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 :C3_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 C3_S1
Complex: G2P_A_3(1W5F) / Model_58(1W5F/A) = [8.1] Download1058.3710.20MASFEFIEDELNDGNGQARFTVFGVGGGGGNAVQHMVQSDIQGVKFVCANTDKQALDCMNAPFKIQLGEQSTRGLGAGANPEVGQVAAEESREIIRQHLEGTDMVFVTAGMGGGTGTGAAPVVAEVAKEMGILTVGVVTTPFNFEGRRRQKSAERGIEALEAHVDSLIIIPNQRLLSVYGDISMKDAYKKADDVLLNAVRSIFDLVVNRGHINLDFADLKTAMSTRGYAMMGAGLGRGEDRARQAAEQAIRSPLLDNVNIINAKGVLINITGGDDITLRETEIITDVVNQIVDLDEGEIFYGTVFDPDARDELRVTVIATGLTRNAADAEPRTRNTVSHTSTQSVDEDDVPAINKRQNAENDVNNAPSSTPRSSPMSIQDYLKNQQRK
Complex: GDP_A_2(4M8I) / Model_78(4M8I/A) = [8.1] Download1009.3311.65MASFEFIEDELNDGNGQARFTVFGVGGGGGNAVQHMVQSDIQGVKFVCANTDKQALDCMNAPFKIQLGEQSTRGLGAGANPEVGQVAAEESREIIRQHLEGTDMVFVTAGMGGGTGTGAAPVVAEVAKEMGILTVGVVTTPFNFEGRRRQKSAERGIEALEAHVDSLIIIPNQRLLSVYGDISMKDAYKKADDVLLNAVRSIFDLVVNRGHINLDFADLKTAMSTRGYAMMGAGLGRGEDRARQAAEQAIRSPLLDNVNIINAKGVLINITGGDDITLRETEIITDVVNQIVDLDEGEIFYGTVFDPDARDELRVTVIATGLTRNAADAEPRTRNTVSHTSTQSVDEDDVPAINKRQNAENDVNNAPSSTPRSSPMSIQDYLKNQQRK
Complex: GSP_A_3(2Q1Y) / Model_79(2Q1Y/A) = [7.8] Download1248.0912.03MASFEFIEDELNDGNGQARFTVFGVGGGGGNAVQHMVQSDIQGVKFVCANTDKQALDCMNAPFKIQLGEQSTRGLGAGANPEVGQVAAEESREIIRQHLEGTDMVFVTAGMGGGTGTGAAPVVAEVAKEMGILTVGVVTTPFNFEGRRRQKSAERGIEALEAHVDSLIIIPNQRLLSVYGDISMKDAYKKADDVLLNAVRSIFDLVVNRGHINLDFADLKTAMSTRGYAMMGAGLGRGEDRARQAAEQAIRSPLLDNVNIINAKGVLINITGGDDITLRETEIITDVVNQIVDLDEGEIFYGTVFDPDARDELRVTVIATGLTRNAADAEPRTRNTVSHTSTQSVDEDDVPAINKRQNAENDVNNAPSSTPRSSPMSIQDYLKNQQRK
Complex: GTP_A_3(1W5A) / Model_72(1W5A/A) = [6.2] Download1301.6311.32MASFEFIEDELNDGNGQARFTVFGVGGGGGNAVQHMVQSDIQGVKFVCANTDKQALDCMNAPFKIQLGEQSTRGLGAGANPEVGQVAAEESREIIRQHLEGTDMVFVTAGMGGGTGTGAAPVVAEVAKEMGILTVGVVTTPFNFEGRRRQKSAERGIEALEAHVDSLIIIPNQRLLSVYGDISMKDAYKKADDVLLNAVRSIFDLVVNRGHINLDFADLKTAMSTRGYAMMGAGLGRGEDRARQAAEQAIRSPLLDNVNIINAKGVLINITGGDDITLRETEIITDVVNQIVDLDEGEIFYGTVFDPDARDELRVTVIATGLTRNAADAEPRTRNTVSHTSTQSVDEDDVPAINKRQNAENDVNNAPSSTPRSSPMSIQDYLKNQQRK
Complex: CIT_A_2(2VXY) / Model_76(2VXY/A) = [3.3] Download632.9810.16MASFEFIEDELNDGNGQARFTVFGVGGGGGNAVQHMVQSDIQGVKFVCANTDKQALDCMNAPFKIQLGEQSTRGLGAGANPEVGQVAAEESREIIRQHLEGTDMVFVTAGMGGGTGTGAAPVVAEVAKEMGILTVGVVTTPFNFEGRRRQKSAERGIEALEAHVDSLIIIPNQRLLSVYGDISMKDAYKKADDVLLNAVRSIFDLVVNRGHINLDFADLKTAMSTRGYAMMGAGLGRGEDRARQAAEQAIRSPLLDNVNIINAKGVLINITGGDDITLRETEIITDVVNQIVDLDEGEIFYGTVFDPDARDELRVTVIATGLTRNAADAEPRTRNTVSHTSTQSVDEDDVPAINKRQNAENDVNNAPSSTPRSSPMSIQDYLKNQQRK
Consensus
[pKd Mean = 6.70]		-1050
(s=235)		11
(s=0)		MASFEFIEDELNDGNGQARFTVFGVGGGGGNAVQHMVQSDIQGVKFVCANTDKQALDCMNAPFKIQLGEQSTRGLGAGANPEVGQVAAEESREIIRQHLEGTDMVFVTAGMGGGTGTGAAPVVAEVAKEMGILTVGVVTTPFNFEGRRRQKSAERGIEALEAHVDSLIIIPNQRLLSVYGDISMKDAYKKADDVLLNAVRSIFDLVVNRGHINLDFADLKTAMSTRGYAMMGAGLGRGEDRARQAAEQAIRSPLLDNVNIINAKGVLINITGGDDITLRETEIITDVVNQIVDLDEGEIFYGTVFDPDARDELRVTVIATGLTRNAADAEPRTRNTVSHTSTQSVDEDDVPAINKRQNAENDVNNAPSSTPRSSPMSIQDYLKNQQRK



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]
VAL25CG12051[C], 4[P], 15[O],
VAL25CB16513[O], 2[P], 1[C],
VAL25O5159[C], 8[P], 34[O],
VAL25CG2151[O],
VAL25CA1951[C], 4[P], 14[O],
VAL25C39527[O], 8[P], 4[C],
VAL25N10510[O],
GLY26O58534[O], 3[N], 13[C], 8[P],
GLY26CA6451[S], 41[O], 11[C], 11[P],
GLY26C7351[S], 3[N], 41[O], 11[P], 17[C],
GLY26N5157[C], 11[P], 33[O],
GLY27O92532[C], 8[P], 19[N], 33[O],
GLY27CA10951[S], 39[C], 11[P], 44[O], 14[N],
GLY27N100547[O], 10[N], 31[C], 11[P], 1[S],
GLY27C107540[O], 19[N], 39[C], 8[P], 1[S],
GLY28C9658[P], 36[C], 20[N], 32[O],
GLY28CA109538[O], 20[N], 43[C], 8[P],
GLY28O72521[O], 20[N], 4[P], 27[C],
GLY28N115542[O], 19[N], 8[P], 45[C], 1[S],
GLY29N95533[O], 19[N], 8[P], 35[C],
GLY29CA5755[P], 14[C], 13[N], 25[O],
GLY29O1253[O], 5[N], 4[C],
GLY29C2558[C], 1[P], 7[N], 9[O],
GLY30O552[N], 3[O],
GLY30N3558[C], 4[P], 6[N], 17[O],
GLY30CA651[N], 5[O],
GLY30C1455[O], 4[N], 5[C],
ASN31CG49518[N], 10[O], 2[P], 19[C],
ASN31OD136511[N], 9[O], 15[C], 1[P],
ASN31ND259523[C], 3[P], 20[N], 13[O],
ASN31CA3255[O], 12[N], 15[C],
ASN31N3559[O], 12[N], 14[C],
ASN31O1957[C], 8[N], 4[O],
ASN31C2654[O], 10[N], 12[C],
ASN31CB51511[O], 20[N], 20[C],
ALA32C754[N], 1[O], 2[C],
ALA32CB2553[O], 10[N], 12[C],
ALA32CA24512[C], 9[N], 3[O],
ALA32O454[N],
ALA32N2954[O], 11[N], 14[C],
VAL33N551[C], 1[O], 3[N],
HIS35NE21053[C], 4[N], 3[O],
HIS35CE1752[O], 2[N], 3[C],
HIS35CG551[C], 2[O], 2[N],
HIS35CB352[N], 1[O],
HIS35ND1652[O], 2[N], 2[C],
HIS35CD2953[O], 4[N], 2[C],
ALA49O13510[O], 3[P],
ALA49C252[O],
ASN50N252[O],
ASN50ND25051[S], 32[O], 6[C], 11[P],
ASN50CB1851[C], 4[P], 13[O],
ASN50CA1553[P], 12[O],
ASN50C858[O],
ASN50OD15557[C], 11[P], 36[O], 1[S],
ASN50CG4851[S], 30[O], 6[C], 11[P],
THR51N29519[O], 7[P], 2[C], 1[S],
THR51CA1551[S], 10[O], 1[C], 3[P],
THR51CB3551[S], 22[O], 5[C], 7[P],
THR51CG224519[O], 4[P], 1[C],
THR51OG14351[S], 29[O], 6[C], 7[P],
THR51C1551[C], 3[P], 10[O], 1[S],
THR51O751[S], 1[P], 5[O],
ASP52CG21512[O], 3[P], 5[C], 1[S],
ASP52CB3251[S], 19[O], 6[C], 6[P],
ASP52OD23351[S], 5[P], 6[C], 21[O],
ASP52O252[O],
ASP52N2355[C], 4[P], 14[O],
ASP52CA18511[O], 2[P], 5[C],
ASP52OD1957[O], 2[C],
ASP52C353[O],
ALA55CB752[C], 5[O],
MET59CE252[O],
THR72CB353[O],
THR72OG1252[O],
THR72CG2751[P], 6[O],
LEU75N151[O],
LEU75O2151[S], 13[O], 4[C], 3[P],
LEU75C18511[O], 3[P], 3[C], 1[S],
LEU75CB151[O],
LEU75CA651[S], 5[O],
GLY76O2551[S], 3[P], 4[C], 17[O],
GLY76N2951[S], 4[P], 4[C], 20[O],
GLY76C3851[S], 7[P], 6[C], 24[O],
GLY76CA4151[S], 7[P], 6[C], 27[O],
ALA77C3851[S], 7[P], 6[C], 24[O],
ALA77CB44530[O], 7[P], 6[C], 1[S],
ALA77CA4256[C], 7[P], 28[O], 1[S],
ALA77O2851[S], 18[O], 5[C], 4[P],
ALA77N45530[O], 7[P], 7[C], 1[S],
GLY78C3651[S], 21[O], 7[C], 7[P],
GLY78O2551[S], 3[P], 4[C], 17[O],
GLY78CA3155[C], 7[P], 18[O], 1[S],
GLY78N4051[S], 7[P], 6[C], 26[O],
ALA79O3055[C], 5[P], 19[O], 1[S],
ALA79CB3951[S], 7[P], 8[C], 23[O],
ALA79C3957[C], 7[P], 24[O], 1[S],
ALA79CA5159[C], 8[P], 33[O], 1[S],
ALA79N4557[C], 7[P], 30[O], 1[S],
ASN80CG353[O],
ASN80N3256[C], 6[P], 19[O], 1[S],
ASN80CA23517[O], 3[P], 3[C],
ASN80OD1151[O],
ASN80ND2151[O],
ASN80C2052[C], 3[P], 15[O],
ASN80CB1251[C], 3[P], 8[O],
ASN80O21516[O], 3[P], 2[C],
PRO81CG757[O],
PRO81C252[O],
PRO81CA1451[C], 3[P], 10[O],
PRO81CD656[O],
PRO81CB151[O],
PRO81N1751[C], 3[P], 13[O],
VAL83CG2252[O],
VAL83C656[O],
VAL83CG11151[C], 2[P], 8[O],
VAL83CA252[O],
VAL83CB951[P], 8[O],
GLY84N17513[O], 3[P], 1[C],
GLY84CA21517[O], 3[P], 1[C],
THR108O454[O],
THR108OG1151[N],
ALA109O5451[P], 23[C], 13[N], 17[O],
ALA109C79524[O], 16[N], 6[P], 33[C],
ALA109N1051[C], 3[N], 6[O],
ALA109CB4058[C], 8[P], 24[O],
ALA109CA4654[P], 18[C], 6[N], 18[O],
GLY110O104542[O], 13[N], 10[P], 39[C],
GLY110CA110543[C], 8[P], 20[N], 39[O],
GLY110C10358[P], 39[C], 15[N], 41[O],
GLY110N110543[C], 8[P], 20[N], 39[O],
MET111CG1154[O], 7[C],
MET111CB34515[O], 19[C],
MET111C70535[O], 4[N], 23[C], 8[P],
MET111N7858[P], 31[C], 9[N], 30[O],
MET111CA63522[C], 8[P], 4[N], 29[O],
MET111O75530[O], 8[N], 7[P], 30[C],
MET111CE1258[O], 4[C],
MET111SD452[C], 2[O],
GLY112C86549[O], 11[P], 25[C], 1[S],
GLY112O75522[C], 11[P], 41[O], 1[S],
GLY112N65522[C], 8[P], 35[O],
GLY112CA66536[O], 8[P], 22[C],
GLY113CA93528[C], 11[P], 53[O], 1[S],
GLY113O71518[C], 11[P], 41[O], 1[S],
GLY113N9951[S], 4[N], 53[O], 30[C], 11[P],
GLY113C81550[O], 11[P], 19[C], 1[S],
GLY114O4251[S], 28[O], 6[C], 7[P],
GLY114N74545[O], 11[P], 17[C], 1[S],
GLY114C60510[C], 11[P], 38[O], 1[S],
GLY114CA60511[C], 11[P], 37[O], 1[S],
THR115CA6151[S], 39[O], 10[C], 11[P],
THR115O41529[O], 7[P], 5[C],
THR115OG15651[S], 37[O], 7[C], 11[P],
THR115C57536[O], 11[P], 9[C], 1[S],
THR115N6551[S], 42[O], 11[C], 11[P],
THR115CB6351[S], 11[P], 9[C], 42[O],
THR115CG25051[S], 32[O], 6[C], 11[P],
GLY116N66541[O], 11[P], 13[C], 1[S],
GLY116CA67513[C], 11[P], 43[O],
GLY116O22516[O], 4[P], 2[C],
GLY116C49529[O], 11[P], 9[C],
THR117O252[O],
THR117CG2555[O],
THR117CB29519[O], 4[P], 6[C],
THR117N58534[O], 11[P], 13[C],
THR117OG165517[C], 11[P], 37[O],
THR117C12510[O], 1[P], 1[C],
THR117CA2555[C], 4[P], 16[O],
GLY118N16511[O], 4[P], 1[C],
GLY118CA555[O],
ALA119CB555[O],
ALA119N555[O],
ALA120N151[O],
ALA120CB151[O],
VAL138C451[O], 2[N], 1[C],
VAL138O151[N],
THR139N30512[C], 10[N], 8[O],
THR139O44522[C], 9[N], 13[O],
THR139OG18051[P], 40[C], 20[O], 19[N],
THR139CB57529[C], 15[N], 13[O],
THR139CG25059[O], 17[N], 24[C],
THR139CA3558[O], 10[N], 17[C],
THR139C38512[O], 6[N], 20[C],
THR140CG2151[O],
THR140O40519[C], 9[N], 12[O],
THR140CB454[O],
THR140C36512[O], 4[N], 20[C],
THR140OG1353[O],
THR140N31517[C], 3[N], 11[O],
THR140CA29512[O], 1[N], 16[C],
PRO141O18510[C], 8[O],
PRO141CB44523[C], 5[N], 16[O],
PRO141CA43513[O], 6[N], 24[C],
PRO141N38512[O], 5[N], 21[C],
PRO141C31516[C], 3[N], 12[O],
PRO141CD33520[C], 1[N], 12[O],
PRO141CG32520[C], 12[O],
PHE142CD13258[O], 7[N], 17[C],
PHE142CZ3954[O], 13[N], 22[C],
PHE142C1258[O], 4[C],
PHE142O1658[O], 8[C],
PHE142CA1759[C], 8[O],
PHE142N34517[C], 5[N], 12[O],
PHE142CG24512[C], 4[N], 8[O],
PHE142CE238519[C], 11[N], 8[O],
PHE142CB1658[O], 8[C],
PHE142CD23458[O], 7[N], 19[C],
PHE142CE13958[O], 11[N], 20[C],
ASN143N353[O],
PHE144CZ1156[C], 1[N], 4[O],
PHE144CD2151[O],
PHE144CE1854[C], 4[O],
PHE144CE2351[C], 2[O],
GLU145N958[O], 1[C],
GLU145C454[O],
GLU145OE268519[O], 12[N], 2[P], 35[C],
GLU145OE16552[P], 31[C], 20[O], 12[N],
GLU145CG39512[O], 4[N], 23[C],
GLU145O654[O], 2[C],
GLU145CA1658[C], 8[O],
GLU145CB2458[O], 16[C],
GLU145CD58531[C], 11[N], 16[O],
GLY146O252[O],
GLY146N252[O],
ARG149CB2559[O], 16[C],
ARG149NE8259[P], 30[C], 3[N], 39[O], 1[S],
ARG149CZ99551[O], 5[N], 31[C], 11[P], 1[S],
ARG149C1057[O], 3[C],
ARG149CD50524[C], 3[P], 1[N], 22[O],
ARG149CA1356[O], 7[C],
ARG149O1858[O], 10[C],
ARG149CG37520[C], 17[O],
ARG149N454[O],
GLN150NE2151[O],
GLN150N454[O],
GLN150CG151[O],
GLN150CA252[O],
ALA153CB1557[C], 8[O],
ALA153CA151[O],
ILE170CD1251[C], 1[N],
ILE170CA151[N],
ILE170C151[N],
ILE170CG2352[N], 1[C],
ILE170CB251[N], 1[C],
ILE170O451[O], 2[N], 1[C],
ILE170CG1151[N],
PRO171O151[N],
PRO171C351[O], 2[N],
ASN172CA1254[O], 4[N], 4[C],
ASN172N954[O], 2[N], 3[C],
ASN172O451[O], 2[N], 1[C],
ASN172C551[C], 2[N], 2[O],
ASN172CG58529[C], 16[N], 13[O],
ASN172OD154510[O], 17[N], 27[C],
ASN172ND266513[O], 19[N], 34[C],
ASN172CB3959[O], 11[N], 19[C],
GLN173N251[N], 1[O],
LEU175CD11156[N], 5[C],
LEU175CD2453[N], 1[C],
LEU175CG451[C], 3[N],
LEU175CA151[N],
LEU175CB251[N], 1[C],
MET184C151[N],
MET184CG651[O], 2[N], 3[C],
MET184CE251[N], 1[C],
MET184O19510[C], 3[O], 6[N],
MET184SD854[C], 1[O], 3[N],
LYS185O1254[N], 3[O], 5[C],
LYS185CA751[N], 3[O], 3[C],
LYS185C552[O], 1[N], 2[C],
LYS185CG151[O],
LYS185CB151[O],
ALA187CB151[N],
ALA187C30515[C], 2[O], 13[N],
ALA187CA151[N],
ALA187O28514[C], 2[O], 12[N],
TYR188N42518[N], 4[O], 20[C],
TYR188CG64512[O], 20[N], 32[C],
TYR188CZ7851[P], 37[C], 20[N], 20[O],
TYR188CE170535[C], 19[N], 16[O],
TYR188CD165512[O], 20[N], 33[C],
TYR188C42518[N], 4[O], 20[C],
TYR188O43518[N], 4[O], 21[C],
TYR188CD27552[P], 35[C], 18[O], 20[N],
TYR188CE280520[N], 21[O], 37[C], 2[P],
TYR188CA5158[O], 18[N], 25[C],
TYR188CB56510[O], 20[N], 26[C],
LYS189CD351[O], 1[N], 1[C],
LYS189CG652[O], 2[N], 2[C],
LYS189CB1254[C], 5[N], 3[O],
LYS189C1756[C], 8[N], 3[O],
LYS189O1455[C], 7[N], 2[O],
LYS189CE351[O], 1[N], 1[C],
LYS189N33515[N], 4[O], 14[C],
LYS189CA2553[O], 11[N], 11[C],
LYS190N1255[C], 7[N],
LYS190O754[N], 3[C],
LYS190C1353[C], 10[N],
LYS190CA752[C], 5[N],
ALA191N2552[O], 11[N], 12[C],
ALA191C29513[N], 3[O], 13[C],
ALA191CB52510[O], 18[N], 24[C],
ALA191O21511[N], 10[C],
ALA191CA30513[N], 2[O], 15[C],
ASP192CA2753[O], 11[N], 13[C],
ASP192C1559[N], 6[C],
ASP192OD146522[C], 6[O], 18[N],
ASP192O1057[N], 3[C],
ASP192CG36515[C], 4[O], 17[N],
ASP192CB2653[O], 11[N], 12[C],
ASP192OD235517[N], 4[O], 14[C],
ASP192N31514[N], 3[O], 14[C],
ASP193CA353[N],
ASP193N956[N], 3[C],
ASP193C353[N],
VAL194N353[N],
VAL194CG1251[N], 1[C],
VAL194CA252[N],
VAL194CB353[N],
VAL194C353[N],
LEU195CA453[N], 1[C],
LEU195CG1459[N], 5[C],
LEU195N453[N], 1[C],
LEU195CD131515[C], 12[N], 4[O],
LEU195C252[N],
LEU195CD2956[N], 3[C],
LEU195CB1253[C], 9[N],
LEU196N353[N],
LEU196CG151[N],
Total = 330



Download csv file of statistical distribution of contacts