Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAP_A_3(3O03) / Model_2(3O03/A) = [9.8] Download1786.4825.15MMEFSMDMFRLDGKVALVTGAVYGIGFEIARSLATAGAKIVFNNLNQESVDEGIAHYKEAGIDAKGYVCDVTDEEAVQAMVQQIKEDVGSVDILVNNAGIIKRTPMIEMDAADFRQVIDVDLNAPFIVSKAVIPDMIEKGGGKIINICSMMSELGRETVSAYAAAKGGLKMLTKNIASEYGQYNIQCNGIGPGYIATPQTAPLRETQENGERHPFDQFIVGRTPAARWGEPIDLAGPSVFLASSASDFVNGHVLYVDGGILAYIGKQP
Complex: GCO_A_4(3O03) / Model_2(3O03/A) = [3.1] Download644.8528.11MMEFSMDMFRLDGKVALVTGAVYGIGFEIARSLATAGAKIVFNNLNQESVDEGIAHYKEAGIDAKGYVCDVTDEEAVQAMVQQIKEDVGSVDILVNNAGIIKRTPMIEMDAADFRQVIDVDLNAPFIVSKAVIPDMIEKGGGKIINICSMMSELGRETVSAYAAAKGGLKMLTKNIASEYGQYNIQCNGIGPGYIATPQTAPLRETQENGERHPFDQFIVGRTPAARWGEPIDLAGPSVFLASSASDFVNGHVLYVDGGILAYIGKQP
Consensus
[pKd Mean = 6.45]		-1215
(s=570)		26
(s=1)		MMEFSMDMFRLDGKVALVTGAVYGIGFEIARSLATAGAKIVFNNLNQESVDEGIAHYKEAGIDAKGYVCDVTDEEAVQAMVQQIKEDVGSVDILVNNAGIIKRTPMIEMDAADFRQVIDVDLNAPFIVSKAVIPDMIEKGGGKIINICSMMSELGRETVSAYAAAKGGLKMLTKNIASEYGQYNIQCNGIGPGYIATPQTAPLRETQENGERHPFDQFIVGRTPAARWGEPIDLAGPSVFLASSASDFVNGHVLYVDGGILAYIGKQP



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]
THR19CG2322[N], 1[C],
THR19OG11429[C], 3[N], 2[O],
VAL22CG11024[C], 1[N], 1[P], 4[O],
VAL22CG21621[P], 8[O], 5[C], 2[N],
TYR23CZ2423[P], 13[O], 7[C], 1[N],
TYR23CE222213[O], 3[P], 6[C],
TYR23CD11825[C], 3[P], 10[O],
TYR23CG1823[P], 10[O], 5[C],
TYR23CD221212[O], 3[P], 6[C],
TYR23CE121212[O], 3[P], 1[N], 5[C],
ILE25CD12822[P], 11[O], 13[C], 2[N],
ILE25CG12122[P], 6[O], 11[C], 2[N],
ILE25CG223212[C], 2[N], 2[P], 7[O],
ILE29CD1321[O], 2[C],
PHE42CD1121[O],
PHE42CE1121[O],
ASN43ND21221[O], 6[C], 5[N],
ASN43OD1921[O], 3[N], 5[C],
ASN43CG923[N], 5[C], 1[O],
ASN44OD12327[O], 1[P], 5[N], 10[C],
ASN44ND22127[O], 1[P], 4[N], 9[C],
ASN44CG22210[C], 4[N], 1[P], 7[O],
LEU45CD21721[P], 4[O], 7[C], 5[N],
LEU45CD11521[P], 2[O], 7[C], 5[N],
LEU45CG1724[O], 1[P], 5[N], 7[C],
ASN46CG423[O], 1[P],
ASN46ND2521[P], 4[O],
ASN46OD1421[P], 3[O],
SER49OG1225[O], 1[P], 2[N], 4[C],
GLU52OE1222[O],
GLU52OE2121[O],
GLU52CD222[O],
CYS69SG221[N], 1[C],
ASP70CG1025[N], 5[C],
ASP70OD2824[N], 4[C],
ASP70OD11025[N], 5[C],
VAL71CG11221[O], 6[C], 5[N],
VAL71CG21221[O], 6[C], 5[N],
THR72OG1623[N], 3[C],
THR72CG2824[N], 4[C],
VAL77CG2221[C], 1[N],
VAL95CG1121[C],
ASN97OD12621[N], 11[C], 12[O], 2[P],
ASN97CG2422[P], 11[O], 10[C], 1[N],
ASN97ND228211[C], 3[N], 2[P], 12[O],
ILE100CD1522[C], 2[N], 1[O],
ILE100CG1922[O], 4[C], 3[N],
ILE100CG225210[C], 5[N], 2[P], 8[O],
ILE101CD123213[C], 2[N], 8[O],
ILE101CG11527[C], 8[O],
ILE101CG22622[P], 12[O], 11[C], 1[N],
ARG103CG823[C], 5[O],
ARG103NE1126[O], 5[C],
ARG103CZ1226[O], 6[C],
ARG103CD925[O], 4[C],
GLN116NE2222[N],
GLN116CD121[N],
GLN116CG121[N],
ASP119CG121[N],
ASP119OD2121[N],
VAL120CG21025[C], 5[N],
VAL120CG11723[O], 9[C], 5[N],
ASP121CG824[C], 1[N], 3[O],
ASP121OD2623[C], 3[O],
ASP121OD11624[O], 1[P], 3[N], 8[C],
PRO125CG121[O],
VAL128CG2221[C], 1[N],
ILE147CG222211[C], 1[N], 1[P], 9[O],
ILE147CD11023[O], 6[C], 1[N],
ILE147CG11324[O], 8[C], 1[N],
SER149OG2227[O], 2[N], 13[C],
MET150CE1225[O], 7[C],
MET150CG822[O], 6[C],
MET150SD524[C], 1[O],
MET151SD1427[C], 7[O],
MET151CG1327[O], 6[C],
MET151CE1927[O], 10[C], 2[N],
SER152OG121[O],
ARG156CD925[O], 4[C],
ARG156NE1126[O], 5[C],
ARG156CZ925[O], 4[C],
ARG156CG924[C], 5[O],
THR158OG1623[C], 3[O],
THR158CG2221[C], 1[O],
VAL159CG11326[C], 7[O],
VAL159CG21226[C], 6[O],
TYR162CZ31213[O], 2[N], 16[C],
TYR162CE12821[N], 17[C], 9[O], 1[P],
TYR162CD22128[O], 1[N], 12[C],
TYR162CG1721[N], 9[C], 7[O],
TYR162CD11926[O], 12[C], 1[N],
TYR162CE226215[C], 1[N], 10[O],
LYS166CD1421[N], 8[C], 5[O],
LYS166CE2027[O], 1[N], 12[C],
LYS166NZ1821[N], 11[C], 6[O],
LYS166CG1224[O], 7[C], 1[N],
LEU169CG121[O],
LEU169CD2523[C], 2[O],
ILE190CG2322[C], 1[O],
PRO192CG2126[O], 13[C], 2[N],
PRO192CD1922[N], 12[C], 5[O],
TYR194CD2322[O], 1[C],
TYR194CD11425[O], 1[N], 8[C],
TYR194CZ923[O], 6[C],
TYR194CE11326[C], 1[N], 6[O],
TYR194CE2522[C], 3[O],
TYR194CG923[O], 5[C], 1[N],
ILE195CG21022[N], 5[C], 3[O],
ILE195CD1921[O], 2[N], 6[C],
ILE195CG11625[O], 9[C], 2[N],
THR197OG1721[P], 3[O], 2[C], 1[N],
THR197CG21622[N], 5[C], 7[O], 2[P],
PRO198CD323[O],
GLN199CG222[O],
GLN199OE11122[P], 9[O],
GLN199CD922[P], 7[O],
GLN199NE2926[O], 3[P],
THR200OG1221[O], 1[N],
THR200CG2622[C], 1[N], 3[O],
PHE215CE2421[C], 3[O],
PHE215CD2121[O],
PHE215CD1121[O],
PHE215CE1825[O], 3[C],
PHE215CZ925[O], 4[C],
ILE219CG1121[O],
ILE219CD1222[O],
TRP228CZ3422[O], 1[N], 1[C],
TRP228CE3121[N],
PRO231CD121[O],
PRO231CG321[C], 2[O],
LEU234CD2323[C],
LEU234CG524[C], 1[O],
LEU234CD11524[O], 9[C], 2[N],
Total = 133



Download csv file of statistical distribution of contacts