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: ADP_A_5(5L22) / Model_66(5L22/A) = [3.3] Download772.7423.79MLKIVKRISLTSAIAAAVFMVIQVLADLYLPTLTSNIIDKGVAQGDVDYIWHTGFVMIGFSLISILAAIANTFFATRESQKLGKQLRTDVYKKSESLTKDAFDKYGTASLITRTTNDVTQIQMVTQMFLRMMINAPITLIGASILAYQKDHQLTKIFLVVIPVMIILIGGIMYFAVPLFKSMQKKTDRLNLVFREGLTGVRVIRAFDKTRFEENRFDLANKDYTNTAIKVNTIVALMMPMMTLIMSGTNVAITWFGGHYIADMTLEVGNLIAFMTYAMQILISFMMLSAIFIMVPRAQASADRINEVLDEKIGIHDPENPKTVSFAGKNATLAFNHVNYRYHGAEKLALEDIDFQAKSGEIVAIIGGTGSGKTTLVNLIPRLYDIESGSIQINGTDISDMTQYNLRELMGFVPQKAVLFSGTIRDNMQYGKPDATDEMIWKALEIAQAKDFVSEMEDGLDSHVEQGGGNFSGGQRQRLAIARALVKTADIYVFDDSFSALDFKTDANLRQALKTNMKESITVLVAQRVSTVMDADMILVLDEGKLVGKGTHEELLATNETYQEIVHSQLREEDLA
Consensus
[pKd Mean = 3.30]		-772
(s=0)		23
(s=0)		MLKIVKRISLTSAIAAAVFMVIQVLADLYLPTLTSNIIDKGVAQGDVDYIWHTGFVMIGFSLISILAAIANTFFATRESQKLGKQLRTDVYKKSESLTKDAFDKYGTASLITRTTNDVTQIQMVTQMFLRMMINAPITLIGASILAYQKDHQLTKIFLVVIPVMIILIGGIMYFAVPLFKSMQKKTDRLNLVFREGLTGVRVIRAFDKTRFEENRFDLANKDYTNTAIKVNTIVALMMPMMTLIMSGTNVAITWFGGHYIADMTLEVGNLIAFMTYAMQILISFMMLSAIFIMVPRAQASADRINEVLDEKIGIHDPENPKTVSFAGKNATLAFNHVNYRYHGAEKLALEDIDFQAKSGEIVAIIGGTGSGKTTLVNLIPRLYDIESGSIQINGTDISDMTQYNLRELMGFVPQKAVLFSGTIRDNMQYGKPDATDEMIWKALEIAQAKDFVSEMEDGLDSHVEQGGGNFSGGQRQRLAIARALVKTADIYVFDDSFSALDFKTDANLRQALKTNMKESITVLVAQRVSTVMDADMILVLDEGKLVGKGTHEELLATNETYQEIVHSQLREEDLA



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]
LEU349CD2413[O], 1[P],
LEU349CG212[O],
LEU349CD1111[O],
ILE364CG2111[O],
THR368OG1413[O], 1[P],
THR368CG2911[C], 2[P], 6[O],
SER370OG1012[P], 7[O], 1[C],
LYS372NZ1012[P], 7[O], 1[C],
LYS372CG912[P], 7[O],
LYS372CD612[P], 4[O],
LYS372CE816[O], 2[P],
THR373CG21111[N], 7[O], 2[P], 1[C],
THR373OG11212[C], 1[N], 7[O], 2[P],
THR374OG126110[C], 2[P], 9[O], 5[N],
THR374CG21511[P], 6[O], 2[N], 6[C],
VAL376CG2111[O],
ASN377CG211[P], 1[O],
ASN377ND21112[N], 5[O], 1[P], 3[C],
ASN377OD1111[O],
TYR383CE21015[N], 5[C],
TYR383CG211[N], 1[C],
TYR383CE1814[C], 1[O], 3[N],
TYR383CD2613[C], 3[N],
TYR383CD1512[N], 1[O], 2[C],
TYR383CZ1115[C], 5[N], 1[O],
GLN414OE1912[P], 7[O],
GLN414CG511[P], 4[O],
GLN414CD812[P], 6[O],
GLN414NE2816[O], 2[P],
LYS415NZ111[N],
ASP494OD2715[O], 2[P],
ASP494OD1615[O], 1[P],
ASP494CG413[O], 1[P],
VAL524CG2212[O],
VAL524CG1311[P], 2[O],
GLN526NE2111[O],
LEU540CD2111[O],
LEU540CD1614[O], 2[P],
LEU540CG311[P], 2[O],
Total = 39



Download csv file of statistical distribution of contacts