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 :C2_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 C2_S1
Complex: MU2_A_3(2WWD) / Model_34(2WWD/A) = [3.6] Download1820.9110.06MSVTFFIGEERLKIKIGLASICLLGLATSHVAANETEVAKTSQDTTTASSSSEQNQSSNKTQTSAEVQTNAAAYWDGDYYVKDDGSKAQSEWIFDNYYKAWFYINSDGRYSQNEWHGNYYLKSGGYMAQNEWIYDSNYKSWFYLKSDGAYAHQEWQLIGNKWYYFKKWGYMAKSQWQGSYFLNGQGAMIQNEWLYDPAYSAYFYLKSDGTYANQEWQKVGGKWYYFKKWGYMARNEWQGNYYLTGSGAMATDEVIMDGARYIFAASGELKEKKDLNVGWVHRDGKRYFFNNREEQVGTEHAKKIIDISEHNGRINDWKKVIDENKVDGVIVRLGYSGKEDKELAHNIKELNRLGIPYGVYLYTYAENETDAENDAKQTIELIKKYNMNLSYPIYYDVENWEYVNKSKRAPSDTDTWVKIINKYMDTMKQAGYQNVYVYSYRSLLQTRLKHPDILKHVNWVAAYTNALEWENPYYSGEKGWQYTSSEYMKGIQGRVDVSVWY
Consensus
[pKd Mean = 3.60]		-1820
(s=0)		10
(s=0)		MSVTFFIGEERLKIKIGLASICLLGLATSHVAANETEVAKTSQDTTTASSSSEQNQSSNKTQTSAEVQTNAAAYWDGDYYVKDDGSKAQSEWIFDNYYKAWFYINSDGRYSQNEWHGNYYLKSGGYMAQNEWIYDSNYKSWFYLKSDGAYAHQEWQLIGNKWYYFKKWGYMAKSQWQGSYFLNGQGAMIQNEWLYDPAYSAYFYLKSDGTYANQEWQKVGGKWYYFKKWGYMARNEWQGNYYLTGSGAMATDEVIMDGARYIFAASGELKEKKDLNVGWVHRDGKRYFFNNREEQVGTEHAKKIIDISEHNGRINDWKKVIDENKVDGVIVRLGYSGKEDKELAHNIKELNRLGIPYGVYLYTYAENETDAENDAKQTIELIKKYNMNLSYPIYYDVENWEYVNKSKRAPSDTDTWVKIINKYMDTMKQAGYQNVYVYSYRSLLQTRLKHPDILKHVNWVAAYTNALEWENPYYSGEKGWQYTSSEYMKGIQGRVDVSVWY



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]
THR244OG1311[O], 2[C],
THR244CG2211[C], 1[O],
SER246OG212[C],
ASP252OD1211[C], 1[O],
ASP252OD2211[C], 1[O],
ASP252CG211[C], 1[O],
GLU253CG111[O],
VAL254CG2111[O],
GLU398OE1111[O],
GLU398OE2913[O], 6[C],
GLU398CD512[O], 3[C],
GLU398CG311[O], 2[C],
ASN399ND2412[O], 2[C],
ASN399CG412[C], 2[O],
ASN399OD1211[C], 1[O],
TYR438CE1111[C],
TYR438CE2111[C],
TYR438CZ212[C],
SER439OG111[O],
TYR440CD12118[O], 2[N], 11[C],
TYR440CD22017[O], 2[N], 11[C],
TYR440CZ1716[O], 10[C], 1[N],
TYR440CG2112[N], 11[C], 8[O],
TYR440CE12118[O], 2[N], 11[C],
TYR440CE21711[N], 10[C], 6[O],
ARG441CD914[O], 1[N], 4[C],
ARG441CG1015[O], 4[C], 1[N],
ARG441NE713[O], 1[N], 3[C],
ARG441CZ814[C], 1[N], 3[O],
SER442OG2419[O], 13[C], 2[N],
LEU443CD1413[C], 1[O],
LEU443CG311[C], 2[O],
LEU443CD2211[O], 1[C],
LEU444CD2111[O],
GLN445CD312[C], 1[O],
GLN445CG311[O], 2[C],
GLN445NE2911[N], 5[C], 3[O],
GLN445OE1311[O], 2[C],
VAL460CG1413[C], 1[O],
TYR463CE21614[O], 9[C], 3[N],
TYR463CE11011[N], 6[C], 3[O],
TYR463CD218111[C], 3[N], 4[O],
TYR463CG1915[O], 3[N], 11[C],
TYR463CZ1213[O], 1[N], 8[C],
TYR463CD11614[O], 3[N], 9[C],
THR464CG22513[N], 15[C], 7[O],
THR464OG11414[O], 2[N], 8[C],
ASN465CG111[O],
ASN465ND2412[C], 2[O],
LEU467CD1211[O], 1[C],
GLU468OE2111[O],
TRP480NE1211[C], 1[O],
GLN481OE1513[C], 2[O],
GLN481NE2111[C],
GLN481CD212[C],
GLN481CG111[C],
SER484OG611[N], 5[C],
Total = 57



Download csv file of statistical distribution of contacts