Binding Site Information :
Doc...
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 :C2_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 C2_S1
Complex: C2E_A_4(4RNH) / Model_1(4RNH/A) = [8.3] Download1495.6122.69MSGLQEEYLQHQTKIEQLRLSIQYIRWYLVSLILLCLISAIIFFCYFTSYITNFIWSIGFTILTLTCLLFVPKLLTHYRDIHFIKKTDLVLQGICLASGILMGINIIVLHFSLPDTLISVSDVHILIALFITSAHIIGLTFLTQQPRYFYLLFIPSTVPLIIGQFTHSQITQLPFYFAYNLAFVATLLCAYATQRNYQKISQLLFKNKQLVQVAEQHTQWAEELCVQLQQEVNKSKDIEAQLQFNNHLLEQKVRERTYDLTKMNERLESHHHNLAFAHETAGIRPWDWDIEKQKLEITFFDQQKQTQNTPLHLKSILERIHPNDRKLFDERLKEHLEGKSDHFNITFRILRRNGSWRWIHDVGRVISRDPKTNKALRMVGMTRDIHQEKKDQEHLRLSAIVLEQAAEGIFILDEKLNYIEVNPYYEKLTGFSKSELLSQQLFNITINQKLQQQQFHDSITQQLLKTGEYMGQFDEKFTSGKSVYLWLHINAVKDEYNQIINYIGFARDLTEQKRQEQHLSYLKNYDSLTHLPNRFYYYNQLHQYLVNPSYSFKNLALIRINIDRFRAFNEFLNNDSGDELLKQFAQRLRLTNINAILVAYLNGDDFAIIYEISPIHPNIEQYCQNILQALNAPFYIDEQEYFITASIGVACFPEHGRQIDHLNNHAEQALSEAKRLGGNTISYYCNKTTNPYKTADLEQELRKAIQNDEFVVYYQPKINLNDKSIKGFEALIRWQHPEKGLVMPNMFIPFAERSSLISDIGKVVLDKVGKQLQEWKKAGYADVRVSVNIVAQQIHRGLLLSDLDEVLDTYHLDGSNLELEITESALLDNTDNVKKLLHSIKERNISIALDDFGTGYSSLAYLTEYPIDVLKIDQAFVSKIGDQKQEAIVNAMIAMGKSMGLKLVAEGVETEEQVIYLQKQQCDFLQGFFFSRPLHPNQILQYLQTNTHI
Complex: G_A_5(5MFU) / Model_17(5MFU/A) = [5.6] Download--MSGLQEEYLQHQTKIEQLRLSIQYIRWYLVSLILLCLISAIIFFCYFTSYITNFIWSIGFTILTLTCLLFVPKLLTHYRDIHFIKKTDLVLQGICLASGILMGINIIVLHFSLPDTLISVSDVHILIALFITSAHIIGLTFLTQQPRYFYLLFIPSTVPLIIGQFTHSQITQLPFYFAYNLAFVATLLCAYATQRNYQKISQLLFKNKQLVQVAEQHTQWAEELCVQLQQEVNKSKDIEAQLQFNNHLLEQKVRERTYDLTKMNERLESHHHNLAFAHETAGIRPWDWDIEKQKLEITFFDQQKQTQNTPLHLKSILERIHPNDRKLFDERLKEHLEGKSDHFNITFRILRRNGSWRWIHDVGRVISRDPKTNKALRMVGMTRDIHQEKKDQEHLRLSAIVLEQAAEGIFILDEKLNYIEVNPYYEKLTGFSKSELLSQQLFNITINQKLQQQQFHDSITQQLLKTGEYMGQFDEKFTSGKSVYLWLHINAVKDEYNQIINYIGFARDLTEQKRQEQHLSYLKNYDSLTHLPNRFYYYNQLHQYLVNPSYSFKNLALIRINIDRFRAFNEFLNNDSGDELLKQFAQRLRLTNINAILVAYLNGDDFAIIYEISPIHPNIEQYCQNILQALNAPFYIDEQEYFITASIGVACFPEHGRQIDHLNNHAEQALSEAKRLGGNTISYYCNKTTNPYKTADLEQELRKAIQNDEFVVYYQPKINLNDKSIKGFEALIRWQHPEKGLVMPNMFIPFAERSSLISDIGKVVLDKVGKQLQEWKKAGYADVRVSVNIVAQQIHRGLLLSDLDEVLDTYHLDGSNLELEITESALLDNTDNVKKLLHSIKERNISIALDDFGTGYSSLAYLTEYPIDVLKIDQAFVSKIGDQKQEAIVNAMIAMGKSMGLKLVAEGVETEEQVIYLQKQQCDFLQGFFFSRPLHPNQILQYLQTNTHI
Complex: G_A_4(5MFU) / Model_17(5MFU/A) = [3.7] Download--MSGLQEEYLQHQTKIEQLRLSIQYIRWYLVSLILLCLISAIIFFCYFTSYITNFIWSIGFTILTLTCLLFVPKLLTHYRDIHFIKKTDLVLQGICLASGILMGINIIVLHFSLPDTLISVSDVHILIALFITSAHIIGLTFLTQQPRYFYLLFIPSTVPLIIGQFTHSQITQLPFYFAYNLAFVATLLCAYATQRNYQKISQLLFKNKQLVQVAEQHTQWAEELCVQLQQEVNKSKDIEAQLQFNNHLLEQKVRERTYDLTKMNERLESHHHNLAFAHETAGIRPWDWDIEKQKLEITFFDQQKQTQNTPLHLKSILERIHPNDRKLFDERLKEHLEGKSDHFNITFRILRRNGSWRWIHDVGRVISRDPKTNKALRMVGMTRDIHQEKKDQEHLRLSAIVLEQAAEGIFILDEKLNYIEVNPYYEKLTGFSKSELLSQQLFNITINQKLQQQQFHDSITQQLLKTGEYMGQFDEKFTSGKSVYLWLHINAVKDEYNQIINYIGFARDLTEQKRQEQHLSYLKNYDSLTHLPNRFYYYNQLHQYLVNPSYSFKNLALIRINIDRFRAFNEFLNNDSGDELLKQFAQRLRLTNINAILVAYLNGDDFAIIYEISPIHPNIEQYCQNILQALNAPFYIDEQEYFITASIGVACFPEHGRQIDHLNNHAEQALSEAKRLGGNTISYYCNKTTNPYKTADLEQELRKAIQNDEFVVYYQPKINLNDKSIKGFEALIRWQHPEKGLVMPNMFIPFAERSSLISDIGKVVLDKVGKQLQEWKKAGYADVRVSVNIVAQQIHRGLLLSDLDEVLDTYHLDGSNLELEITESALLDNTDNVKKLLHSIKERNISIALDDFGTGYSSLAYLTEYPIDVLKIDQAFVSKIGDQKQEAIVNAMIAMGKSMGLKLVAEGVETEEQVIYLQKQQCDFLQGFFFSRPLHPNQILQYLQTNTHI
Consensus
[pKd Mean = 5.87]		-1495
(s=0)		22
(s=0)		MSGLQEEYLQHQTKIEQLRLSIQYIRWYLVSLILLCLISAIIFFCYFTSYITNFIWSIGFTILTLTCLLFVPKLLTHYRDIHFIKKTDLVLQGICLASGILMGINIIVLHFSLPDTLISVSDVHILIALFITSAHIIGLTFLTQQPRYFYLLFIPSTVPLIIGQFTHSQITQLPFYFAYNLAFVATLLCAYATQRNYQKISQLLFKNKQLVQVAEQHTQWAEELCVQLQQEVNKSKDIEAQLQFNNHLLEQKVRERTYDLTKMNERLESHHHNLAFAHETAGIRPWDWDIEKQKLEITFFDQQKQTQNTPLHLKSILERIHPNDRKLFDERLKEHLEGKSDHFNITFRILRRNGSWRWIHDVGRVISRDPKTNKALRMVGMTRDIHQEKKDQEHLRLSAIVLEQAAEGIFILDEKLNYIEVNPYYEKLTGFSKSELLSQQLFNITINQKLQQQQFHDSITQQLLKTGEYMGQFDEKFTSGKSVYLWLHINAVKDEYNQIINYIGFARDLTEQKRQEQHLSYLKNYDSLTHLPNRFYYYNQLHQYLVNPSYSFKNLALIRINIDRFRAFNEFLNNDSGDELLKQFAQRLRLTNINAILVAYLNGDDFAIIYEISPIHPNIEQYCQNILQALNAPFYIDEQEYFITASIGVACFPEHGRQIDHLNNHAEQALSEAKRLGGNTISYYCNKTTNPYKTADLEQELRKAIQNDEFVVYYQPKINLNDKSIKGFEALIRWQHPEKGLVMPNMFIPFAERSSLISDIGKVVLDKVGKQLQEWKKAGYADVRVSVNIVAQQIHRGLLLSDLDEVLDTYHLDGSNLELEITESALLDNTDNVKKLLHSIKERNISIALDDFGTGYSSLAYLTEYPIDVLKIDQAFVSKIGDQKQEAIVNAMIAMGKSMGLKLVAEGVETEEQVIYLQKQQCDFLQGFFFSRPLHPNQILQYLQTNTHI



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]
VAL712CG2332[O], 1[C],
VAL712CG1232[O],
TYR713CD1131[O],
TYR713CG232[O],
TYR713CD2232[O],
GLN715OE14934[P], 17[O], 8[N], 20[C],
GLN715NE23738[N], 20[C], 9[O],
GLN715CD41320[C], 8[N], 13[O],
GLN715CG2937[O], 4[N], 18[C],
LYS717NZ131[O],
GLU729CD5535[N], 26[C], 21[O], 3[P],
GLU729OE15238[N], 20[C], 21[O], 3[P],
GLU729OE26534[P], 24[O], 29[C], 8[N],
GLU729CG32311[O], 2[P], 15[C], 4[N],
LEU731CD27434[P], 27[O], 11[N], 32[C],
LEU731CD16634[P], 22[O], 32[C], 8[N],
LEU731CG6834[P], 26[O], 8[N], 30[C],
ILE732CG232314[C], 10[N], 7[O], 1[P],
ILE732CD12232[O], 10[C], 10[N],
ILE732CG123311[C], 9[N], 3[O],
ARG733NE2232[N], 8[C], 2[P], 10[O],
ARG733CZ42315[O], 2[P], 5[N], 20[C],
ARG733CD1832[P], 10[O], 4[C], 2[N],
ARG733CG1032[C], 2[N], 2[P], 4[O],
MET743CG1136[O], 2[P], 3[C],
MET743CE2832[N], 13[C], 2[P], 11[O],
MET743SD1634[C], 2[P], 10[O],
PRO744CD45315[O], 2[P], 22[C], 6[N],
PRO744CG57327[C], 9[N], 2[P], 19[O],
ASN745ND23732[P], 16[O], 17[C], 2[N],
ASN745OD146317[O], 3[P], 20[C], 6[N],
ASN745CG3432[N], 16[C], 14[O], 2[P],
PHE747CE21231[O], 6[C], 5[N],
PHE747CZ1938[C], 7[N], 4[O],
PHE747CE11633[O], 7[C], 6[N],
ILE748CG13939[O], 20[C], 10[N],
ILE748CG23336[O], 17[C], 10[N],
ILE748CD13536[O], 10[N], 19[C],
PRO749CD532[O], 2[C], 1[N],
PRO749CG131[O],
GLU752OE1433[N], 1[C],
GLU752OE2935[N], 4[C],
GLU752CD735[N], 2[C],
GLU752CG531[C], 4[N],
ILE757CG11035[C], 4[N], 1[O],
ILE757CD11435[C], 8[N], 1[O],
ILE757CG2833[C], 5[N],
ILE760CG21035[C], 3[N], 2[O],
VAL764CG21235[N], 5[C], 2[O],
VAL764CG11232[O], 5[C], 5[N],
VAL768CG2131[O],
VAL787CG11235[C], 5[N], 2[O],
VAL787CG2733[C], 2[N], 2[O],
ASN788OD153310[N], 24[C], 2[P], 17[O],
ASN788ND261326[C], 10[N], 21[O], 4[P],
ASN788CG5532[P], 18[O], 25[C], 10[N],
ILE789CG2732[C], 5[N],
ILE789CD1631[O], 3[N], 2[C],
ILE789CG1732[C], 5[N],
VAL790CG2836[N], 2[C],
VAL790CG121310[C], 8[N], 3[O],
GLN793NE21132[O], 4[C], 5[N],
GLN793OE11332[O], 5[N], 6[C],
GLN793CG433[N], 1[C],
GLN793CD931[O], 5[N], 3[C],
GLU820CG832[P], 6[O],
GLU820OE21232[C], 2[P], 8[O],
GLU820OE12934[N], 12[C], 2[P], 11[O],
GLU820CD1732[P], 10[O], 5[C],
THR822OG1836[O], 1[P], 1[C],
THR822CG21131[N], 2[C], 1[P], 7[O],
ASP850CG23310[C], 11[O], 2[P],
ASP850OD12339[C], 2[P], 12[O],
ASP850OD236317[C], 4[N], 13[O], 2[P],
ASP851OD227312[C], 2[P], 13[O],
ASP851CG24311[O], 2[P], 11[C],
ASP851OD127312[C], 13[O], 2[P],
LYS871NZ1132[C], 2[P], 7[O],
LYS871CE1232[P], 8[O], 2[C],
LYS871CG531[P], 4[O],
LYS871CD832[P], 6[O],
ASP873OD11633[C], 11[O], 2[P],
ASP873OD2333[O],
ASP873CG534[O], 1[P],
GLN874CD50316[O], 2[P], 10[N], 22[C],
GLN874CG4232[P], 10[O], 10[N], 20[C],
GLN874OE153317[O], 3[P], 23[C], 10[N],
GLN874NE252317[O], 3[P], 22[C], 10[N],
VAL877CG1532[O], 1[N], 2[C],
SER878OG1136[N], 4[C], 1[O],
GLU906CG32311[O], 2[P], 6[N], 13[C],
GLU906OE144315[O], 2[P], 6[N], 21[C],
GLU906CD3632[P], 12[O], 5[N], 17[C],
GLU906OE230313[O], 2[P], 12[C], 3[N],
VAL908CG1331[C], 2[O],
VAL908CG2532[C], 1[N], 2[O],
GLU909CD2232[O], 10[C], 10[N],
GLU909OE11638[C], 6[N], 2[O],
GLU909CG2232[O], 10[N], 10[C],
GLU909OE224312[C], 10[N], 2[O],
GLN913NE2331[N], 2[O],
GLN913OE1632[O], 2[C], 2[N],
GLN913CD232[O],
GLN926CD3038[O], 2[P], 16[C], 4[N],
GLN926CG2638[O], 4[N], 14[C],
GLN926OE11732[P], 7[O], 5[C], 3[N],
GLN926NE237314[O], 2[P], 4[N], 17[C],
PHE928CD229310[N], 14[C], 5[O],
PHE928CE13739[O], 18[C], 10[N],
PHE928CD132316[C], 10[N], 6[O],
PHE928CZ3638[O], 10[N], 18[C],
PHE928CG30314[C], 10[N], 6[O],
PHE928CE23036[O], 14[C], 10[N],
PHE929CG131[O],
PHE930CD1331[N], 2[O],
ARG932CZ1533[O], 7[C], 5[N],
ARG932NE432[O], 1[N], 1[C],
ARG932CG1934[O], 9[C], 6[N],
PRO933CD3932[P], 11[O], 18[C], 8[N],
PRO933CG39313[O], 2[P], 6[N], 18[C],
Total = 120



Download csv file of statistical distribution of contacts