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 :C2_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 C2_S1
Complex: PPQ_L_(1FPY) / Model_43(1FPY/L) = [3.5] Download644.75-17.40MSMANKVLQLIQESGAKWVDFRFTDTKGKEQHVTYPADSIDEDTFEDGKMFDGSSIAGWKGIEASDMILRPDAETGFIDPFFAEPTVVVTCDVIEPSTGHGYERDPRSIARRAEEYLKSTGIGDTAFFGPEPEFFVFDEVKWDIDMSGARHTLIAEEAAWSTGKDYESGNSGHRPRVKGGYFPVPPVDSAQDMRAEMCAKIEDIMGPGRVEVHHHEVASCQLEIGVSFNTLVRKADEVQQFKYAVWNVAHQYAKTATFMPKPMVGDNGSGMHVHMSISKDGKNLFAGDEYAGLSEMALYFIGGIIKHARALNAITNPSTNSYKRLVPHFEAPIMLAYSARNRSASIRIPYVSNPKGKRIEARFPDPMMNPYLGFAALLMAGIDGIQNKIHPGEAADKNLYDLPPEEEVKIPTVAHSLDMALEALQADHEFLLKGGVFTKEMLDAYIELKTEDVRRLNTTTHPVEFDMYYSL
Consensus
[pKd Mean = 3.50]		-644
(s=0)		-17
(s=0)		MSMANKVLQLIQESGAKWVDFRFTDTKGKEQHVTYPADSIDEDTFEDGKMFDGSSIAGWKGIEASDMILRPDAETGFIDPFFAEPTVVVTCDVIEPSTGHGYERDPRSIARRAEEYLKSTGIGDTAFFGPEPEFFVFDEVKWDIDMSGARHTLIAEEAAWSTGKDYESGNSGHRPRVKGGYFPVPPVDSAQDMRAEMCAKIEDIMGPGRVEVHHHEVASCQLEIGVSFNTLVRKADEVQQFKYAVWNVAHQYAKTATFMPKPMVGDNGSGMHVHMSISKDGKNLFAGDEYAGLSEMALYFIGGIIKHARALNAITNPSTNSYKRLVPHFEAPIMLAYSARNRSASIRIPYVSNPKGKRIEARFPDPMMNPYLGFAALLMAGIDGIQNKIHPGEAADKNLYDLPPEEEVKIPTVAHSLDMALEALQADHEFLLKGGVFTKEMLDAYIELKTEDVRRLNTTTHPVEFDMYYSL



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]
GLU131OE2711[P], 3[C], 3[O],
GLU131OE1311[O], 1[P], 1[C],
GLU131CD311[O], 1[C], 1[P],
GLU131CG211[C], 1[O],
GLU133OE11114[O], 1[P], 1[N], 5[C],
GLU133OE21114[O], 1[P], 5[C], 1[N],
GLU133CG1114[O], 1[P], 1[N], 5[C],
GLU133CD1115[C], 1[N], 1[P], 4[O],
PHE135CE1111[N],
PHE135CZ111[N],
TYR181CD2311[P], 2[O],
TYR181CZ512[O], 2[C], 1[P],
TYR181CD1411[C], 1[P], 2[O],
TYR181CG312[O], 1[P],
TYR181CE2311[P], 2[O],
TYR181CE1512[O], 1[P], 2[C],
PHE182CE1111[O],
PHE182CZ111[O],
HIS214NE2311[O], 1[P], 1[C],
HIS214CG111[O],
HIS214ND1211[O], 1[P],
HIS214CE1512[O], 1[P], 2[C],
HIS214CD2111[O],
GLU216OE21114[O], 1[P], 1[N], 5[C],
GLU216CD1114[O], 1[N], 5[C], 1[P],
GLU216OE1911[P], 5[C], 1[N], 2[O],
GLU216CG1013[O], 1[P], 1[N], 5[C],
VAL217CG2811[N], 4[C], 1[P], 2[O],
VAL217CG1611[N], 2[C], 1[P], 2[O],
GLN221NE2911[N], 4[C], 1[P], 3[O],
GLN221OE1813[O], 4[C], 1[N],
GLN221CG211[C], 1[N],
GLN221CD712[O], 1[N], 4[C],
GLU223OE11013[O], 1[N], 5[C], 1[P],
GLU223CD611[O], 3[C], 1[N], 1[P],
GLU223OE2513[C], 1[P], 1[O],
GLU223CG211[P], 1[O],
LYS261CD111[O],
LYS261NZ411[N], 2[C], 1[O],
LYS261CE111[O],
ASN267OD11114[O], 1[P], 1[N], 5[C],
ASN267CG1014[O], 1[N], 4[C], 1[P],
ASN267ND2911[P], 4[C], 1[N], 3[O],
SER269OG512[O], 2[C], 1[N],
HIS272ND11111[P], 5[C], 1[N], 4[O],
HIS272CE11111[N], 5[C], 1[P], 4[O],
HIS272CG1114[O], 1[N], 5[C], 1[P],
HIS272NE21114[O], 1[P], 1[N], 5[C],
HIS272CD21114[O], 1[P], 5[C], 1[N],
HIS274NE2111[C],
ARG324CZ714[C], 1[N], 2[O],
ARG324CD613[C], 1[N], 2[O],
ARG324NE712[O], 1[N], 4[C],
ARG324CG612[O], 1[N], 3[C],
LEU325CG111[O],
LEU325CD2311[C], 2[O],
PHE329CG211[O], 1[C],
GLU330OE2911[P], 1[N], 5[C], 2[O],
GLU330CD1114[O], 1[P], 5[C], 1[N],
GLU330OE11114[O], 1[P], 1[N], 5[C],
GLU330CG1111[P], 1[N], 5[C], 4[O],
PRO332CD812[O], 1[N], 5[C],
PRO332CG512[O], 3[C],
ARG342CD211[O], 1[C],
ARG347CD111[C],
ARG347CZ111[C],
ARG347NE111[C],
GLU360OE1211[C], 1[P],
GLU360OE2411[P], 2[C], 1[O],
GLU360CD211[C], 1[P],
GLU360CG111[C],
ARG362CD1114[O], 1[P], 5[C], 1[N],
ARG362CG1015[C], 1[N], 1[P], 3[O],
ARG362CZ1114[O], 1[P], 1[N], 5[C],
ARG362NE1115[C], 1[N], 1[P], 4[O],
ASP365OD2111[O],
ASP365CG212[O],
PRO366CG311[C], 2[O],
PRO366CD311[C], 2[O],
Total = 79



Download csv file of statistical distribution of contacts