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 :C5_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 C5_S1
Complex: 3OH_B_4(3S8H) / Model_136(3S8H/B) = [3.6] Download355.4620.19MDKNIGGMKMIKGSIVALITPMNEEGSVDYAGLEKLIQFHLDEQTDGLLVLGTTGESSTLTQSEEEQILQLTVKKVAGRVPVIAGAGTNNTKETIEKAKHFASLGADALLVITPYYNKTSDAGLAAHFTAIAEASPIPLILYNVPSRTGMSIPIHVLVNLAEHPNIIGLKEASGDMAYVMDAARLIGEEFFLYSGNDDLILPVMSVGGSGVISVWANIQPKIVHELVKDTQDGRWQQAKEKQLNALELIHALFSETNPIPVKAAMSLLDLPSGPLRLPLVSLSKEKKKQLAQLLLKERTVEK
Consensus
[pKd Mean = 3.60]		-355
(s=0)		20
(s=0)		MDKNIGGMKMIKGSIVALITPMNEEGSVDYAGLEKLIQFHLDEQTDGLLVLGTTGESSTLTQSEEEQILQLTVKKVAGRVPVIAGAGTNNTKETIEKAKHFASLGADALLVITPYYNKTSDAGLAAHFTAIAEASPIPLILYNVPSRTGMSIPIHVLVNLAEHPNIIGLKEASGDMAYVMDAARLIGEEFFLYSGNDDLILPVMSVGGSGVISVWANIQPKIVHELVKDTQDGRWQQAKEKQLNALELIHALFSETNPIPVKAAMSLLDLPSGPLRLPLVSLSKEKKKQLAQLLLKERTVEK



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]
LEU49CD2211[C], 1[O],
THR53CG2613[C], 3[O],
THR53OG1613[O], 3[C],
THR54CG2512[O], 3[C],
THR54OG1613[C], 3[O],
LEU110CD2211[C], 1[O],
ILE112CD1211[O], 1[C],
ILE112CG1111[O],
TYR142CZ613[O], 3[C],
TYR142CE2613[C], 3[O],
TYR142CE1613[C], 3[O],
TYR142CD2513[C], 2[O],
TYR142CG513[C], 2[O],
TYR142CD1613[C], 3[O],
VAL144CG1512[O], 3[C],
VAL144CG2613[O], 3[C],
SER146OG412[C], 2[O],
ARG147CZ512[O], 3[C],
ARG147NE613[C], 3[O],
ARG147CD512[O], 3[C],
ARG147CG412[C], 2[O],
LYS170CG513[C], 2[O],
LYS170CE613[O], 3[C],
LYS170NZ613[O], 3[C],
LYS170CD513[C], 2[O],
SER194OG211[C], 1[O],
ASN196OD1211[C], 1[O],
ASN196CG212[C],
ASP197OD1311[O], 2[C],
ASP197OD2512[O], 3[C],
ASP197CG312[C], 1[O],
ILE200CG1111[O],
ILE200CD1211[O], 1[C],
VAL211CG1211[O], 1[C],
ILE212CG1211[C], 1[O],
ILE212CG2311[O], 2[C],
ILE212CD1111[O],
SER213OG111[O],
VAL214CG1512[O], 3[C],
VAL214CG2613[O], 3[C],
ASN217ND2111[O],
PHE253CD1613[O], 3[C],
PHE253CE1613[O], 3[C],
PHE253CG311[O], 2[C],
PHE253CE2613[C], 3[O],
PHE253CZ613[O], 3[C],
PHE253CD2513[C], 2[O],
THR256CG2211[O], 1[C],
ASN257ND2613[O], 3[C],
ASN257CG613[O], 3[C],
ASN257OD1613[C], 3[O],
PRO258CD211[C], 1[O],
Total = 52



Download csv file of statistical distribution of contacts