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: 8OD_C_11(3NBF) / Model_66(3NBF/C) = [5.5] Download967.793.42MKFKELELSPELLKSVERAGFEEATPIQAETIPLALAGKDVIGQAQTGTGKTAAFGLPMLEKIDPDRHELQGLVIAPTRELAIQTQEELYRLGRDKKVRVQAVYGGADIGRQIRGLKDRPHIVVGTPGRMLDHINRHTLKLGTVQTLVLDEADEMLNMGFLEDIEKIISQVPDQRQTLLFSATMPPAIKNIGVKFMKNPHHVKIKAKEMTADLIDQYYVRAKEYEKFDIMTRLFDVQTPELTIVFGRTKRRVDELARGLEARGYRAEGIHGDLSQQKRMSVLRSFKSGHLDILVATDVAARGLDISGVTHVYNYDIPQDPESYVHRIGRTGRAGKGGMSVTFVTPNEMDYLHVIENLTKKRMTTLRPPTEKEAFKGQLGAAVEQIETKLAENGLDKYLQTADKLLEEYSAQDLVALLLKTTAKDPADAVPVKITPERPLPMQKKGYNKNGKRGGGNNRNRRDGGNYRGNKSKGGYSKNNNSQKDGGKRHNDKKRGFVIRSNND
Consensus
[pKd Mean = 5.50]
-967
(s=0)
3
(s=0)
MKFKELELSPELLKSVERAGFEEATPIQAETIPLALAGKDVIGQAQTGTGKTAAFGLPMLEKIDPDRHELQGLVIAPTRELAIQTQEELYRLGRDKKVRVQAVYGGADIGRQIRGLKDRPHIVVGTPGRMLDHINRHTLKLGTVQTLVLDEADEMLNMGFLEDIEKIISQVPDQRQTLLFSATMPPAIKNIGVKFMKNPHHVKIKAKEMTADLIDQYYVRAKEYEKFDIMTRLFDVQTPELTIVFGRTKRRVDELARGLEARGYRAEGIHGDLSQQKRMSVLRSFKSGHLDILVATDVAARGLDISGVTHVYNYDIPQDPESYVHRIGRTGRAGKGGMSVTFVTPNEMDYLHVIENLTKKRMTTLRPPTEKEAFKGQLGAAVEQIETKLAENGLDKYLQTADKLLEEYSAQDLVALLLKTTAKDPADAVPVKITPERPLPMQKKGYNKNGKRGGGNNRNRRDGGNYRGNKSKGGYSKNNNSQKDGGKRHNDKKRGFVIRSNND



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]
PRO77CG512[O], 1[N], 2[C],
THR78CG219110[C], 5[N], 4[O],
THR78OG11713[O], 9[C], 5[N],
ARG79CD2519[C], 2[P], 3[N], 11[O],
ARG79CG24110[O], 9[C], 2[P], 3[N],
ARG79CZ2418[C], 2[P], 3[N], 11[O],
ARG79NE2418[C], 2[P], 3[N], 11[O],
GLU80CG914[C], 4[N], 1[O],
GLU80CD1512[O], 5[N], 8[C],
GLU80OE21415[N], 7[C], 2[O],
GLU80OE11813[O], 10[C], 5[N],
VAL103CG1111[O],
TYR104CE2111[O],
TYR104CD2413[O], 1[P],
TYR104CG611[C], 1[P], 4[O],
TYR104CD1111[O],
THR126OG11816[C], 2[P], 10[O],
THR126CG21919[O], 2[N], 2[P], 6[C],
PRO127CD1116[O], 3[C], 2[P],
PRO127CG613[O], 1[P], 2[C],
ARG129CZ712[P], 5[O],
ARG129CG816[O], 2[P],
ARG129CD715[O], 2[P],
ARG129NE812[P], 6[O],
MET130CG111[O],
MET130SD111[O],
MET130CE212[O],
ASP132CG611[P], 5[O],
ASP132OD1411[P], 3[O],
ASP132OD2812[P], 6[O],
MET158CG18110[C], 4[N], 4[O],
MET158CE23110[C], 1[P], 5[N], 7[O],
MET158SD2015[O], 10[C], 5[N],
PHE160CD21618[O], 2[P], 5[C], 1[N],
PHE160CE22217[C], 2[P], 2[N], 11[O],
PHE160CE11619[O], 2[P], 5[C],
PHE160CG1214[C], 2[P], 6[O],
PHE160CZ21111[O], 1[N], 2[P], 7[C],
PHE160CD11318[O], 3[C], 2[P],
ASP163OD1111[O],
ASP163OD2712[P], 5[O],
ASP163CG313[O],
Total = 42



Download csv file of statistical distribution of contacts