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 :C3_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 C3_S1
Complex: ADP_A_4(6EOE) / Model_17(6EOE/A) = [7.1] Download939.896.86MSVVGLDVGSQSCYIAVARAGGIETIANEFSDRCTPSVISFGSKNRTIGVAAKNQQITHANNTVSNFKRFHGRAFNDPFIQKEKENLSYDLVPLKNGGVGIKVMYMGEEHLFSVEQITAMLLTKLKETAENSLKKPVTDCVISVPSFFTDAERRSVLDAAQIVGLNCLRLMNDMTAVALNYGIYKQDLPSLDEKPRIVVFVDMGHSAFQVSACAFNKGKLKVLGTAFDPFLGGKNFDEKLVEHFCAEFKTKYKLDAKSKIRALLRLYQECEKLKKLMSSNSTDLPLNIECFMNDKDVSGKMNRSQFEELCAELLQKIEVPLYSLLEQTHLKVEDVSAVEIVGGATRIPAVKERIAKFFGKDISTTLNADEAVARGCALQCAILSPAFKVREFSVTDAVPFPISLIWNHDSEDTEGVHEVFSRNHAAPFSKVLTFLRRGPFELEAFYSDPQGVPYPEAKIGRFVVQNVSAQKDGEKSRVKVKVRVNTHGIFTISTASMVEKVPTEENEMSSEADMECLNQRPPENPDTDKNVQQDNSEAGTQPQVQTDAQQTSQSPPSPELTSEENKIPDADKANEKKVDQPPEAKKPKIKVVNVELPIEANLVWQLGKDLLNMYIETEGKMIMQDKLEKERNDAKNAVEEYVYEFRDKLCGPYEKFICEQDHQNFLRLLTETEDWLYEEGEDQAKQAYVDKLEELMKIGTPVKVRFQEAEERPKMFEELGQRLQHYAKIAADFRNKDEKYNHIDESEMKKVEKSVNEVMEWMNNVMNAQAKKSLDQDPVVRAQEIKTKIKELNNTCEPVVTQPKPKIESPKLERTPNGPNIDKKEEDLEDKNNFGAEPPHQNGECYPNEKNSVNMDLD
Consensus
[pKd Mean = 7.10]
-939
(s=0)
6
(s=0)
MSVVGLDVGSQSCYIAVARAGGIETIANEFSDRCTPSVISFGSKNRTIGVAAKNQQITHANNTVSNFKRFHGRAFNDPFIQKEKENLSYDLVPLKNGGVGIKVMYMGEEHLFSVEQITAMLLTKLKETAENSLKKPVTDCVISVPSFFTDAERRSVLDAAQIVGLNCLRLMNDMTAVALNYGIYKQDLPSLDEKPRIVVFVDMGHSAFQVSACAFNKGKLKVLGTAFDPFLGGKNFDEKLVEHFCAEFKTKYKLDAKSKIRALLRLYQECEKLKKLMSSNSTDLPLNIECFMNDKDVSGKMNRSQFEELCAELLQKIEVPLYSLLEQTHLKVEDVSAVEIVGGATRIPAVKERIAKFFGKDISTTLNADEAVARGCALQCAILSPAFKVREFSVTDAVPFPISLIWNHDSEDTEGVHEVFSRNHAAPFSKVLTFLRRGPFELEAFYSDPQGVPYPEAKIGRFVVQNVSAQKDGEKSRVKVKVRVNTHGIFTISTASMVEKVPTEENEMSSEADMECLNQRPPENPDTDKNVQQDNSEAGTQPQVQTDAQQTSQSPPSPELTSEENKIPDADKANEKKVDQPPEAKKPKIKVVNVELPIEANLVWQLGKDLLNMYIETEGKMIMQDKLEKERNDAKNAVEEYVYEFRDKLCGPYEKFICEQDHQNFLRLLTETEDWLYEEGEDQAKQAYVDKLEELMKIGTPVKVRFQEAEERPKMFEELGQRLQHYAKIAADFRNKDEKYNHIDESEMKKVEKSVNEVMEWMNNVMNAQAKKSLDQDPVVRAQEIKTKIKELNNTCEPVVTQPKPKIESPKLERTPNGPNIDKKEEDLEDKNNFGAEPPHQNGECYPNEKNSVNMDLD



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]
ASP7OD1614[O], 2[P],
ASP7OD2917[O], 2[P],
ASP7CG712[P], 5[O],
VAL8CG1111[O],
SER10OG911[P], 3[C], 5[O],
GLN11NE21918[O], 2[P], 2[N], 7[C],
GLN11CD22110[O], 2[P], 3[N], 7[C],
GLN11CG19110[O], 2[P], 1[N], 6[C],
GLN11OE123110[O], 2[P], 3[N], 8[C],
SER12OG18110[O], 6[C], 2[P],
CYS13SG311[P], 2[O],
TYR14CG712[P], 5[O],
TYR14CD2413[O], 1[P],
TYR14CE11112[C], 2[P], 7[O],
TYR14CZ1017[O], 2[P], 1[C],
TYR14CD11011[C], 2[P], 7[O],
TYR14CE2815[O], 2[P], 1[C],
CYS34SG411[C], 1[P], 2[O],
SER37OG511[P], 4[O],
LYS53NZ312[C], 1[O],
ASN66OD1212[O],
LYS68CG111[O],
LYS68CE311[P], 2[O],
LYS68NZ511[P], 4[O],
LYS68CD411[P], 3[O],
ASP173OD1111[O],
ASP173CG111[O],
ASP173OD2413[O], 1[P],
ASP202OD1513[O], 2[P],
ASP202OD2212[O],
ASP202CG212[O],
MET203CG412[O], 2[C],
HIS205CD21518[O], 2[P], 5[C],
HIS205ND11917[C], 2[P], 1[N], 9[O],
HIS205CE11518[O], 5[C], 1[P], 1[N],
HIS205CG18110[O], 2[P], 1[N], 5[C],
HIS205NE21315[C], 1[P], 7[O],
SER206OG511[P], 4[O],
GLN209OE1111[O],
LYS234CD211[C], 1[O],
LYS234CG111[O],
PHE236CE2611[N], 2[C], 3[O],
PHE236CG412[O], 1[N], 1[C],
PHE236CD21113[O], 2[N], 6[C],
ASP237OD1912[O], 5[C], 2[N],
ASP237OD2612[O], 4[C],
ASP237CG612[O], 3[C], 1[N],
TYR267CZ212[O],
TYR267CE1212[O],
GLU271OE22015[N], 10[C], 5[O],
GLU271OE11713[O], 10[C], 4[N],
GLU271CD1714[N], 10[C], 3[O],
GLU271CG1212[O], 3[N], 7[C],
LYS274CG1613[O], 8[C], 5[N],
LYS274CD1713[O], 5[N], 9[C],
LYS274NZ1814[O], 10[C], 4[N],
LYS274CE1813[O], 10[C], 5[N],
LYS275CE1015[N], 5[C],
LYS275CG1311[O], 5[N], 7[C],
LYS275CD1311[O], 7[C], 5[N],
LYS275NZ814[N], 4[C],
MET277CE111[C],
SER278OG1115[N], 6[C],
SER279OG111[N],
PHE306CE1211[N], 1[C],
PHE306CD2111[C],
PHE306CE2311[C], 2[N],
PHE306CZ311[C], 2[N],
VAL341CG2111[O],
THR345OG1212[O],
ARG346NE1312[O], 6[C], 5[N],
ARG346CD1311[O], 7[C], 5[N],
ARG346CG1211[O], 6[C], 5[N],
ARG346CZ1714[O], 7[C], 5[N], 1[P],
ILE347CD11515[N], 7[C], 3[O],
ILE347CG11415[N], 7[C], 2[O],
ILE347CG2512[N], 3[C],
PRO348CD513[N], 2[C],
PRO348CG211[N], 1[C],
ASN367OD1212[O],
ASP369OD11718[C], 1[P], 3[N], 5[O],
ASP369OD22519[C], 4[N], 2[P], 10[O],
ASP369CG2117[O], 2[P], 3[N], 9[C],
GLU370CG111[O],
VAL372CG2212[O],
VAL372CG1212[O],
Total = 86



Download csv file of statistical distribution of contacts