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 :C3_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 C3_S1
Complex: LMT_B_16(5KN7) / Model_1(5KN7/B) = [4.1] Download2305.8645.93MTRPDSKSMNYQLLKTFSRQPIQFGRFLARLLAGLVNTLKITRTSKSIELNLRIALPYLTPQQRIAITEKAVRNELTSYFEFLSIWGSSNSKNISRIHRIEGEHFFHEALAAKKGVVLIVPHFGTWEVMNAWCAQFTSMTILYKPVKNADADRFVREARSREQANLVPTDESGVRQIFKALKQGETTVILPDHTPNVGGDMVNYFGVPLASSNLSAKLIQKTKAKALFLYAIRNENDGFTIHIEPMDEKIYEGTADDGTYVIHQAIEQLIYQYPEHYHWSYKRFKANPALDNIYNIDPTEALKIVDRLKAEALKTSTQPEPIQTSVM
Consensus
[pKd Mean = 4.10]
-2305
(s=0)
45
(s=0)
MTRPDSKSMNYQLLKTFSRQPIQFGRFLARLLAGLVNTLKITRTSKSIELNLRIALPYLTPQQRIAITEKAVRNELTSYFEFLSIWGSSNSKNISRIHRIEGEHFFHEALAAKKGVVLIVPHFGTWEVMNAWCAQFTSMTILYKPVKNADADRFVREARSREQANLVPTDESGVRQIFKALKQGETTVILPDHTPNVGGDMVNYFGVPLASSNLSAKLIQKTKAKALFLYAIRNENDGFTIHIEPMDEKIYEGTADDGTYVIHQAIEQLIYQYPEHYHWSYKRFKANPALDNIYNIDPTEALKIVDRLKAEALKTSTQPEPIQTSVM



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]
PHE27CE1212[C],
PHE27CD1212[C],
PHE27CZ111[C],
LEU28CD1313[C],
LEU31CD2212[C],
LEU31CG313[C],
LEU31CD1414[C],
LEU35CD1313[C],
GLU75CG313[C],
GLU75CD212[C],
GLU75OE2812[O], 6[C],
LEU76CD1717[C],
LEU76CD2212[C],
LEU76CG313[C],
TYR79CD21513[O], 12[C],
TYR79CD12115[O], 16[C],
TYR79CG16113[C], 3[O],
TYR79CE21613[O], 13[C],
TYR79CZ19114[C], 5[O],
TYR79CE12417[O], 17[C],
PHE80CZ717[C],
PHE80CD1717[C],
PHE80CD2717[C],
PHE80CE1717[C],
PHE80CE2717[C],
PHE80CG616[C],
PHE82CE21318[C], 5[O],
PHE82CG614[C], 2[O],
PHE82CD1211[C], 1[O],
PHE82CZ512[O], 3[C],
PHE82CD216110[C], 6[O],
PHE82CE1211[O], 1[C],
LEU83CG818[C],
LEU83CD2818[C],
LEU83CD1818[C],
TRP86CZ31815[O], 13[C],
TRP86CD2714[C], 3[O],
TRP86CE21215[O], 7[C],
TRP86NE1815[C], 3[O],
TRP86CD1412[C], 2[O],
TRP86CG412[O], 2[C],
TRP86CE31116[C], 5[O],
TRP86CZ216110[C], 6[O],
HIS122CE1513[C], 2[O],
HIS122NE21716[O], 11[C],
HIS122CG412[C], 2[O],
HIS122CD21318[C], 5[O],
HIS122ND1212[O],
TRP126CE21216[C], 6[O],
TRP126CZ21817[O], 11[C],
TRP126CD1713[O], 4[C],
TRP126CG412[C], 2[O],
TRP126CZ3513[O], 2[C],
TRP126NE11318[C], 5[O],
TRP126CD2512[O], 3[C],
TRP126CE3211[O], 1[C],
GLU127OE11116[C], 5[O],
GLU127CD1415[O], 9[C],
GLU127CG1015[O], 5[C],
GLU127OE21617[O], 9[C],
ASN130CG211[O], 1[C],
ASN130ND2211[O], 1[C],
ASN130OD1211[C], 1[O],
ILE141CG1111[O],
ILE141CD1211[C], 1[O],
ILE141CG2713[O], 4[C],
LEU142CG111[O],
LEU142CD1111[O],
TYR143CD11417[C], 7[O],
TYR143CE11517[O], 8[C],
TYR143CE21116[C], 5[O],
TYR143CG1216[C], 6[O],
TYR143CZ1417[O], 7[C],
TYR143CD21014[O], 6[C],
LYS144NZ915[O], 4[C],
LYS144CG1015[O], 5[C],
LYS144CE412[C], 2[O],
LYS144CD914[O], 5[C],
PRO145CD412[O], 2[C],
PRO145CG211[O], 1[C],
VAL146CG117110[C], 7[O],
VAL146CG222110[O], 12[C],
ASP152OD2111[O],
ASP152CG311[O], 2[C],
ASP152OD1412[C], 2[O],
VAL155CG21717[O], 10[C],
VAL155CG11619[C], 7[O],
ARG159CD915[C], 4[O],
ARG159CG715[C], 2[O],
ARG159NE1115[O], 6[C],
ARG159CZ1116[C], 5[O],
GLU162OE1211[O], 1[C],
LEU166CD1111[O],
LEU166CG111[O],
LEU166CD2412[O], 2[C],
THR169CG2513[C], 2[O],
THR169OG1111[O],
VAL188CG1111[O],
LEU190CD21116[O], 5[C],
LEU190CD1411[O], 3[C],
LEU190CG915[C], 4[O],
HIS193ND1815[C], 3[O],
HIS193NE2311[O], 2[C],
HIS193CE11217[C], 5[O],
HIS278CG111[O],
HIS278ND1413[C], 1[O],
HIS278CE1211[O], 1[C],
HIS278NE2111[O],
SER280OG514[C], 1[O],
TYR281CE1111[O],
TYR281CD1211[O], 1[C],
Total = 111



Download csv file of statistical distribution of contacts