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 :C8_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 C8_S1
Complex: R5P_A_2(3UW1) / Model_20(3UW1/A) = [4.7] Download574.942.95MDAKMNLKQLAGIEAAKFVKDGMIVGLGTGSTAYYMVEEIGRRMREEGLRITGVTTSNATKEQAEKLGIPLKSIDEVPVVDLTIDGADEISADFQGIKGGGAALLFEKIVATYSKETIWIVDSSKLVDKLGKFPLPVEVIPYGSQQLLHIFEEKRFQPVLRTDENGEVLTTDGGHYIIDLHLEVIEQPESLATYLDELVGVVEHGLFLNMVSKVVVGSEKGVEILDAIRRK
Complex: ABF_A_3(1O8B) / Model_15(1O8B/A) = [4.5] Download332.256.63MDAKMNLKQLAGIEAAKFVKDGMIVGLGTGSTAYYMVEEIGRRMREEGLRITGVTTSNATKEQAEKLGIPLKSIDEVPVVDLTIDGADEISADFQGIKGGGAALLFEKIVATYSKETIWIVDSSKLVDKLGKFPLPVEVIPYGSQQLLHIFEEKRFQPVLRTDENGEVLTTDGGHYIIDLHLEVIEQPESLATYLDELVGVVEHGLFLNMVSKVVVGSEKGVEILDAIRRK
Complex: DER_A_17(1LK7) / Model_9(1LK7/A) = [4.1] Download535.004.22MDAKMNLKQLAGIEAAKFVKDGMIVGLGTGSTAYYMVEEIGRRMREEGLRITGVTTSNATKEQAEKLGIPLKSIDEVPVVDLTIDGADEISADFQGIKGGGAALLFEKIVATYSKETIWIVDSSKLVDKLGKFPLPVEVIPYGSQQLLHIFEEKRFQPVLRTDENGEVLTTDGGHYIIDLHLEVIEQPESLATYLDELVGVVEHGLFLNMVSKVVVGSEKGVEILDAIRRK
Complex: A5P_A_4(1UJ6) / Model_5(1UJ6/A) = [4.0] Download551.065.85MDAKMNLKQLAGIEAAKFVKDGMIVGLGTGSTAYYMVEEIGRRMREEGLRITGVTTSNATKEQAEKLGIPLKSIDEVPVVDLTIDGADEISADFQGIKGGGAALLFEKIVATYSKETIWIVDSSKLVDKLGKFPLPVEVIPYGSQQLLHIFEEKRFQPVLRTDENGEVLTTDGGHYIIDLHLEVIEQPESLATYLDELVGVVEHGLFLNMVSKVVVGSEKGVEILDAIRRK
Complex: 5RP_A_5(4M8L) / Model_75(4M8L/A) = [3.6] Download427.286.94MDAKMNLKQLAGIEAAKFVKDGMIVGLGTGSTAYYMVEEIGRRMREEGLRITGVTTSNATKEQAEKLGIPLKSIDEVPVVDLTIDGADEISADFQGIKGGGAALLFEKIVATYSKETIWIVDSSKLVDKLGKFPLPVEVIPYGSQQLLHIFEEKRFQPVLRTDENGEVLTTDGGHYIIDLHLEVIEQPESLATYLDELVGVVEHGLFLNMVSKVVVGSEKGVEILDAIRRK
Consensus
[pKd Mean = 4.18]
-484
(s=91)
5
(s=1)
MDAKMNLKQLAGIEAAKFVKDGMIVGLGTGSTAYYMVEEIGRRMREEGLRITGVTTSNATKEQAEKLGIPLKSIDEVPVVDLTIDGADEISADFQGIKGGGAALLFEKIVATYSKETIWIVDSSKLVDKLGKFPLPVEVIPYGSQQLLHIFEEKRFQPVLRTDENGEVLTTDGGHYIIDLHLEVIEQPESLATYLDELVGVVEHGLFLNMVSKVVVGSEKGVEILDAIRRK



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]
LYS8CD2464[P], 2[C], 18[O],
LYS8CE3067[C], 4[P], 19[O],
LYS8NZ32621[O], 4[P], 7[C],
LYS8CG21615[O], 2[C], 4[P],
THR29OG139622[C], 17[O],
THR29CG267634[O], 3[P], 30[C],
SER31OG54618[C], 5[P], 31[O],
THR32CG240626[O], 9[C], 5[P],
THR32OG15765[P], 19[C], 33[O],
TYR34CG867[O], 1[P],
TYR34CE2961[P], 8[O],
TYR34CZ766[O], 1[P],
TYR34CD1665[O], 1[P],
TYR34CD21068[O], 1[P], 1[C],
TYR34CE1867[O], 1[P],
TYR35CD1761[C], 6[O],
TYR35CE2161[O],
TYR35CE1766[O], 1[C],
TYR35CD2161[O],
THR56OG124613[O], 11[C],
THR56CG2261[O], 1[C],
SER57OG663[C], 3[O],
ASP85CG59631[O], 28[C],
ASP85OD168630[C], 4[P], 34[O],
ASP85OD255627[O], 27[C], 1[P],
ASP88CG80645[O], 5[P], 30[C],
ASP88OD180645[O], 5[P], 30[C],
ASP88OD27365[P], 30[C], 38[O],
ILE97CG21666[C], 10[O],
LYS98CD49628[C], 21[O],
LYS98CG55626[O], 29[C],
LYS98CE53624[O], 29[C],
LYS98NZ6663[P], 30[C], 33[O],
LEU104CD11364[C], 9[O],
LEU104CD21365[C], 8[O],
LEU104CG1769[O], 8[C],
GLU107OE258628[O], 29[C], 1[P],
GLU107OE158630[C], 28[O],
GLU107CG42621[O], 21[C],
GLU107CD55628[C], 27[O],
TRP119CD1161[O],
TRP119CE3662[O], 4[C],
TRP119CD2161[O],
TRP119CZ3965[C], 4[O],
TRP119CZ2262[O],
ILE120CD1767[O],
ILE120CG11162[C], 9[O],
ILE120CG2161[O],
VAL121CG2161[O],
VAL121CG14065[P], 12[C], 23[O],
ASP122CG1462[P], 1[C], 11[O],
ASP122OD21964[P], 15[O],
ASP122OD11168[O], 2[C], 1[P],
SER124OG464[O],
LYS125CE58621[C], 5[P], 32[O],
LYS125CG3865[P], 12[C], 21[O],
LYS125NZ66636[O], 5[P], 25[C],
LYS125CD4765[P], 14[C], 28[O],
PHE133CZ32616[O], 1[P], 15[C],
PHE133CG464[O],
PHE133CE224612[C], 1[P], 11[O],
PHE133CD1965[C], 4[O],
PHE133CD21264[C], 8[O],
PHE133CE125611[O], 14[C],
PRO136CD1062[C], 8[O],
PRO136CG26615[O], 11[C],
ARG161CZ761[C], 6[O],
ILE177CD1262[O],
GLU203OE2363[O],
PHE207CD1661[C], 5[O],
PHE207CD2565[O],
PHE207CZ19611[O], 8[C],
PHE207CE11669[O], 7[C],
PHE207CG565[O],
PHE207CE2966[O], 3[C],
Total = 75



Download csv file of statistical distribution of contacts