[O],
GLU223OE21111[O],
GLY224O2112[O],
GLY224C1111[O],
ALA225CA7111[P], 5[O], 1[S],
ALA225C10111[C], 1[S], 6[O], 1[P], 1[N],
ALA225CB5111[N], 1[P], 2[O], 1[S],
ALA225O11111[C], 1[S], 6[O], 3[P],
ALA225N1111[O],
GLN226NE281112[P], 24[N], 1[S], 17[O], 37[C],
GLN226N32112[P], 7[N], 1[S], 10[O], 12[C],
GLN226OE1551122[C], 15[O], 1[S], 15[N], 2[P],
GLN226O9111[N], 2[P], 5[O], 1[S],
GLN226CG851136[C], 22[N], 1[P], 25[O], 1[S],
GLN226CB551125[C], 1[S], 8[O], 1[P], 20[N],
GLN226CA561117[N], 2[P], 10[O], 1[S], 26[C],
GLN226CD711122[N], 2[P], 14[O], 1[S], 32[C],
GLN226C17117[C], 3[N], 1[P], 5[O], 1[S],
GLY227N8111[P], 1[N], 1[S], 3[O], 2[C],
LEU230CA1111[O],
LEU230CG601116[O], 12[N], 32[C],
LEU230CD2811147[C], 20[O], 14[N],
LEU230O2112[O],
LEU230CD11001154[C], 23[O], 1[S], 22[N],
LEU230CB331117[C], 6[N], 10[O],
PRO238O1111[C],
TYR239CB2112[O],
TYR239C271115[C], 12[O],
TYR239O20118[C], 12[O],
TYR239CA7113[O], 4[C],
VAL240CA331121[C], 12[O],
VAL240N321119[C], 13[O],
VAL240CB1111[C],
VAL240O711130[C], 7[P], 34[O],
VAL240C68117[P], 34[O], 27[C],
THR241CB851113[N], 7[P], 33[O], 32[C],
THR241C39117[P], 22[O], 10[C],
THR241CA641125[C], 4[N], 7[P], 28[O],
THR241N661129[O], 2[N], 7[P], 28[C],
THR241O1111[C],
THR241OG1871130[C], 38[O], 12[N], 7[P],
THR241CG229115[N], 2[P], 14[O], 8[C],
SER242CA5115[O],
SER242CB7117[O],
SER242OG8118[O],
SER242N281115[O], 7[P], 6[C],
ILE267CG22112[O],
LYS269CE1111[C],
LYS269NZ2111[O], 1[C],
ARG274CG2112[O],
ARG274NE4114[O],
ARG274C2112[O],
ARG274CZ4114[O],
VAL275N26114[N], 14[O], 8[C],
VAL275C601121[O], 8[N], 31[C],
VAL275O961127[O], 16[N], 53[C],
VAL275CB611112[N], 21[O], 28[C],
VAL275CG2501123[C], 18[O], 9[N],
VAL275CA371119[O], 4[N], 14[C],
VAL275CG1771141[C], 14[N], 22[O],
GLY276O8118[O],
GLY276N351117[O], 2[N], 16[C],
GLY276C22118[C], 14[O],
GLY276CA371119[C], 18[O],
ALA277O11114[C], 7[O],
ALA277C7117[O],
ALA277CA7117[O],
ALA277N16119[O], 7[C],
VAL303O4114[N],
VAL303C1111[N],
GLY304C1111[N],
GLY304O16114[C], 7[N], 5[O],
GLY304CA3113[N],
HIS305CD24111[C], 3[N],
HIS305NE21111[N],
HIS305O1111[O],
GLU306OE14112[O], 2[C],
GLU306OE22112[O],
PHE307C10112[N], 7[O], 1[C],
PHE307O10112[N], 7[O], 1[C],
GLY308C24112[N], 12[O], 10[C],
GLY308O18112[N], 9[O], 7[C],
GLY308CA261112[C], 2[N], 12[O],
GLY308N16116[C], 8[O], 2[N],
ALA309CA23119[C], 11[O], 1[P], 2[N],
ALA309C21119[O], 2[N], 10[C],
ALA309CB24116[C], 1[P], 2[N], 15[O],
ALA309N261112[C], 12[O], 2[N],
ALA309O12117[O], 2[N], 3[C],
SER310N27113[N], 12[O], 12[C],
SER310O6113[O], 3[C],
SER310C16112[N], 6[O], 8[C],
SER310OG281115[C], 10[O], 3[N],
SER310CA251110[C], 3[N], 12[O],
SER310CB29113[N], 12[O], 14[C],
THR311OG120119[O], 2[N], 9[C],
THR311CA11116[O], 5[C],
THR311N21112[N], 9[O], 10[C],
THR311CB12116[C], 6[O],
THR311CG213117[C], 6[O],
THR311O3113[O],
THR311C9113[C], 6[O],
GLY312CA4114[O],
GLY312C3113[O],
GLY312N9113[C], 6[O],
ARG313O6111[C], 5[O],
ARG313CZ501126[C], 3[N], 21[O],
ARG313NE241111[C], 13[O],
ARG313N8115[O], 3[C],
ARG313CG7112[C], 5[O],
ARG313CD9116[O], 3[C],
ARG313C1111[O],
ARG313CA4114[O],
ARG313CB8113[C], 5[O],
ARG315CG6114[O], 1[N], 1[C],
ARG315CD7112[C], 2[N], 3[O],
ARG315CZ201110[O], 1[P], 4[N], 5[C],
ARG315NE14114[C], 8[O], 2[N],
LEU339O4114[O],
THR340CG2201112[C], 4[N], 4[O],
THR340CB301110[N], 4[O], 16[C],
THR340O10114[O], 2[N], 4[C],
THR340C21119[C], 8[N], 4[O],
THR340OG1201112[C], 4[N], 4[O],
THR340N4114[O],
THR340CA19118[C], 4[O], 7[N],
LYS341CB431119[C], 19[N], 5[O],
LYS341CE68118[O], 20[N], 40[C],
LYS341C23118[N], 4[O], 11[C],
LYS341NZ551114[N], 9[O], 32[C],
LYS341CA361116[C], 4[O], 16[N],
LYS341CD57118[O], 20[N], 29[C],
LYS341O17117[N], 4[O], 6[C],
LYS341CG541120[N], 8[O], 26[C],
LYS341N431119[N], 4[O], 20[C],
LEU342N12114[C], 4[N], 4[O],
ASP343CA8118[N],
ASP343C3113[N],
ASP343N10117[N], 3[O],
ASP343CB16113[O], 8[N], 5[C],
ASP343OD1301112[N], 4[O], 14[C],
ASP343OD2311115[C], 12[N], 4[O],
ASP343CG27114[O], 12[N], 11[C],
VAL344CG2151111[N], 4[C],
VAL344N8117[N], 1[C],
VAL344CB4113[N], 1[C],
VAL344CA3113[N],
VAL391CG21111[N],
VAL421C2112[O],
VAL421O2112[O],
SER422O201110[C], 4[O], 6[N],
SER422CB271115[C], 4[O], 8[N],
SER422N6112[C], 4[O],
SER422C20119[C], 7[N], 4[O],
SER422CA17116[N], 4[O], 7[C],
SER422OG28119[N], 4[O], 15[C],
THR423OG11111[O],
THR423O20118[N], 4[O], 8[C],
THR423CG21111[O],
THR423CA16114[O], 5[N], 7[C],
THR423N17118[C], 4[O], 5[N],
THR423C24118[N], 4[O], 12[C],
THR423CB4114[O],
GLY424C491120[N], 5[O], 24[C],
GLY424CA401119[N], 4[O], 17[C],
GLY424N36114[O], 16[N], 16[C],
GLY424O491124[C], 20[N], 5[O],
PRO425CG421115[N], 4[O], 23[C],
PRO425CA591129[C], 10[O], 20[N],
PRO425CB611111[O], 19[N], 31[C],
PRO425CD491119[N], 7[O], 23[C],
PRO425C441126[C], 14[N], 4[O],
PRO425O311119[C], 4[O], 8[N],
PRO425N56118[O], 20[N], 28[C],
ASP426N10112[N], 3[O], 5[C],
GLU429C2112[O],
GLU429CB2112[O],
GLU429O7114[O], 3[C],
Total = 322



Download csv file of statistical distribution of contacts