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 :C4_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 C4_S1
Complex: CIT_A_3(4H1X) / Model_27(4H1X/A) = [4.2] Download873.30-4.25MKFKKMLTLAAIGLSGFGLVACGNQSAASKQSASGTIEVISRENGSGTRGAFTEITGILKKDGDKKIDNTAKTAVIQNSTEGVLSAVQGNANAIGYISLGSLTKSVKALEIDGVKASRDTVLDGEYPLQRPFNIVWSSNLSKLGQDFISFIHSKQGQQVVTDNKFIEAKTETTEYTSQHLSGKLSVVGSTSVSSLMEKLAEAYKKENPEVTIDITSNGSSAGITAVKEKTADIGMVSRELTPEEGKSLTHDAIALDGIAVVVNNDNKASQVSMAELADVFSGKLTTWDKIK
Consensus
[pKd Mean = 4.20]		-873
(s=0)		-4
(s=0)		MKFKKMLTLAAIGLSGFGLVACGNQSAASKQSASGTIEVISRENGSGTRGAFTEITGILKKDGDKKIDNTAKTAVIQNSTEGVLSAVQGNANAIGYISLGSLTKSVKALEIDGVKASRDTVLDGEYPLQRPFNIVWSSNLSKLGQDFISFIHSKQGQQVVTDNKFIEAKTETTEYTSQHLSGKLSVVGSTSVSSLMEKLAEAYKKENPEVTIDITSNGSSAGITAVKEKTADIGMVSRELTPEEGKSLTHDAIALDGIAVVVNNDNKASQVSMAELADVFSGKLTTWDKIK



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]
ARG42NE1015[C], 5[O],
ARG42CZ1316[C], 7[O],
ARG42CG914[C], 5[O],
ARG42CD814[O], 4[C],
GLU43CD914[O], 5[C],
GLU43OE1813[C], 5[O],
GLU43OE21316[C], 7[O],
GLU43CG312[O], 1[C],
SER46OG1316[C], 7[O],
THR48OG11316[C], 7[O],
THR48CG21116[O], 5[C],
ARG49CG111[O],
SER79OG111[O],
THR80CG2412[C], 2[O],
THR80OG11015[C], 5[O],
GLU81OE1312[O], 1[C],
GLU81OE2111[O],
GLU81CD111[O],
VAL83CG2111[O],
TYR96CE1212[O],
TYR96CD1212[O],
TYR96CZ111[O],
ILE97CG2111[O],
SER98OG1015[C], 5[O],
SER101OG412[C], 2[O],
ARG130CD111[O],
ARG130CZ1014[O], 6[C],
ARG130NE612[C], 4[O],
PHE132CE2413[C], 1[O],
PHE132CD1111[O],
PHE132CE1412[C], 2[O],
PHE132CZ813[O], 5[C],
PHE165CZ412[C], 2[O],
PHE165CE1412[C], 2[O],
SER189OG512[C], 3[O],
THR190CG2613[C], 3[O],
THR190OG11015[C], 5[O],
SER191OG1317[O], 6[C],
SER193OG412[O], 2[C],
SER194OG212[C],
SER216OG312[O], 1[C],
SER237OG212[O],
ASP256OD1512[O], 3[C],
ASP256OD2613[C], 3[O],
ASP256CG513[C], 2[O],
ILE258CG1111[O],
Total = 46



Download csv file of statistical distribution of contacts