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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: TYR_B_6(2AMC) / Model_17(2AMC/B) = [3.2] Download9556.7931.25MKISENWLRTWVNPAIDSDTLSDQLTMLGLEVDELAPVAKPFTGVVVGEVLTVEQHPDADRLRVTTVNIGSGEPLQIVCGAPNVRAGMKAPVATIGAVLPGDFKIKKGKLRGVESQGMLCGASEINLEDKIDGLLELPADAPVGVNIREYLKLDDNVIDISITPNRGDCFSIRGIAREVAVINQLQMNEPEIKSVDATITDEKKVVINTDGAPRYLGRVIKNVNVKAGTPEWMEQALARSGIRTHSILVDVTNYVLMELGQPMHAFDLAKIEGTVHVRQAQPQEKLQLLNDQEVELQEDVMVIADDQKALAIAGIMGGLASSVTDDTTDIFLESAFFAPLAIAGRARRFGLHTDSSQRYERGVDFELPLIAMNRASQLIQELAGGEFGPITVAEKSDLLPKREAIELKQVQVDQLLGYKVAAEFITDALTRLGCEVTVQANGEWSVVPPSHRYDMAIYQDLIEEVARIDGYDNIQISLPSMDVQLAKYQDRFEIAQLRQTVVTLGYQEAISFSFADAKLEKQLNPQVSPLMLANPISSDLAAMRSTLLSSLIPCVQYNLNRQQSRVRFFELGLRFDYQNANSIQDLKQIPTLALVAVGSREPESWHAKPQPMDFFDFKGEVEEILAAGRVKVEYVRSERPWLHPGQSAEILVDGQSIGYLGRLHPSLENELDLSTTWVAELDQAAVLQSYVSNFTELSRFPSVRRDIALLISDNINVRDIQQLIEKTGGELLDSTWLFDVYTGQGVEEGKRSLAFALLWQHPSRTLEDAEIKSGMDNIIQVLENTYQATLRAS
Complex: DAH_B_4(3TEH) / Model_19(3TEH/B) = [3.1] Download553.6527.92MKISENWLRTWVNPAIDSDTLSDQLTMLGLEVDELAPVAKPFTGVVVGEVLTVEQHPDADRLRVTTVNIGSGEPLQIVCGAPNVRAGMKAPVATIGAVLPGDFKIKKGKLRGVESQGMLCGASEINLEDKIDGLLELPADAPVGVNIREYLKLDDNVIDISITPNRGDCFSIRGIAREVAVINQLQMNEPEIKSVDATITDEKKVVINTDGAPRYLGRVIKNVNVKAGTPEWMEQALARSGIRTHSILVDVTNYVLMELGQPMHAFDLAKIEGTVHVRQAQPQEKLQLLNDQEVELQEDVMVIADDQKALAIAGIMGGLASSVTDDTTDIFLESAFFAPLAIAGRARRFGLHTDSSQRYERGVDFELPLIAMNRASQLIQELAGGEFGPITVAEKSDLLPKREAIELKQVQVDQLLGYKVAAEFITDALTRLGCEVTVQANGEWSVVPPSHRYDMAIYQDLIEEVARIDGYDNIQISLPSMDVQLAKYQDRFEIAQLRQTVVTLGYQEAISFSFADAKLEKQLNPQVSPLMLANPISSDLAAMRSTLLSSLIPCVQYNLNRQQSRVRFFELGLRFDYQNANSIQDLKQIPTLALVAVGSREPESWHAKPQPMDFFDFKGEVEEILAAGRVKVEYVRSERPWLHPGQSAEILVDGQSIGYLGRLHPSLENELDLSTTWVAELDQAAVLQSYVSNFTELSRFPSVRRDIALLISDNINVRDIQQLIEKTGGELLDSTWLFDVYTGQGVEEGKRSLAFALLWQHPSRTLEDAEIKSGMDNIIQVLENTYQATLRAS
Consensus
[pKd Mean = 3.15]		-5055
(s=4501)		29
(s=1)		MKISENWLRTWVNPAIDSDTLSDQLTMLGLEVDELAPVAKPFTGVVVGEVLTVEQHPDADRLRVTTVNIGSGEPLQIVCGAPNVRAGMKAPVATIGAVLPGDFKIKKGKLRGVESQGMLCGASEINLEDKIDGLLELPADAPVGVNIREYLKLDDNVIDISITPNRGDCFSIRGIAREVAVINQLQMNEPEIKSVDATITDEKKVVINTDGAPRYLGRVIKNVNVKAGTPEWMEQALARSGIRTHSILVDVTNYVLMELGQPMHAFDLAKIEGTVHVRQAQPQEKLQLLNDQEVELQEDVMVIADDQKALAIAGIMGGLASSVTDDTTDIFLESAFFAPLAIAGRARRFGLHTDSSQRYERGVDFELPLIAMNRASQLIQELAGGEFGPITVAEKSDLLPKREAIELKQVQVDQLLGYKVAAEFITDALTRLGCEVTVQANGEWSVVPPSHRYDMAIYQDLIEEVARIDGYDNIQISLPSMDVQLAKYQDRFEIAQLRQTVVTLGYQEAISFSFADAKLEKQLNPQVSPLMLANPISSDLAAMRSTLLSSLIPCVQYNLNRQQSRVRFFELGLRFDYQNANSIQDLKQIPTLALVAVGSREPESWHAKPQPMDFFDFKGEVEEILAAGRVKVEYVRSERPWLHPGQSAEILVDGQSIGYLGRLHPSLENELDLSTTWVAELDQAAVLQSYVSNFTELSRFPSVRRDIALLISDNINVRDIQQLIEKTGGELLDSTWLFDVYTGQGVEEGKRSLAFALLWQHPSRTLEDAEIKSGMDNIIQVLENTYQATLRAS



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]
TYR215CE1222[O],
TYR215CD1121[O],
ILE242CG2121[O],
ILE242CD1121[O],
HIS245CD2121[O],
HIS245CG121[O],
VAL249CG2823[C], 1[N], 4[O],
VAL249CG11124[O], 6[C], 1[N],
THR252CG21121[N], 7[C], 3[O],
THR252OG11924[O], 2[N], 13[C],
ASN253ND21224[O], 6[C], 2[N],
ASN253CG1624[O], 10[C], 2[N],
ASN253OD11924[O], 13[C], 2[N],
LEU256CD22022[O], 2[N], 16[C],
LEU256CG10210[C],
LEU256CD114213[C], 1[O],
GLN261OE1625[C], 1[O],
GLN261CD121[C],
PRO262CG1521[O], 14[C],
PRO262CD1121[O], 10[C],
MET263SD222[C],
MET263CG1622[O], 1[N], 13[C],
HIS264CE12622[N], 18[C], 6[O],
HIS264CD22626[O], 18[C], 2[N],
HIS264ND12622[N], 18[C], 6[O],
HIS264NE22622[N], 18[C], 6[O],
HIS264CG2626[O], 2[N], 18[C],
PHE266CZ1921[N], 15[C], 3[O],
PHE266CE11022[O], 7[C], 1[N],
PHE266CD1522[C], 1[N], 2[O],
PHE266CG421[O], 2[C], 1[N],
PHE266CE214210[C], 1[N], 3[O],
PHE266CD2921[N], 6[C], 2[O],
LEU288CD2121[N],
LEU289CD21124[O], 5[C], 2[N],
LEU289CD11922[N], 13[C], 4[O],
LEU289CG1422[N], 8[C], 4[O],
ASN290OD1221[O], 1[N],
ASN290CG121[N],
ASN290ND2121[N],
ILE303CD1725[C], 2[O],
ILE303CG2322[O], 1[C],
ILE303CG1826[C], 2[O],
ILE312CG2121[C],
ILE315CG11122[O], 9[C],
ILE315CD1121[C],
ILE315CG21029[C], 1[N],
MET316CE1221[N], 8[C], 3[O],
MET316CG20213[C], 2[N], 5[O],
MET316SD1228[C], 1[N], 3[O],
SER322OG824[O], 1[N], 3[C],
LEU332CD2222[C],
GLU333CG14212[C], 2[O],
GLU333OE21923[O], 15[C], 1[N],
GLU333CD1821[N], 15[C], 2[O],
GLU333OE11922[O], 1[N], 16[C],
PHE337CE214212[C], 2[O],
PHE337CG826[C], 2[O],
PHE337CE1725[C], 2[O],
PHE337CD212210[C], 2[O],
PHE337CZ1122[O], 9[C],
PHE337CD1522[O], 3[C],
ILE342CG2121[C],
ILE342CD1321[O], 2[C],
THR353CG21321[N], 11[C], 1[O],
THR353OG121218[C], 1[N], 2[O],
ASP354OD2221[O], 1[C],
ASP354CG121[C],
SER355OG2525[O], 2[N], 18[C],
SER356OG121[C],
TYR359CE214212[C], 2[O],
TYR359CD115213[C], 2[O],
TYR359CD21022[O], 8[C],
TYR359CE117215[C], 2[O],
TYR359CG12210[C], 2[O],
TYR359CZ16214[C], 2[O],
Total = 76



Download csv file of statistical distribution of contacts