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 :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: PM5_A_12(2FAD) / Model_14(2FAD/A) = [4.4] Download1192.0135.50MANQTPQAMRRIPVSDIEQRVKKAVAEQLGLKAEEIKNEASFMDDLGADSLDLVELVMSFENDFDITIPDEDSNEITTVQSAIDYVTKKLG
Complex: PM4_A_14(2FAC) / Model_13(2FAC/A) = [4.4] Download1211.7035.58MANQTPQAMRRIPVSDIEQRVKKAVAEQLGLKAEEIKNEASFMDDLGADSLDLVELVMSFENDFDITIPDEDSNEITTVQSAIDYVTKKLG
Consensus
[pKd Mean = 4.40]		-1201
(s=9)		35
(s=0)		MANQTPQAMRRIPVSDIEQRVKKAVAEQLGLKAEEIKNEASFMDDLGADSLDLVELVMSFENDFDITIPDEDSNEITTVQSAIDYVTKKLG



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]
VAL21CG1822[S], 6[C],
VAL21CG2525[C],
VAL25CG2624[C], 2[S],
VAL25CG1222[S],
LEU29CD1321[C], 2[O],
LEU29CG222[O],
LEU29CD2222[O],
SER41OG822[O], 5[C], 1[N],
PHE42CD22022[N], 12[C], 4[O], 2[S],
PHE42CZ2222[N], 14[C], 4[O], 2[S],
PHE42CE126216[C], 4[N], 4[O], 2[S],
PHE42CD12622[S], 4[O], 16[C], 4[N],
PHE42CG24212[C], 4[N], 6[O], 2[S],
PHE42CE22122[S], 4[O], 2[N], 13[C],
MET43CE22216[C], 2[N], 4[O],
MET43CG2828[O], 2[N], 18[C],
MET43SD3122[N], 18[C], 1[P], 10[O],
ASP44OD1121[C],
ASP49OD1923[C], 2[P], 4[O],
ASP49CG822[C], 2[P], 4[O],
SER50OG26212[C], 2[N], 2[P], 10[O],
ASP52CG323[O],
ASP52OD2222[O],
LEU53CD24524[N], 23[C], 2[P], 14[O], 2[S],
LEU53CD14222[S], 26[C], 4[N], 10[O],
LEU53CG4422[S], 24[C], 4[N], 2[P], 12[O],
VAL54CG21026[O], 2[C], 2[P],
LEU56CD11724[O], 11[C], 2[S],
LEU56CD22224[O], 14[C], 2[N], 2[S],
LEU56CG2222[N], 14[C], 4[O], 2[S],
VAL57CG23322[S], 4[O], 4[N], 23[C],
VAL57CG12322[O], 17[C], 2[N], 2[S],
PHE60CG2122[S], 17[C], 2[O],
PHE60CE22222[O], 1[N], 17[C], 2[S],
PHE60CE116214[C], 2[S],
PHE60CZ19215[C], 2[O], 2[S],
PHE60CD11922[S], 15[C], 2[O],
PHE60CD22222[O], 1[N], 17[C], 2[S],
GLU61OE112212[C],
GLU61CD1522[O], 13[C],
GLU61OE21522[O], 13[C],
GLU61CG1622[O], 13[C], 1[S],
PHE64CG727[C],
PHE64CD110210[C],
PHE64CZ222[C],
PHE64CD2323[C],
PHE64CE2222[C],
PHE64CE1828[C],
ILE66CG2828[C],
ILE66CD1727[C],
ILE66CG1727[C],
THR67CG2323[C],
THR67OG1222[C],
ILE68CG11722[O], 13[C], 2[S],
ILE68CG22122[O], 17[C], 2[S],
ILE68CD12322[N], 17[C], 2[O], 2[S],
PRO69CD323[C],
SER73OG3222[S], 20[C], 4[N], 6[O],
ASN74ND21522[O], 4[N], 9[C],
ASN74CG2827[O], 4[N], 17[C],
ASN74OD135210[O], 4[N], 21[C],
ILE76CG12422[S], 2[N], 18[C], 2[O],
ILE76CG22822[N], 20[C], 4[O], 2[S],
ILE76CD12522[S], 2[N], 19[C], 2[O],
THR77OG1826[C], 2[N],
THR77CG22024[O], 4[N], 12[C],
TYR85CD21522[O], 13[C],
TYR85CE215213[C], 2[O],
TYR85CD115213[C], 2[O],
TYR85CZ15213[C], 2[O],
TYR85CG15213[C], 2[O],
TYR85CE11522[O], 13[C],
VAL86CG213213[C],
VAL86CG1929[C],
Total = 74



Download csv file of statistical distribution of contacts