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 :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: BGC_A_3(4PTX) / Model_7(4PTX/A) = [4.2] Download456.2115.61MLYFMYRIIERRLSMKKKLVFPNLFWWGAASSGPQTEGQYGKVHENVMDYWFKTHPEDFFDNVGPLVASNFFHTYTEDFHLMKEIGVNSFRTSIQWSRLIKNLETGEPDPKGIAFYNAIIEEAKKNQMDLVMNLHHFDLPVELLQKYGGWESKHVVELFVKFAKTAFTCFGDKVHYWTTFNEPMVIPEAGYLYAFHYPNLKGKGKEAVQVIYNLNLASAKVIQLYRSLELDGKIGIILNLTPAYPRSNSPEDLEASRFTDDFFNKVFLNPAVKGTFPERLVKQLERDGVLWSHTEKELQLMKSNTVDFLGVNYYHPKRVQAQANPEEYQTPWMPDQYFKEYEWPERRMNPYRGWEIFPKAIYDIAMIVKEEYGNIPWFISENGMGVENEARFIDENGVIDDVYRIEFYEEHLRWLHKAIEEGSHCFGYHAWTAFDCWSWNNAYKNRYGFISVDLETQKRTIKSSGRWYRKVSDNNGFEVEIEE
Consensus
[pKd Mean = 4.20]		-456
(s=0)		15
(s=0)		MLYFMYRIIERRLSMKKKLVFPNLFWWGAASSGPQTEGQYGKVHENVMDYWFKTHPEDFFDNVGPLVASNFFHTYTEDFHLMKEIGVNSFRTSIQWSRLIKNLETGEPDPKGIAFYNAIIEEAKKNQMDLVMNLHHFDLPVELLQKYGGWESKHVVELFVKFAKTAFTCFGDKVHYWTTFNEPMVIPEAGYLYAFHYPNLKGKGKEAVQVIYNLNLASAKVIQLYRSLELDGKIGIILNLTPAYPRSNSPEDLEASRFTDDFFNKVFLNPAVKGTFPERLVKQLERDGVLWSHTEKELQLMKSNTVDFLGVNYYHPKRVQAQANPEEYQTPWMPDQYFKEYEWPERRMNPYRGWEIFPKAIYDIAMIVKEEYGNIPWFISENGMGVENEARFIDENGVIDDVYRIEFYEEHLRWLHKAIEEGSHCFGYHAWTAFDCWSWNNAYKNRYGFISVDLETQKRTIKSSGRWYRKVSDNNGFEVEIEE



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]
SER32OG613[C], 3[O],
PRO34CD111[O],
PRO34CG111[O],
GLN35OE11216[O], 6[C],
GLN35NE21216[C], 6[O],
GLN35CG815[C], 3[O],
GLN35CD1115[O], 6[C],
ARG91NE111[O],
ARG91CZ513[C], 2[O],
ASN133ND2212[O],
HIS136CD21015[O], 5[C],
HIS136CE11015[C], 5[O],
HIS136NE21116[C], 5[O],
HIS136ND1814[C], 4[O],
HIS136CG714[C], 3[O],
PHE137CE2513[O], 2[C],
PHE137CE11015[C], 5[O],
PHE137CZ713[O], 4[C],
PHE137CG412[C], 2[O],
PHE137CD2311[C], 2[O],
PHE137CD1814[C], 4[O],
ASN181CG814[O], 4[C],
ASN181OD1914[O], 5[C],
ASN181ND21015[C], 5[O],
GLU182CG915[C], 4[O],
GLU182OE11216[C], 6[O],
GLU182CD1216[O], 6[C],
GLU182OE21216[C], 6[O],
MET184CE111[O],
VAL185CG2613[O], 3[C],
VAL185CG1714[O], 3[C],
HIS196ND1111[O],
HIS196CE1913[C], 6[O],
HIS196NE2311[C], 2[O],
ILE237CG2311[C], 2[O],
ILE237CD1111[O],
ASN239ND2211[C], 1[O],
ASN239OD1412[O], 2[C],
ASN239CG412[O], 2[C],
ASN312ND2914[O], 5[C],
ASN312OD1613[O], 3[C],
ASN312CG915[C], 4[O],
TYR314CZ1216[C], 6[O],
TYR314CD11016[C], 4[O],
TYR314CD21116[C], 5[O],
TYR314CE21216[O], 6[C],
TYR314CE11116[C], 5[O],
TYR314CG1016[C], 4[O],
ARG352CD412[C], 2[O],
ARG352CZ814[O], 4[C],
ARG352NE613[C], 3[O],
ARG352CG312[C], 1[O],
TRP354CE2412[C], 2[O],
TRP354CG111[O],
TRP354NE1211[C], 1[O],
TRP354CZ3915[C], 4[O],
TRP354CD1111[O],
TRP354CE3613[O], 3[C],
TRP354CZ2814[C], 4[O],
TRP354CD2312[O], 1[C],
GLU381OE21216[C], 6[O],
GLU381OE11216[O], 6[C],
GLU381CG1116[C], 5[O],
GLU381CD1216[C], 6[O],
TRP431CE31216[O], 6[C],
TRP431CE21216[O], 6[C],
TRP431CD11216[O], 6[C],
TRP431CZ21216[O], 6[C],
TRP431CG1216[O], 6[C],
TRP431CD21216[O], 6[C],
TRP431CZ31216[C], 6[O],
TRP431NE11216[C], 6[O],
THR432OG1311[O], 2[C],
THR432CG21116[C], 5[O],
CYS436SG612[O], 4[C],
TRP437CE3212[O],
TRP437CZ3212[O],
SER438OG814[C], 4[O],
TRP439CE21216[C], 6[O],
TRP439CD21015[C], 5[O],
TRP439CZ21014[O], 6[C],
TRP439CE3513[C], 2[O],
TRP439CZ3412[O], 2[C],
TRP439CD11216[C], 6[O],
TRP439CG1116[C], 5[O],
TRP439NE11216[O], 6[C],
ASN440OD1111[O],
ASN441ND2211[O], 1[C],
ASN441CG111[O],
ASN445CG111[O],
ASN445ND2211[O], 1[C],
TYR447CD2813[O], 5[C],
TYR447CD11016[C], 4[O],
TYR447CZ1016[C], 4[O],
TYR447CE11014[O], 6[C],
TYR447CE2815[C], 3[O],
TYR447CG714[C], 3[O],
Total = 97



Download csv file of statistical distribution of contacts