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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: DHJ_B_18(2HZY) / Model_32(2HZY/B) = [5.5] Download408.3220.29MSSSVPRPNFYLYKTRDEDKEAKMEQKLNSFIEVSPQSDFTIHNLPYGIFSRTAEGERQVGVAIGDWVIDLAALEKHGLLKLSDQDTYFNQPTLNKFIQSGKANWSKVRKTLQSLLSVDNLTLQENEALRQEVLVKQDSVTLHLPLQVSGYTDFYSSKEHATNVGCMFRAPKNALLPNWTELPVGYNGRASSVVVSGTQVVRPSGQIKHPNEERPVFSVTRKLDFELETAFVIGKPTELGQPISIENAWDHIFGMVLLNDWSARDIQQWEYVPLGPFNSKSFASAISPWVVTLEALEPFKVEGPKQEPKPLAYLQENIANSYDINLSVEIQSPKSTQPDVICRTNFKYMYWSMAQQLTHHTIGGCNVQVGDLMGSGTISGSTPDSYGSLLELTWNTTKPLTLANGETRGFLQDGDTLIMKGHCEKNGIRIGFGEVRNTVLPALTFDFAETSEPNYEAV
Complex: HBU_A_11(1HYO) / Model_5(1HYO/A) = [3.3] Download443.8723.60MSSSVPRPNFYLYKTRDEDKEAKMEQKLNSFIEVSPQSDFTIHNLPYGIFSRTAEGERQVGVAIGDWVIDLAALEKHGLLKLSDQDTYFNQPTLNKFIQSGKANWSKVRKTLQSLLSVDNLTLQENEALRQEVLVKQDSVTLHLPLQVSGYTDFYSSKEHATNVGCMFRAPKNALLPNWTELPVGYNGRASSVVVSGTQVVRPSGQIKHPNEERPVFSVTRKLDFELETAFVIGKPTELGQPISIENAWDHIFGMVLLNDWSARDIQQWEYVPLGPFNSKSFASAISPWVVTLEALEPFKVEGPKQEPKPLAYLQENIANSYDINLSVEIQSPKSTQPDVICRTNFKYMYWSMAQQLTHHTIGGCNVQVGDLMGSGTISGSTPDSYGSLLELTWNTTKPLTLANGETRGFLQDGDTLIMKGHCEKNGIRIGFGEVRNTVLPALTFDFAETSEPNYEAV
Consensus
[pKd Mean = 4.40]		-426
(s=17)		21
(s=1)		MSSSVPRPNFYLYKTRDEDKEAKMEQKLNSFIEVSPQSDFTIHNLPYGIFSRTAEGERQVGVAIGDWVIDLAALEKHGLLKLSDQDTYFNQPTLNKFIQSGKANWSKVRKTLQSLLSVDNLTLQENEALRQEVLVKQDSVTLHLPLQVSGYTDFYSSKEHATNVGCMFRAPKNALLPNWTELPVGYNGRASSVVVSGTQVVRPSGQIKHPNEERPVFSVTRKLDFELETAFVIGKPTELGQPISIENAWDHIFGMVLLNDWSARDIQQWEYVPLGPFNSKSFASAISPWVVTLEALEPFKVEGPKQEPKPLAYLQENIANSYDINLSVEIQSPKSTQPDVICRTNFKYMYWSMAQQLTHHTIGGCNVQVGDLMGSGTISGSTPDSYGSLLELTWNTTKPLTLANGETRGFLQDGDTLIMKGHCEKNGIRIGFGEVRNTVLPALTFDFAETSEPNYEAV



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]
TYR151CZ323[O],
ASP153N1026[C], 4[O],
ASP153CB1621[P], 7[O], 8[C],
ASP153CG2022[P], 8[C], 10[O],
ASP153OD222210[C], 10[O], 2[P],
ASP153CA1426[O], 8[C],
ASP153C1428[C], 6[O],
ASP153O1426[O], 8[C],
ASP153OD11822[P], 8[C], 8[O],
PHE154C1828[C], 8[O], 2[P],
PHE154CB824[O], 4[C],
PHE154N1426[O], 8[C],
PHE154CA1426[O], 8[C],
PHE154CG222[C],
PHE154O2222[P], 10[C], 10[O],
TYR155CA20210[C], 8[O], 2[P],
TYR155N1822[P], 8[O], 8[C],
TYR155CE12622[P], 12[C], 12[O],
TYR155CD226212[C], 12[O], 2[P],
TYR155O1428[C], 6[O],
TYR155C1728[O], 8[C], 1[P],
TYR155CG26212[O], 12[C], 2[P],
TYR155CD12622[P], 12[O], 12[C],
TYR155CZ26212[O], 12[C], 2[P],
TYR155CE22522[P], 12[C], 11[O],
TYR155CB24212[C], 10[O], 2[P],
SER156CA624[C], 2[O],
SER156CB222[O],
SER156N1125[O], 6[C],
SER156O222[O],
SER156OG222[O],
SER156C422[C], 2[O],
SER157N824[O], 4[C],
SER157CA422[C], 2[O],
SER157OG222[O],
SER157CB622[C], 4[O],
SER157C222[O],
SER157O422[C], 2[O],
HIS160CA725[O], 2[C],
HIS160NE226212[O], 12[C], 2[P],
HIS160CD225211[O], 12[C], 2[P],
HIS160CG2422[P], 11[C], 11[O],
HIS160N222[O],
HIS160CB1426[C], 6[O], 2[P],
HIS160C1422[P], 6[C], 6[O],
HIS160O1426[O], 6[C], 2[P],
HIS160CE12522[P], 11[O], 12[C],
HIS160ND12422[P], 11[O], 11[C],
ALA161CB1425[O], 8[C], 1[P],
ALA161N1425[O], 7[C], 2[P],
ALA161O824[O], 4[C],
ALA161C723[O], 4[C],
ALA161CA1528[C], 5[O], 2[P],
THR162N121[O],
THR162C121[O],
THR162O121[O],
ASN163C221[C], 1[O],
ASN163O121[O],
VAL164C921[P], 4[C], 4[O],
VAL164CG226212[C], 12[O], 2[P],
VAL164O823[O], 4[C], 1[P],
VAL164CB1922[P], 9[C], 8[O],
VAL164CG11722[P], 9[C], 6[O],
VAL164N1024[C], 4[O], 2[P],
VAL164CA1224[C], 6[O], 2[P],
GLY165C322[O], 1[C],
GLY165CA523[C], 2[O],
GLY165O322[O], 1[C],
GLY165N724[C], 3[O],
CYS166N121[O],
PHE168CG823[O], 4[C], 1[P],
PHE168CD21022[P], 4[O], 4[C],
PHE168N321[C], 2[O],
PHE168CA422[O], 2[C],
PHE168O121[O],
PHE168CB523[C], 2[O],
PHE168CZ1422[P], 6[C], 6[O],
PHE168CE11225[C], 5[O], 2[P],
PHE168CD11021[P], 4[O], 5[C],
PHE168CE21225[O], 5[C], 2[P],
PHE168C322[O], 1[C],
ARG169CZ522[O], 3[C],
ARG169CD422[C], 2[O],
ARG169CB321[C], 2[O],
ARG169CG322[O], 1[C],
ARG169CA121[O],
ARG169N321[C], 2[O],
ARG169NE523[C], 2[O],
ALA174O221[C], 1[O],
ALA174C121[O],
LEU176CG121[O],
LEU176CD1321[C], 2[O],
TRP179NE1222[O],
TRP179CD1121[O],
TRP179CZ2121[O],
VAL184CG1322[C], 1[O],
VAL184O822[O], 6[C],
VAL184C222[C],
VAL184CG2322[C], 1[O],
GLY185N222[C],
GLY185C626[C],
GLY185CA828[C],
TYR186CZ2322[P], 11[C], 10[O],
TYR186N826[C], 2[O],
TYR186CE22422[P], 10[O], 12[C],
TYR186CD1926[C], 2[O], 1[P],
TYR186CD223210[O], 11[C], 2[P],
TYR186O421[O], 3[C],
TYR186CA525[C],
TYR186CG1423[O], 9[C], 2[P],
TYR186CB822[O], 6[C],
TYR186CE11622[P], 6[O], 8[C],
ASP224OD2222[O],
GLU226CB20210[O], 8[C], 2[P],
GLU226CA1028[O], 2[C],
GLU226O422[C], 2[O],
GLU226N222[O],
GLU226CG2222[P], 10[O], 10[C],
GLU226CD2322[P], 10[O], 11[C],
GLU226C422[C], 2[O],
GLU226OE123211[C], 10[O], 2[P],
GLU226OE224212[C], 10[O], 2[P],
LEU227N222[O],
LEU227O622[C], 4[O],
LEU227C624[O], 2[C],
LEU227CA222[O],
GLU228CB924[C], 5[O],
GLU228OE22028[C], 10[O], 2[P],
GLU228OE11628[C], 8[O],
GLU228CA622[C], 4[O],
GLU228CD1721[P], 8[O], 8[C],
GLU228N222[O],
GLU228CG1226[O], 6[C],
LEU258CD2323[O],
ASP260CB1721[P], 9[O], 7[C],
ASP260C521[C], 4[O],
ASP260CA622[C], 4[O],
ASP260OD11421[P], 6[O], 7[C],
ASP260OD221210[O], 9[C], 2[P],
ASP260N323[O],
ASP260O1121[P], 4[C], 6[O],
ASP260CG20210[O], 8[C], 2[P],
TRP261O323[O],
TRP261C121[O],
TRP261N121[O],
SER262N121[O],
SER262CA323[O],
SER262CB1222[P], 4[C], 6[O],
SER262C121[O],
SER262OG1622[P], 6[C], 8[O],
ALA263N121[O],
ARG264CG222[O],
ARG264CZ2228[O], 12[C], 2[P],
ARG264CD922[P], 4[O], 3[C],
ARG264CB222[O],
ARG264CA222[O],
ARG264NE1322[P], 6[O], 5[C],
GLN267CG1822[P], 8[O], 8[C],
GLN267CA222[O],
GLN267C221[C], 1[O],
GLN267CD2022[P], 10[C], 8[O],
GLN267O321[O], 2[C],
GLN267CB1025[C], 3[O], 2[P],
GLN267NE22422[P], 12[C], 10[O],
GLN267OE11929[C], 8[O], 2[P],
GLN268N121[O],
GLN268CA121[O],
GLN268CG322[C], 1[O],
GLN268CB121[O],
TYR271O121[O],
TYR271CZ622[O], 4[C],
TYR271CE1921[P], 5[C], 3[O],
TYR271CG724[C], 3[O],
TYR271CB622[O], 4[C],
TYR271CD1923[O], 5[C], 1[P],
TYR271CA121[O],
TYR271C121[O],
TYR271CE2523[C], 2[O],
TYR271CD2622[O], 4[C],
VAL272CG2121[O],
VAL272N121[O],
GLY275C421[O], 3[C],
GLY275CA322[C], 1[O],
PRO276O121[C],
PRO276CB20210[C], 8[O], 2[P],
PRO276CA1522[P], 5[O], 8[C],
PRO276CG2222[P], 12[C], 8[O],
PRO276CD1927[O], 10[C], 2[P],
PRO276C422[O], 2[C],
PRO276N1525[O], 8[C], 2[P],
SER279OG922[P], 3[C], 4[O],
SER279CB222[O],
SER279C121[O],
SER279O323[O],
LYS280N323[O],
LYS280CD21211[C], 8[O], 2[P],
LYS280CE25212[C], 11[O], 2[P],
LYS280CB824[O], 4[C],
LYS280CA323[O],
LYS280CG1828[C], 8[O], 2[P],
LYS280NZ24210[O], 12[C], 2[P],
MET349CE421[C], 3[O],
MET349SD121[O],
GLY374O824[O], 4[C],
GLY374CA121[O],
GLY374C824[O], 4[C],
SER375O824[C], 4[O],
SER375CA824[O], 4[C],
SER375CB624[O], 2[C],
SER375OG622[C], 4[O],
SER375C1026[C], 4[O],
SER375N724[O], 3[C],
GLY376N1226[O], 6[C],
GLY376CA1828[C], 8[O], 2[P],
GLY376C1822[P], 8[O], 8[C],
GLY376O1426[C], 8[O],
THR377OG122210[O], 10[C], 2[P],
THR377C1226[C], 6[O],
THR377CB2222[P], 10[O], 10[C],
THR377CG21822[P], 6[C], 10[O],
THR377N2022[P], 8[C], 10[O],
THR377O1125[C], 6[O],
THR377CA1929[O], 8[C], 2[P],
ILE378CA624[O], 2[C],
ILE378C222[O],
ILE378CG1323[O],
ILE378N622[C], 4[O],
SER379OG121[O],
SER379N222[O],
GLY387O222[O],
SER388CB726[O], 1[P],
SER388OG725[O], 2[P],
LEU390CD21224[C], 6[O], 2[P],
LEU390CG621[P], 4[O], 1[C],
LEU390CB323[O],
GLU391CD222[O],
GLU391OE2921[P], 6[O], 2[C],
GLU391CG222[O],
GLU391OE1222[O],
Total = 239



Download csv file of statistical distribution of contacts