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 :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: NDP_C_3(1A4I) / Model_35(1A4I/A) = [10.1] Download1887.6520.83MAELINGKELAEKMQAEIAEKIQKLKDNGIHPGLVVLLVGENPASQIYVRNKERVAKEIGIHSLVERYPETISEDELLAEIEKYNQDPSFHGILVQLPLPKHIDEEKILLAIRPEKDVDGFHPMNLGRLLAGKPDKIPCTPYGIMKMFEAYSIDPAGKRAVVIGRSNIVGKPMAQLLLMADATVTVAHSKTENLAELAQEADILVVAIGRGHFVTKEFVKPGAVVIDVGMNRDANGKLIGDVKFDEVEPIAGWITPVPKGVGPMTITMLMYQTVKSAEAFGAGE
Complex: NAP_D_4(1DIB) / Model_27(1DIB/B) = [9.0] Download1748.2818.17MAELINGKELAEKMQAEIAEKIQKLKDNGIHPGLVVLLVGENPASQIYVRNKERVAKEIGIHSLVERYPETISEDELLAEIEKYNQDPSFHGILVQLPLPKHIDEEKILLAIRPEKDVDGFHPMNLGRLLAGKPDKIPCTPYGIMKMFEAYSIDPAGKRAVVIGRSNIVGKPMAQLLLMADATVTVAHSKTENLAELAQEADILVVAIGRGHFVTKEFVKPGAVVIDVGMNRDANGKLIGDVKFDEVEPIAGWITPVPKGVGPMTITMLMYQTVKSAEAFGAGE
Complex: NAD_B_5(3P2O) / Model_46(3P2O/B) = [6.0] Download1589.7018.10MAELINGKELAEKMQAEIAEKIQKLKDNGIHPGLVVLLVGENPASQIYVRNKERVAKEIGIHSLVERYPETISEDELLAEIEKYNQDPSFHGILVQLPLPKHIDEEKILLAIRPEKDVDGFHPMNLGRLLAGKPDKIPCTPYGIMKMFEAYSIDPAGKRAVVIGRSNIVGKPMAQLLLMADATVTVAHSKTENLAELAQEADILVVAIGRGHFVTKEFVKPGAVVIDVGMNRDANGKLIGDVKFDEVEPIAGWITPVPKGVGPMTITMLMYQTVKSAEAFGAGE
Complex: L34_A_6(4B4V) / Model_6(4B4V/A) = [5.7] Download1656.0740.36MAELINGKELAEKMQAEIAEKIQKLKDNGIHPGLVVLLVGENPASQIYVRNKERVAKEIGIHSLVERYPETISEDELLAEIEKYNQDPSFHGILVQLPLPKHIDEEKILLAIRPEKDVDGFHPMNLGRLLAGKPDKIPCTPYGIMKMFEAYSIDPAGKRAVVIGRSNIVGKPMAQLLLMADATVTVAHSKTENLAELAQEADILVVAIGRGHFVTKEFVKPGAVVIDVGMNRDANGKLIGDVKFDEVEPIAGWITPVPKGVGPMTITMLMYQTVKSAEAFGAGE
Complex: 9L9_A_6(4B4W) / Model_7(4B4W/A) = [5.0] Download1381.6640.26MAELINGKELAEKMQAEIAEKIQKLKDNGIHPGLVVLLVGENPASQIYVRNKERVAKEIGIHSLVERYPETISEDELLAEIEKYNQDPSFHGILVQLPLPKHIDEEKILLAIRPEKDVDGFHPMNLGRLLAGKPDKIPCTPYGIMKMFEAYSIDPAGKRAVVIGRSNIVGKPMAQLLLMADATVTVAHSKTENLAELAQEADILVVAIGRGHFVTKEFVKPGAVVIDVGMNRDANGKLIGDVKFDEVEPIAGWITPVPKGVGPMTITMLMYQTVKSAEAFGAGE
Consensus
[pKd Mean = 7.16]
-1652
(s=168)
27
(s=10)
MAELINGKELAEKMQAEIAEKIQKLKDNGIHPGLVVLLVGENPASQIYVRNKERVAKEIGIHSLVERYPETISEDELLAEIEKYNQDPSFHGILVQLPLPKHIDEEKILLAIRPEKDVDGFHPMNLGRLLAGKPDKIPCTPYGIMKMFEAYSIDPAGKRAVVIGRSNIVGKPMAQLLLMADATVTVAHSKTENLAELAQEADILVVAIGRGHFVTKEFVKPGAVVIDVGMNRDANGKLIGDVKFDEVEPIAGWITPVPKGVGPMTITMLMYQTVKSAEAFGAGE



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]
LYS8CG252[O],
LYS8CD252[O],
LYS8CE151[O],
ASN42ND2351[C], 2[N],
SER45OG1156[C], 1[O], 4[N],
ILE47CG22456[O], 2[N], 16[C],
ILE47CG1753[C], 4[O],
ILE47CD1854[O], 4[C],
TYR48CE172517[O], 11[N], 44[C],
TYR48CZ76512[N], 17[O], 47[C],
TYR48CG66540[C], 13[O], 13[N],
TYR48CD167543[C], 13[O], 11[N],
TYR48CD269514[N], 15[O], 40[C],
TYR48CE275547[C], 14[O], 14[N],
VAL49CG2952[O], 4[N], 3[C],
ASN51CG2752[N], 6[O], 19[C],
ASN51OD12055[O], 2[N], 13[C],
ASN51ND23854[N], 10[O], 24[C],
LYS52CE4656[O], 13[N], 27[C],
LYS52CD35519[C], 12[N], 4[O],
LYS52CG25514[C], 6[N], 5[O],
LYS52NZ45527[C], 5[O], 13[N],
VAL55CG2151[O],
LEU94CG2158[C], 9[N], 4[O],
LEU94CD124510[C], 4[O], 10[N],
LEU94CD224510[C], 4[O], 10[N],
VAL95CG2252[N],
VAL95CG1652[C], 4[N],
GLN96CG3054[O], 12[N], 14[C],
GLN96CD36520[C], 12[N], 4[O],
GLN96OE13454[O], 12[N], 18[C],
GLN96NE244513[N], 5[O], 26[C],
LEU97CG22510[C], 2[O], 10[N],
LEU97CD123510[C], 3[O], 10[N],
LEU97CD22059[N], 1[O], 10[C],
PRO98CD1659[C], 7[N],
PRO98CG754[N], 3[C],
GLU105OE1853[C], 5[N],
GLU105CD755[N], 2[C],
GLU105CG252[N],
GLU105OE21056[N], 4[C],
LEU109CD1452[C], 2[N],
LEU109CD2856[N], 2[C],
LEU109CG452[N], 2[C],
ILE112CD1252[N],
ASP119OD226512[C], 4[O], 10[N],
ASP119OD126511[C], 11[N], 4[O],
ASP119CG25511[C], 4[O], 10[N],
PHE121CE22354[O], 10[N], 9[C],
PHE121CZ3254[O], 10[N], 18[C],
PHE121CD21852[O], 8[N], 8[C],
PHE121CD11757[N], 2[O], 8[C],
PHE121CE12654[O], 10[N], 12[C],
PHE121CG1658[C], 2[O], 6[N],
CYS139SG41524[C], 12[N], 5[O],
THR140CG27251[P], 16[O], 10[N], 45[C],
THR140OG182516[O], 16[N], 50[C],
PRO141CD12510[C], 2[O],
ILE144CD1451[N], 2[O], 1[C],
ILE163CG120511[C], 6[N], 3[O],
ILE163CG254530[C], 15[N], 9[O],
ILE163CD11556[N], 9[C],
ARG165CG46519[O], 6[N], 3[P], 18[C],
ARG165CD37513[C], 6[N], 16[O], 2[P],
ARG165CZ32513[C], 2[N], 15[O], 2[P],
ARG165NE43517[C], 6[N], 18[O], 2[P],
SER166OG77536[C], 32[O], 3[N], 6[P],
ILE168CG16156[P], 12[N], 19[O], 24[C],
ILE168CG278514[N], 21[O], 4[P], 39[C],
ILE168CD15954[P], 13[N], 18[O], 24[C],
VAL169CG152531[C], 3[P], 3[N], 15[O],
VAL169CG2102548[C], 16[N], 32[O], 6[P],
PRO172CD151[O],
VAL186CG1353[O],
HIS188NE21552[C], 2[P], 2[N], 9[O],
HIS188CG4952[P], 15[O], 9[N], 23[C],
HIS188ND142518[C], 2[P], 9[N], 13[O],
HIS188CE12055[C], 2[P], 10[O], 3[N],
HIS188CD234515[C], 2[P], 4[N], 13[O],
SER189OG61529[C], 15[O], 15[N], 2[P],
LYS190CG1158[O], 2[P], 1[C],
LYS190CD1058[O], 2[P],
LYS190CE952[P], 7[O],
LYS190NZ1058[O], 2[P],
THR191OG11753[O], 6[N], 8[C],
THR191CG2956[N], 3[C],
LEU194CG2159[N], 12[C],
LEU194CD228515[N], 13[C],
LEU194CD122512[C], 10[N],
LEU197CD2151[C],
VAL206CG12154[O], 5[N], 12[C],
ILE208CG17551[P], 15[N], 21[O], 38[C],
ILE208CD152530[C], 7[O], 15[N],
ILE208CG280539[C], 23[O], 15[N], 3[P],
ARG210CD4054[O], 15[N], 21[C],
ARG210CZ50524[C], 15[N], 9[O], 2[P],
ARG210NE44523[C], 15[N], 6[O],
ARG210CG48528[C], 15[N], 5[O],
PHE213CD129515[C], 13[N], 1[O],
PHE213CZ3051[O], 14[N], 15[C],
PHE213CE129515[C], 1[O], 13[N],
PHE213CD23051[O], 14[N], 15[C],
PHE213CE230514[N], 1[O], 15[C],
PHE213CG29515[C], 14[N],
VAL214CG21056[N], 4[C],
ASP227OD11358[C], 5[O],
ASP227CG151[O],
VAL228CG16553[P], 6[N], 23[O], 33[C],
VAL228CG25055[N], 14[O], 31[C],
MET230CE70542[C], 8[N], 20[O],
MET230CG82552[C], 22[O], 8[N],
MET230SD71542[C], 8[N], 21[O],
ASN231CG21513[C], 8[O],
ASN231OD124514[C], 10[O],
ASN231ND224514[C], 1[N], 9[O],
LEU238CD1353[O],
LEU238CD2151[N],
ASP241OD263521[O], 6[N], 3[P], 33[C],
ASP241CG3553[N], 14[O], 18[C],
ASP241OD13453[N], 13[O], 18[C],
PRO256CG252[O],
VAL257CG2652[C], 4[O],
VAL257CG11755[O], 4[N], 8[C],
PRO258CG1957[O], 2[N], 10[C],
PRO258CD1559[C], 4[O], 2[N],
LYS259CD552[C], 3[O],
LYS259CG1154[O], 7[C],
LYS259CE452[C], 2[O],
VAL261CG155537[C], 8[N], 10[O],
VAL261CG21459[C], 3[O], 2[N],
PRO263CG26515[C], 7[O], 4[N],
PRO263CD37524[C], 9[O], 4[N],
THR265OG167511[O], 14[N], 42[C],
THR265CG271544[C], 9[O], 18[N],
ILE266CD140510[O], 6[N], 24[C],
ILE266CG13958[N], 8[O], 23[C],
ILE266CG21153[O], 8[C],
MET268CE652[O], 2[N], 2[C],
MET268SD252[O],
LEU269CD21557[C], 4[N], 4[O],
LEU269CD11054[C], 2[O], 4[N],
LEU269CG853[C], 3[O], 2[N],
Total = 142



Download csv file of statistical distribution of contacts