Binding Site Information :
Doc...
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 :C7_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 C7_S1
Complex: MAN_A_3(4QQQ) / Model_2(4QQQ/A) = [3.3] Download324.8636.20MANKAVNDFILAMNYDKKKLLTHQGESIENRFIKEGNQLPDEFVVIERKKRSLSTNTSDISVTATNDSRLYPGALLVVDETLLENNPTLLAVDRAPMTYSIDLPGLASSDSFLQVEDPSNSSVRGAVNDLLAKWHQDYGQVNNVPARMQYEKITAHSMEQLKVKFGSDFEKTGNSLDIDFNSVHSGEKQIQIVNFKQIYYTVSVDAVKNPGDVFQDTVTVEDLKQRGISAERPLVYISSVAYGRQVYLKLETTSKSDEVEAAFEALIKGVKVAPQTEWKQILDNTEVKAVILGGDPSSGARVVTGKVDMVEDLIQEGSRFTADHPGLPISYTTSFLRDNVVATFQNSTDYVETKVTAYRNGDLLLDHSGAYVAQYYITWDELSYDHQGKEVLTPKAWDRNGQDLTAHFTTSIPLKGNVRNLSVKIRECTGLAWEWWRTVYEKTDLPLVRKRTISIWGTTLYPQVEDKVEND
Consensus
[pKd Mean = 3.30]		-324
(s=0)		36
(s=0)		MANKAVNDFILAMNYDKKKLLTHQGESIENRFIKEGNQLPDEFVVIERKKRSLSTNTSDISVTATNDSRLYPGALLVVDETLLENNPTLLAVDRAPMTYSIDLPGLASSDSFLQVEDPSNSSVRGAVNDLLAKWHQDYGQVNNVPARMQYEKITAHSMEQLKVKFGSDFEKTGNSLDIDFNSVHSGEKQIQIVNFKQIYYTVSVDAVKNPGDVFQDTVTVEDLKQRGISAERPLVYISSVAYGRQVYLKLETTSKSDEVEAAFEALIKGVKVAPQTEWKQILDNTEVKAVILGGDPSSGARVVTGKVDMVEDLIQEGSRFTADHPGLPISYTTSFLRDNVVATFQNSTDYVETKVTAYRNGDLLLDHSGAYVAQYYITWDELSYDHQGKEVLTPKAWDRNGQDLTAHFTTSIPLKGNVRNLSVKIRECTGLAWEWWRTVYEKTDLPLVRKRTISIWGTTLYPQVEDKVEND



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]
VAL372CG11216[O], 6[C],
VAL372CG21116[C], 5[O],
GLN374CG815[C], 3[O],
GLN374OE1814[O], 4[C],
GLN374NE21216[C], 6[O],
GLN374CD1016[C], 4[O],
ASP403CG1216[O], 6[C],
ASP403OD11216[C], 6[O],
ASP403OD21216[C], 6[O],
THR405CG2311[C], 2[O],
ARG426NE211[O], 1[C],
ARG426CZ512[C], 3[O],
CYS428SG1216[O], 6[C],
TRP435CG814[C], 4[O],
TRP435CZ3815[C], 3[O],
TRP435CD11216[O], 6[C],
TRP435CE21216[O], 6[C],
TRP435CZ21216[C], 6[O],
TRP435CD21115[O], 6[C],
TRP435NE11216[C], 6[O],
TRP435CE3714[C], 3[O],
TRP436CE31116[C], 5[O],
TRP436CD21115[O], 6[C],
TRP436NE11116[C], 5[O],
TRP436CD1713[O], 4[C],
TRP436CZ31116[C], 5[O],
TRP436CE21216[O], 6[C],
TRP436CZ21216[O], 6[C],
TRP436CG613[C], 3[O],
Total = 29



Download csv file of statistical distribution of contacts