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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: OLC_B_21(5DIR) / Model_6(5DIR/B) = [3.6] Download1635.9150.06MPNSQAKKGLFQFYPHNLIWLGLSVLAIVLDQWTKWIASTHMNYADPVPVLPFLNWTLLHNYGAAFSFLSDAGGWQRYFFTSLAGLVSILFVFWLLRMPKKMVVLPVAIALILGGALGNLIDRITLGYVVDFIHVYYQNHHFPAFNIADSAITLGTILLLIDTFFLEKQRPKNSDA
Complex: SER_D_(5DIR) / Model_4(5DIR/D) = [3.6] Download3216.7344.33MPNSQAKKGLFQFYPHNLIWLGLSVLAIVLDQWTKWIASTHMNYADPVPVLPFLNWTLLHNYGAAFSFLSDAGGWQRYFFTSLAGLVSILFVFWLLRMPKKMVVLPVAIALILGGALGNLIDRITLGYVVDFIHVYYQNHHFPAFNIADSAITLGTILLLIDTFFLEKQRPKNSDA
Consensus
[pKd Mean = 3.60]		-2426
(s=790)		47
(s=2)		MPNSQAKKGLFQFYPHNLIWLGLSVLAIVLDQWTKWIASTHMNYADPVPVLPFLNWTLLHNYGAAFSFLSDAGGWQRYFFTSLAGLVSILFVFWLLRMPKKMVVLPVAIALILGGALGNLIDRITLGYVVDFIHVYYQNHHFPAFNIADSAITLGTILLLIDTFFLEKQRPKNSDA



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]
ASN61CA322[C], 1[O],
ASN61N121[O],
ASN61OD1423[C], 1[O],
ASN61CB522[O], 3[C],
ASN61O421[O], 3[C],
ASN61C221[O], 1[C],
ASN61ND2621[N], 3[C], 2[O],
ASN61CG623[C], 2[O], 1[N],
TYR62C121[O],
TYR62CA222[O],
TYR62CE2523[C], 2[O],
TYR62CZ623[O], 3[C],
TYR62CD1422[C], 2[O],
TYR62N222[O],
TYR62CE1623[O], 3[C],
TYR62CG422[C], 2[O],
TYR62CD2422[C], 2[O],
TYR62O121[O],
TYR62CB221[C], 1[O],
GLY63CA221[O], 1[C],
GLY63O121[O],
GLY63N221[C], 1[O],
GLY63C221[C], 1[O],
ALA64N221[O], 1[C],
PHE80CD2121[O],
PHE80CE2121[O],
VAL107CB121[C],
VAL107CG1323[C],
LEU111CG222[C],
LEU111CD1626[C],
LEU111CD2323[C],
ASN119OD1421[N], 2[C], 1[O],
ASN119ND2521[N], 1[O], 3[C],
ASN119CG421[N], 2[C], 1[O],
ASN119CB322[C], 1[N],
ARG123NE322[C], 1[O],
ARG123CZ521[N], 1[O], 3[C],
VAL129CG1621[N], 2[O], 3[C],
VAL129CG2621[N], 3[C], 2[O],
VAL129CA321[O], 2[C],
VAL129C121[C],
VAL129CB622[O], 3[C], 1[N],
VAL129N121[O],
VAL129O121[C],
VAL130O221[C], 1[O],
VAL130N121[C],
VAL130C121[C],
ASP131CB221[C], 1[O],
ASP131OD2723[C], 3[O], 1[N],
ASP131CG523[C], 2[O],
ASP131OD1521[N], 1[O], 3[C],
ASP131CA221[C], 1[O],
PHE142CG221[C], 1[O],
PHE142CD2823[O], 5[C],
PHE142CE21024[O], 6[C],
PHE142CD1221[O], 1[C],
PHE142CE1522[O], 3[C],
PHE142CZ1024[O], 6[C],
PRO143O522[O], 3[C],
PRO143CG321[O], 2[C],
PRO143CA221[O], 1[C],
PRO143C322[C], 1[O],
PRO143CB422[C], 2[O],
PRO143N221[C], 1[O],
PRO143CD221[C], 1[O],
ALA144O623[C], 3[O],
ALA144CA221[O], 1[C],
ALA144C422[C], 2[O],
ALA144N221[C], 1[O],
PHE145CE1722[O], 5[C],
PHE145CE2826[C], 2[O],
PHE145CD21122[O], 9[C],
PHE145CD11023[O], 7[C],
PHE145O121[O],
PHE145CZ826[C], 2[O],
PHE145CA924[O], 5[C],
PHE145C121[O],
PHE145CG1023[O], 7[C],
PHE145N422[O], 2[C],
PHE145CB1227[C], 5[O],
ASN146ND2422[C], 1[O], 1[N],
ASN146CG221[C], 1[O],
ASN146OD1321[O], 1[C], 1[N],
ASN146CA121[O],
ASN146CB121[O],
ASN146N221[O], 1[C],
ASN146O222[C],
ASP149CA724[C], 2[O], 1[N],
ASP149OD21321[N], 8[C], 4[O],
ASP149CG1321[N], 8[C], 4[O],
ASP149OD1923[O], 5[C], 1[N],
ASP149N222[O],
ASP149C621[O], 5[C],
ASP149O826[C], 2[O],
ASP149CB1429[C], 4[O], 1[N],
SER150O929[C],
SER150CA921[O], 8[C],
SER150OG727[C],
SER150N721[O], 6[C],
SER150C727[C],
SER150CB828[C],
THR153OG1822[O], 6[C],
THR153CA222[C],
THR153CG2826[C], 2[O],
THR153CB826[C], 2[O],
LEU154N121[C],
LEU154CD110210[C],
LEU154CA424[C],
LEU154CG10210[C],
LEU154CD212212[C],
LEU154CB929[C],
LEU158CD1323[C],
LEU158CG222[C],
LEU158CD2323[C],
Total = 114



Download csv file of statistical distribution of contacts