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 :C7_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 C7_S1
Complex: NAP_A_3(1PZ0) / Model_66(1PZ0/A) = [8.8] Download1981.2225.47MVFCFRLDKKEESAMAEIRIGHSQVYAEQLGLGANAVGGHNLFDGLEDETGKQVVRTALNSGINLIDTAYAYGNGRSEELIGEVLKEKEYDRSRVVIATKAAHVPNKGRTFDNSPEFLKQSVEDALKRLQTDYIDIFYIHFPDESTPKNESVATLHELKEAGKIRAVGVSNFTLEQLKEANADGYVDVVEDKYSLIHRQAEKELFPYLEKNKISFVPYFPLASGLLTGKYELGEEKQFGEGDPRKRNPDFQGERFREILTAVDVLRPIAKRYQATPAQLVLAWYMKNPRVSVVIPGAKRPEQVSDNVQALDLHLSNEDYQTIDEAFRGF
Consensus
[pKd Mean = 8.80]		-1981
(s=0)		25
(s=0)		MVFCFRLDKKEESAMAEIRIGHSQVYAEQLGLGANAVGGHNLFDGLEDETGKQVVRTALNSGINLIDTAYAYGNGRSEELIGEVLKEKEYDRSRVVIATKAAHVPNKGRTFDNSPEFLKQSVEDALKRLQTDYIDIFYIHFPDESTPKNESVATLHELKEAGKIRAVGVSNFTLEQLKEANADGYVDVVEDKYSLIHRQAEKELFPYLEKNKISFVPYFPLASGLLTGKYELGEEKQFGEGDPRKRNPDFQGERFREILTAVDVLRPIAKRYQATPAQLVLAWYMKNPRVSVVIPGAKRPEQVSDNVQALDLHLSNEDYQTIDEAFRGF



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]
ASN35OD12218[O], 11[C], 2[P], 1[N],
ASN35CG1917[O], 1[N], 1[P], 10[C],
ASN35ND21716[O], 9[C], 1[P], 1[N],
LEU42CG211[C], 1[O],
LEU42CD1611[O], 1[N], 4[C],
LEU42CD2311[O], 2[C],
PHE43CE2814[O], 1[P], 3[C],
PHE43CZ1212[P], 4[C], 6[O],
PHE43CE1513[O], 2[C],
PHE43CG111[O],
PHE43CD2111[O],
ASP67OD1911[O], 2[N], 6[C],
ASP67CG615[C], 1[O],
ASP67OD2611[O], 5[C],
TYR72CD2511[N], 3[C], 1[O],
TYR72CD1911[O], 7[C], 1[N],
TYR72CG513[C], 1[N], 1[O],
TYR72CE11512[N], 10[C], 3[O],
TYR72CE21012[O], 7[C], 1[N],
TYR72CZ1614[O], 10[C], 2[N],
LYS100CG511[O], 3[C], 1[N],
LYS100CD916[C], 2[N], 1[O],
LYS100NZ916[C], 2[N], 1[O],
LYS100CE911[O], 6[C], 2[N],
HIS103ND1111[N],
HIS103NE2211[N], 1[C],
HIS103CE1311[O], 1[N], 1[C],
TYR138CD1111[O],
TYR138CZ111[O],
TYR138CD2211[C], 1[O],
TYR138CE2211[O], 1[C],
TYR138CG111[O],
TYR138CE1111[O],
HIS140CE11112[O], 7[C], 2[N],
HIS140NE21313[O], 8[C], 2[N],
HIS140CG811[O], 5[C], 2[N],
HIS140CD21011[O], 7[C], 2[N],
HIS140ND1811[O], 5[C], 2[N],
PHE141CZ1012[O], 2[N], 6[C],
PHE141CG411[O], 1[N], 2[C],
PHE141CE2712[O], 2[N], 3[C],
PHE141CD1511[N], 3[C], 1[O],
PHE141CD2511[N], 3[C], 1[O],
PHE141CE1915[C], 2[N], 2[O],
SER170OG812[N], 5[C], 1[O],
ASN171OD11112[N], 7[C], 2[O],
ASN171CG812[O], 2[N], 4[C],
ASN171ND21112[O], 2[N], 7[C],
GLU190CD911[O], 6[C], 2[N],
GLU190CG911[O], 6[C], 2[N],
GLU190OE21418[C], 2[N], 4[O],
GLU190OE1916[C], 2[N], 1[O],
ASP191OD1311[O], 1[C], 1[N],
LYS192CE412[C], 2[O],
LYS192CG312[C], 1[O],
LYS192NZ311[C], 2[O],
LYS192CD412[O], 2[C],
SER194OG111[O],
VAL216CG1212[C],
TYR218CE21715[O], 2[N], 10[C],
TYR218CG2419[O], 2[N], 2[P], 11[C],
TYR218CE12218[O], 2[N], 1[P], 11[C],
TYR218CD125110[O], 11[C], 2[P], 2[N],
TYR218CD21912[N], 11[C], 1[P], 5[O],
TYR218CZ2011[P], 11[C], 2[N], 6[O],
PHE219CG23110[O], 1[N], 2[P], 10[C],
PHE219CZ19110[O], 7[C], 2[P],
PHE219CE12412[P], 9[C], 1[N], 12[O],
PHE219CD21712[P], 5[C], 1[N], 9[O],
PHE219CE21518[O], 2[P], 5[C],
PHE219CD126112[O], 11[C], 2[P], 1[N],
PRO220CG1318[O], 2[P], 3[C],
PRO220CD1818[O], 8[C], 2[P],
LEU221CD22115[N], 10[C], 1[P], 5[O],
LEU221CG2615[N], 10[C], 2[P], 9[O],
LEU221CD12715[N], 10[C], 2[P], 10[O],
SER223OG21110[O], 9[C], 2[P],
LEU226CD1111[O],
LEU226CG111[O],
THR227CG22216[O], 10[C], 1[P], 5[N],
THR227OG12418[O], 1[P], 10[C], 5[N],
LYS229NZ2116[O], 1[P], 10[C], 4[N],
LYS229CD2116[O], 5[N], 9[C], 1[P],
LYS229CG1913[N], 9[C], 1[P], 6[O],
LYS229CE2216[O], 5[N], 10[C], 1[P],
TYR230CZ1114[O], 1[P], 5[C], 1[N],
TYR230CE1513[O], 1[N], 1[C],
TYR230CD2211[O], 1[N],
TYR230CE21014[O], 5[C], 1[N],
ARG244CG111[O],
ARG244CD111[O],
ARG244CZ212[O],
ARG244NE111[O],
PHE250CZ111[O],
THR275CG2412[N], 2[C],
THR275OG1814[C], 4[N],
PRO276CG111[N],
PRO276CD412[N], 2[C],
GLN278CG211[N], 1[C],
GLN278NE2513[N], 2[C],
GLN278OE1111[N],
GLN278CD211[C], 1[N],
LEU281CD1813[N], 5[C],
LEU281CD2411[N], 2[C], 1[O],
LEU281CG512[C], 2[N], 1[O],
TYR284CE2111[O],
ILE294CD11216[C], 1[P], 1[N], 4[O],
ILE294CG11011[N], 1[P], 4[C], 4[O],
ILE294CG2212[C],
PRO295CG311[O], 1[N], 1[C],
PRO295CD212[O],
LYS298CE815[O], 2[C], 1[P],
LYS298CG614[O], 1[P], 1[C],
LYS298CD611[P], 1[C], 4[O],
LYS298NZ811[P], 2[C], 5[O],
ARG299CZ111[O],
GLN302CG813[C], 1[P], 2[N], 2[O],
GLN302CD1014[O], 2[N], 3[C], 1[P],
GLN302NE21611[P], 6[C], 5[N], 4[O],
GLN302OE1511[P], 1[N], 3[O],
ASP305OD21015[N], 5[C],
ASP305OD1512[C], 3[N],
ASP305CG513[N], 2[C],
ASN306ND2512[N], 3[C],
ASN306CG613[N], 3[C],
ASN306OD1814[N], 4[C],
Total = 126



Download csv file of statistical distribution of contacts