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 :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: FAD_C_3(2NPX) / Model_6(2NPX/A) = [12.3] Download880.7024.98MEKIKVVIVGASHGGHQSILELLTRYGENVDITLFEAGDYISFMSCGMELYLEDKVTDVNDVRNFRPENFPQSNVHILNNHEVKTIDADKKTVTVTSASDNETKEYPYDKLILSSGVKPNNLPVPGADLENVYLMRGYNWATKIKEKLNDPAIKKIAVVGAGYIGIEAAEASRKAGKEVVLLDVIDRPLGTYLDAEMTDILEQHLNENGIEVLTNAKIEAFTGNGKVEAIKTSEKEIPADLVIQAAGVKANTEWLKGIVDLDERGWIQTNEYLQTNLPDVYAVGDATLAYSIPARKKMPIALATVARREARYVVKHLFEEVPNKPFGGVVGSSALSVFDYHFAASGLNSFTAAKAGVDVRVSYYEDTLRPKYVPEEQGNPKVSIQLFSDPMTHQLLGGAVLSTYDVTGQGNVLALAIQNKLTLEELAEADFFFQPGFDRQWSMLNLAAQQALGEEPFVE
Consensus
[pKd Mean = 12.30]
-880
(s=0)
24
(s=0)
MEKIKVVIVGASHGGHQSILELLTRYGENVDITLFEAGDYISFMSCGMELYLEDKVTDVNDVRNFRPENFPQSNVHILNNHEVKTIDADKKTVTVTSASDNETKEYPYDKLILSSGVKPNNLPVPGADLENVYLMRGYNWATKIKEKLNDPAIKKIAVVGAGYIGIEAAEASRKAGKEVVLLDVIDRPLGTYLDAEMTDILEQHLNENGIEVLTNAKIEAFTGNGKVEAIKTSEKEIPADLVIQAAGVKANTEWLKGIVDLDERGWIQTNEYLQTNLPDVYAVGDATLAYSIPARKKMPIALATVARREARYVVKHLFEEVPNKPFGGVVGSSALSVFDYHFAASGLNSFTAAKAGVDVRVSYYEDTLRPKYVPEEQGNPKVSIQLFSDPMTHQLLGGAVLSTYDVTGQGNVLALAIQNKLTLEELAEADFFFQPGFDRQWSMLNLAAQQALGEEPFVE



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]
VAL9CG21216[C], 1[O], 5[N],
VAL9CG11712[O], 5[N], 10[C],
SER12OG25110[C], 2[P], 13[O],
HIS13CG21110[O], 2[N], 7[C], 2[P],
HIS13NE22812[P], 13[C], 4[N], 9[O],
HIS13CE12411[P], 11[C], 4[N], 8[O],
HIS13CD22914[N], 11[O], 2[P], 12[C],
HIS13ND11813[N], 7[O], 1[P], 7[C],
PHE35CE2211[C], 1[N],
PHE35CD1311[C], 2[N],
PHE35CE1111[C],
PHE35CG512[N], 3[C],
PHE35CD2311[C], 2[N],
GLU36CD18110[C], 4[N], 4[O],
GLU36CG1513[O], 3[N], 9[C],
GLU36OE21814[O], 4[N], 10[C],
GLU36OE12011[P], 10[C], 4[N], 5[O],
ILE41CD1111[O],
SER42OG111[O],
PHE43CE2111[C],
MET44CG1317[C], 3[N], 3[O],
MET44SD312[C], 1[O],
MET44CE1214[N], 3[O], 5[C],
SER45OG2015[O], 2[N], 12[C], 1[P],
CYS46SG27117[C], 6[O], 4[N],
MET48SD717[C],
MET48CG515[C],
MET48CE818[C],
GLU49OE1311[N], 1[O], 1[C],
PHE65CE2111[O],
PHE65CZ111[O],
GLU82OE1814[C], 4[N],
GLU82CD1015[N], 5[C],
GLU82OE21015[C], 5[N],
GLU82CG1215[N], 1[O], 6[C],
VAL83CG2915[N], 4[C],
VAL83CG1814[N], 4[C],
LYS84CG111[N],
ILE86CG1111[N],
ILE86CD1111[N],
VAL95CG1111[N],
LEU113CD2614[C], 2[N],
LEU113CD1111[N],
LEU113CG111[N],
SER114OG1712[P], 6[C], 9[O],
SER115OG1912[P], 8[C], 3[N], 6[O],
VAL117CG221110[O], 2[P], 9[C],
VAL117CG11312[P], 4[C], 7[O],
LYS118CD1211[P], 6[C], 2[N], 3[O],
LYS118CG513[C], 1[N], 1[O],
LYS118CE1815[O], 3[N], 9[C], 1[P],
LYS118NZ1919[C], 1[P], 5[O], 4[N],
PRO119CG111[C],
PRO119CD211[O], 1[C],
MET135SD515[C],
MET135CE717[C],
MET135CG616[C],
ARG136CZ2812[P], 16[C], 1[N], 9[O],
ARG136NE2311[P], 14[C], 1[N], 7[O],
ARG136CD22115[C], 1[P], 6[O],
ARG136CG1911[P], 12[C], 6[O],
ILE144CD1111[C],
TYR163CD1111[N],
TYR163CZ211[N], 1[C],
TYR163CD21418[C], 4[N], 2[O],
TYR163CG1016[C], 1[O], 3[N],
TYR163CE2913[N], 2[O], 4[C],
ILE164CD11511[O], 2[N], 12[C],
ILE164CG2818[C],
ILE164CG113111[C], 2[N],
GLU167CG614[C], 1[O], 1[N],
GLU167OE11412[N], 1[O], 11[C],
GLU167CD1411[O], 2[N], 11[C],
GLU167OE214110[C], 1[O], 3[N],
VAL248CG2712[O], 5[C],
VAL248CG1311[C], 2[O],
ASN251OD119110[C], 5[N], 4[O],
ASN251ND2916[C], 3[N],
ASN251CG1719[C], 5[N], 3[O],
TRP254CZ3815[C], 3[N],
TRP254CE21015[N], 5[C],
TRP254CD2713[N], 4[C],
TRP254NE1814[N], 4[C],
TRP254CE3512[C], 3[N],
TRP254CG613[C], 3[N],
TRP254CZ21015[C], 5[N],
TRP254CD1613[C], 3[N],
LEU255CD2111[N],
LEU255CG111[N],
TRP266CZ3111[O],
VAL283CG2111[O],
VAL283CG1514[O], 1[P],
ASP285CG2312[N], 10[O], 2[P], 9[C],
ASP285OD225110[O], 2[N], 11[C], 2[P],
ASP285OD124111[O], 2[N], 9[C], 2[P],
THR287CG2111[O],
THR287OG1111[O],
LEU302CD11012[O], 3[N], 5[C],
LEU302CG1513[O], 4[N], 8[C],
LEU302CD219111[C], 4[N], 4[O],
THR304CG2512[N], 1[O], 2[C],
THR304OG1712[O], 2[N], 3[C],
VAL305CG2212[O],
VAL305CG1111[O],
ARG307CG513[O], 2[C],
ARG307CD411[C], 3[O],
GLU309CD111[O],
GLU309OE1312[O], 1[P],
SER333OG211[O], 1[N],
LEU335CD2111[O],
LEU335CD1712[N], 1[O], 4[C],
LEU335CG111[O],
Total = 112



Download csv file of statistical distribution of contacts