Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
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Binding Site Number :C1_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 C1_S1
Complex: PLP_B_5(4CVQ) / Model_36(4CVQ/B) = [4.9] Download396.7416.32MSQKKSVLFQQLLPVIKQYQQSGFTHEKIVELLKDQHDLNLVTVKTFKSYLYRYAKVNPAMSKNTATLQSMPTSREIKKSSKLEHVCYDIRGPVLRAANEMEEQGHKIIKLNIGNPAPFGFEAPQEIINDVALNLPNAIGYVDSKGIFPARKAICQYYQQKGILNMHVNDVYIGNGVSELIVMAMQGLLDDGDEMLIPMPDYPLWTAAVNLSGGTAIHYKCDEENSWYPDIADIESKITSNTRGIVIINPNNPTGSVYPRHVLEQIVALAKKHDLILFADEIYDKIVYDGIEHVAVASLAGDQLCISFNGLSKAYRIAGFRSGWMAITGDKSRAADYIEGLDMLASMRLCANVQAQYAIQTALGGYQSINDLIRPGGRLYEQRNIAWEMLNEIPGVSCVKPEGAMYCFPRLDPNIYPIEDDEKLMLDLLRAEKVLLVQGTGFNWPTPDHFRVVFLPAENELREAIGRLGRFLANRR
Consensus
[pKd Mean = 4.90]		-396
(s=0)		16
(s=0)		MSQKKSVLFQQLLPVIKQYQQSGFTHEKIVELLKDQHDLNLVTVKTFKSYLYRYAKVNPAMSKNTATLQSMPTSREIKKSSKLEHVCYDIRGPVLRAANEMEEQGHKIIKLNIGNPAPFGFEAPQEIINDVALNLPNAIGYVDSKGIFPARKAICQYYQQKGILNMHVNDVYIGNGVSELIVMAMQGLLDDGDEMLIPMPDYPLWTAAVNLSGGTAIHYKCDEENSWYPDIADIESKITSNTRGIVIINPNNPTGSVYPRHVLEQIVALAKKHDLILFADEIYDKIVYDGIEHVAVASLAGDQLCISFNGLSKAYRIAGFRSGWMAITGDKSRAADYIEGLDMLASMRLCANVQAQYAIQTALGGYQSINDLIRPGGRLYEQRNIAWEMLNEIPGVSCVKPEGAMYCFPRLDPNIYPIEDDEKLMLDLLRAEKVLLVQGTGFNWPTPDHFRVVFLPAENELREAIGRLGRFLANRR



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]
TYR88CZ616[C],
TYR88CE1817[C], 1[N],
ILE90CD1413[C], 1[O],
ILE113C111[C],
ILE113CD1212[C],
ILE113CG1111[C],
GLY114CA411[O], 3[C],
GLY114C312[C], 1[O],
GLY114N311[O], 2[C],
GLY114O715[C], 2[O],
ASN115CA111[C],
ASN115N111[C],
PRO116CD111[C],
GLY174C212[O],
GLY174O312[O], 1[P],
ASN175O611[P], 1[C], 4[O],
ASN175CB111[O],
ASN175C514[O], 1[P],
ASN175N212[O],
ASN175CA312[O], 1[P],
GLY176O811[P], 3[C], 4[O],
GLY176CA814[O], 3[C], 1[P],
GLY176C814[O], 3[C], 1[P],
GLY176N611[P], 1[C], 4[O],
VAL177C1211[N], 4[O], 6[C], 1[P],
VAL177O1111[N], 1[P], 5[C], 4[O],
VAL177N1111[P], 5[C], 4[O], 1[N],
VAL177CG11515[O], 8[C], 1[P], 1[N],
VAL177CB1511[N], 1[P], 8[C], 5[O],
VAL177CG21414[O], 8[C], 1[P], 1[N],
VAL177CA1314[O], 7[C], 1[P], 1[N],
SER178O711[P], 3[C], 3[O],
SER178N1314[O], 7[C], 1[P], 1[N],
SER178CA1311[P], 7[C], 4[O], 1[N],
SER178OG1411[N], 1[P], 7[C], 5[O],
SER178CB1311[N], 1[P], 7[C], 4[O],
SER178C911[P], 3[C], 4[O], 1[N],
GLU179CA311[P], 2[O],
GLU179CB111[O],
GLU179N711[P], 2[C], 4[O],
GLU179C111[O],
LEU180CG212[O],
LEU180CD1212[O],
LEU180N212[O],
ILE181CG2211[N], 1[C],
ILE181CA111[C],
ILE181CD11311[P], 7[C], 4[O], 1[N],
ILE181N211[C], 1[O],
ILE181CG11112[O], 7[C], 1[P], 1[N],
ILE181CB511[N], 1[O], 3[C],
ASP201O111[C],
ASP201C111[C],
TYR202CB1011[N], 1[O], 8[C],
TYR202CA816[C], 1[O], 1[N],
TYR202C611[O], 4[C], 1[N],
TYR202CE11212[O], 8[C], 1[P], 1[N],
TYR202CD21111[N], 2[O], 8[C],
TYR202CE21411[P], 8[C], 4[O], 1[N],
TYR202CG1112[O], 8[C], 1[N],
TYR202CD11111[N], 8[C], 2[O],
TYR202CZ1411[N], 1[P], 8[C], 4[O],
TYR202O514[C], 1[N],
TYR202N511[N], 3[C], 1[O],
PRO203N413[C], 1[N],
PRO203CD511[N], 1[O], 3[C],
LEU204CA311[N], 2[C],
LEU204C211[N], 1[C],
LEU204CB811[N], 7[C],
LEU204N411[N], 3[C],
LEU204CD21111[N], 2[O], 7[C], 1[P],
LEU204CG614[C], 1[O], 1[N],
LEU204CD1111[C],
TRP205N411[N], 3[C],
TRP205NE1811[N], 6[C], 1[O],
TRP205CD2413[C], 1[N],
TRP205CZ2413[C], 1[N],
TRP205CA111[N],
TRP205CG411[N], 3[C],
TRP205CB211[C], 1[N],
TRP205CD1816[C], 1[O], 1[N],
TRP205CE2413[C], 1[N],
ILE247C111[C],
ILE247O111[C],
ILE248N111[C],
ILE248CA311[N], 2[C],
ILE248CD1611[N], 4[C], 1[O],
ILE248O111[C],
ILE248CG1511[N], 3[C], 1[O],
ILE248C111[C],
ILE248CG2711[O], 5[C], 1[N],
ILE248CB511[N], 3[C], 1[O],
ASN249N111[C],
PRO250C111[C],
PRO250O411[O], 3[C],
ASN251CA211[C], 1[O],
ASN251C411[O], 3[C],
ASN251CG111[C],
ASN251O211[O], 1[C],
ASN251N111[C],
ASN251ND2111[C],
ASN251CB111[C],
ASN252OD1711[N], 5[C], 1[O],
ASN252C411[O], 3[C],
ASN252CG911[N], 7[C], 1[O],
ASN252ND21011[O], 8[C], 1[N],
ASN252CA611[N], 4[C], 1[O],
ASN252N511[N], 1[O], 3[C],
ASN252O513[C], 1[O], 1[N],
ASN252CB917[C], 1[O], 1[N],
PRO253CD111[C],
PRO253N211[O], 1[C],
PRO253CA211[O], 1[C],
ASP280N311[N], 2[C],
ASP280OD21111[N], 2[O], 8[C],
ASP280C514[C], 1[N],
ASP280CA514[C], 1[N],
ASP280CG1111[N], 8[C], 2[O],
ASP280OD11311[P], 8[C], 3[O], 1[N],
ASP280CB816[C], 1[O], 1[N],
ASP280O611[O], 4[C], 1[N],
GLU281CA312[C], 1[N],
GLU281N413[C], 1[N],
GLU281C411[N], 3[C],
ILE282CG11511[P], 8[C], 5[O], 1[N],
ILE282CG21411[N], 4[O], 8[C], 1[P],
ILE282CB1511[P], 8[C], 5[O], 1[N],
ILE282CA1213[O], 8[C], 1[N],
ILE282O1011[N], 7[C], 2[O],
ILE282C1012[O], 7[C], 1[N],
ILE282N911[N], 6[C], 2[O],
ILE282CD11511[P], 8[C], 5[O], 1[N],
TYR283CE21111[N], 2[O], 8[C],
TYR283CE11111[N], 8[C], 2[O],
TYR283CD1811[O], 6[C], 1[N],
TYR283CZ1112[O], 8[C], 1[N],
TYR283N715[C], 1[O], 1[N],
TYR283CA411[O], 3[C],
TYR283CD2911[N], 1[O], 7[C],
TYR283CB411[O], 3[C],
TYR283CG811[O], 6[C], 1[N],
PHE308CB411[N], 2[C], 1[O],
PHE308CG211[C], 1[N],
PHE308C211[C], 1[N],
PHE308O211[C], 1[N],
PHE308CD2211[N], 1[C],
ASN309C312[O], 1[P],
ASN309CA311[C], 2[O],
ASN309N312[O], 1[C],
ASN309O413[O], 1[P],
GLY310N413[O], 1[P],
GLY310CA514[O], 1[P],
GLY310O311[P], 2[O],
GLY310C413[O], 1[P],
LEU311N413[O], 1[P],
LEU311O212[O],
LEU311CB111[O],
LEU311CA312[O], 1[P],
LEU311C411[P], 3[O],
SER312O511[P], 1[C], 3[O],
SER312N714[O], 2[C], 1[P],
SER312C914[O], 4[C], 1[P],
SER312CA914[O], 4[C], 1[P],
SER312CB1215[O], 6[C], 1[P],
SER312OG1111[P], 6[C], 4[O],
LYS313CA814[O], 3[C], 1[P],
LYS313CE1515[O], 8[C], 1[P], 1[N],
LYS313CB1111[P], 6[C], 4[O],
LYS313CD1511[N], 1[P], 8[C], 5[O],
LYS313CG1515[O], 8[C], 1[P], 1[N],
LYS313N1011[P], 5[C], 4[O],
LYS313NZ1515[O], 8[C], 1[P], 1[N],
ILE317C212[O],
ILE317O312[O], 1[P],
ALA318N311[P], 2[O],
ALA318CB714[O], 2[C], 1[P],
ALA318CA614[O], 1[C], 1[P],
ALA318O611[P], 1[C], 4[O],
ALA318C511[P], 4[O],
GLY319N111[O],
GLY319CA111[O],
GLY319C111[O],
PHE320C212[O],
PHE320N111[O],
ARG321O413[O], 1[P],
ARG321CB413[O], 1[P],
ARG321CZ814[O], 3[C], 1[P],
ARG321C511[P], 4[O],
ARG321NE614[O], 1[C], 1[P],
ARG321CD511[P], 4[O],
ARG321N411[P], 3[O],
ARG321CA511[P], 4[O],
ARG321CG411[P], 3[O],
SER322OG111[O],
SER322CA413[O], 1[P],
SER322CB111[O],
SER322N514[O], 1[P],
SER322C511[P], 4[O],
SER322O514[O], 1[P],
GLY323O111[O],
GLY323C311[P], 2[O],
GLY323N511[P], 4[O],
GLY323CA514[O], 1[P],
TRP324N211[P], 1[O],
ALA404CB211[O], 1[C],
ALA404CA111[O],
MET405N111[O],
MET405CB111[O],
MET405SD111[C],
TYR406CE2615[C], 1[O],
TYR406CG111[O],
TYR406CD1111[O],
TYR406CZ711[O], 6[C],
TYR406CD2514[C], 1[O],
TYR406CE1413[C], 1[O],
ARG451CZ312[C], 1[O],
ARG451NE111[O],
Total = 216



Download csv file of statistical distribution of contacts