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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: 2U4_A_2(4OON) / Model_1(4OON/A) = [4.4] Download2080.357.46MKKLSSLGFVRPIFLIIIIILVSLPMGFYGMYLYIAPTLPEMSSLKKAPLLKPLQVYTADNQLIAEYGGKLSIPVEYKQIPPNFIHAFLAAEDSSFFEHSGISFKGLGRALSESVTGSDVQTGGSTITMQVAKNYYLSPERTLKRKLTEIFLARKIEQNLSKEDILSLYVNKIFLGKNAYGIAAAAKIYYNKSINELSIAQMAMIAGLPKAPSKYNPVVNPERTLERRNWILGRMLQLGYISQAEYQKAVAEPINLNMPNRDLNNIHPYAGEMVRSELVKHFGEQAIDSGYKVYTTINAKRQAIAEKAVQDGLEAYDRRHGWRGAEAHDKPLSEFRAYANTYPAQVTKVNSSSFEALMQDGSTVTVQWSGMSWARPYRNANSVGAAPSRASQIVKVKDIVRLRPNEAKTAWSLVQVPKVQGQLIAINPNDGSIEAIVGGYNFYQSKFNRALQGWRQPGSTIKPFLYALALERGMTPYSMVNDSPITIGKWTPKNSDGRYLGMIPLRRALYLSRNTVSVRLLQTVGIERTRQLFMDFGLQEDQIPRNYTIALGTPQVLPIQMATGYATFANGGYRVQPHFIQRIEDAYGKVIYEAKPEYACIPCINAPETTDDAQVTTPDDQVVEVTNKELEQKEKATKQLNLKQTDKNNSQYRQAQRILKSSSAYDMANILRDVIEHGTGRAALKIGRSDLGGKTGTTNDAKDAWFAGFNGKLVTVTWVGFDQPTTLGRREYGGIAALPIWINFMGQALQGTPAAWVRLEKDAQAPISRDKQEVTTEVGDKKTYRAAPPLARPLYRPAPPQPKTTNNDFDDLPGEEIVIPSKTTPPAMKPSQGAAPKREKDELENLINQIE
Complex: PNM_A_3(3UDI) / Model_44(3UDI/A) = [3.7] Download1057.159.96MKKLSSLGFVRPIFLIIIIILVSLPMGFYGMYLYIAPTLPEMSSLKKAPLLKPLQVYTADNQLIAEYGGKLSIPVEYKQIPPNFIHAFLAAEDSSFFEHSGISFKGLGRALSESVTGSDVQTGGSTITMQVAKNYYLSPERTLKRKLTEIFLARKIEQNLSKEDILSLYVNKIFLGKNAYGIAAAAKIYYNKSINELSIAQMAMIAGLPKAPSKYNPVVNPERTLERRNWILGRMLQLGYISQAEYQKAVAEPINLNMPNRDLNNIHPYAGEMVRSELVKHFGEQAIDSGYKVYTTINAKRQAIAEKAVQDGLEAYDRRHGWRGAEAHDKPLSEFRAYANTYPAQVTKVNSSSFEALMQDGSTVTVQWSGMSWARPYRNANSVGAAPSRASQIVKVKDIVRLRPNEAKTAWSLVQVPKVQGQLIAINPNDGSIEAIVGGYNFYQSKFNRALQGWRQPGSTIKPFLYALALERGMTPYSMVNDSPITIGKWTPKNSDGRYLGMIPLRRALYLSRNTVSVRLLQTVGIERTRQLFMDFGLQEDQIPRNYTIALGTPQVLPIQMATGYATFANGGYRVQPHFIQRIEDAYGKVIYEAKPEYACIPCINAPETTDDAQVTTPDDQVVEVTNKELEQKEKATKQLNLKQTDKNNSQYRQAQRILKSSSAYDMANILRDVIEHGTGRAALKIGRSDLGGKTGTTNDAKDAWFAGFNGKLVTVTWVGFDQPTTLGRREYGGIAALPIWINFMGQALQGTPAAWVRLEKDAQAPISRDKQEVTTEVGDKKTYRAAPPLARPLYRPAPPQPKTTNNDFDDLPGEEIVIPSKTTPPAMKPSQGAAPKREKDELENLINQIE
Consensus
[pKd Mean = 4.05]		-1568
(s=511)		8
(s=1)		MKKLSSLGFVRPIFLIIIIILVSLPMGFYGMYLYIAPTLPEMSSLKKAPLLKPLQVYTADNQLIAEYGGKLSIPVEYKQIPPNFIHAFLAAEDSSFFEHSGISFKGLGRALSESVTGSDVQTGGSTITMQVAKNYYLSPERTLKRKLTEIFLARKIEQNLSKEDILSLYVNKIFLGKNAYGIAAAAKIYYNKSINELSIAQMAMIAGLPKAPSKYNPVVNPERTLERRNWILGRMLQLGYISQAEYQKAVAEPINLNMPNRDLNNIHPYAGEMVRSELVKHFGEQAIDSGYKVYTTINAKRQAIAEKAVQDGLEAYDRRHGWRGAEAHDKPLSEFRAYANTYPAQVTKVNSSSFEALMQDGSTVTVQWSGMSWARPYRNANSVGAAPSRASQIVKVKDIVRLRPNEAKTAWSLVQVPKVQGQLIAINPNDGSIEAIVGGYNFYQSKFNRALQGWRQPGSTIKPFLYALALERGMTPYSMVNDSPITIGKWTPKNSDGRYLGMIPLRRALYLSRNTVSVRLLQTVGIERTRQLFMDFGLQEDQIPRNYTIALGTPQVLPIQMATGYATFANGGYRVQPHFIQRIEDAYGKVIYEAKPEYACIPCINAPETTDDAQVTTPDDQVVEVTNKELEQKEKATKQLNLKQTDKNNSQYRQAQRILKSSSAYDMANILRDVIEHGTGRAALKIGRSDLGGKTGTTNDAKDAWFAGFNGKLVTVTWVGFDQPTTLGRREYGGIAALPIWINFMGQALQGTPAAWVRLEKDAQAPISRDKQEVTTEVGDKKTYRAAPPLARPLYRPAPPQPKTTNNDFDDLPGEEIVIPSKTTPPAMKPSQGAAPKREKDELENLINQIE



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]
GLN456CD623[C], 2[N], 1[S],
GLN456CA522[N], 1[S], 2[C],
GLN456NE2623[C], 1[S], 2[N],
GLN456OE1923[N], 1[S], 5[C],
GLN456N321[S], 1[N], 1[C],
GLN456CB623[C], 1[S], 2[N],
GLN456O822[O], 3[C], 1[S], 2[N],
GLN456CG623[C], 2[N], 1[S],
GLN456C623[C], 2[N], 1[S],
PRO457CG221[S], 1[C],
PRO457C1522[O], 8[C], 1[S], 4[N],
PRO457CD321[S], 2[C],
PRO457CA621[S], 3[C], 2[O],
PRO457N421[S], 1[N], 2[C],
PRO457O1723[N], 1[S], 4[O], 9[C],
PRO457CB221[O], 1[S],
GLY458O2321[S], 5[N], 13[C], 4[O],
GLY458C3328[O], 17[C], 1[S], 7[N],
GLY458CA32216[C], 8[O], 7[N], 1[S],
GLY458N1829[C], 3[O], 5[N], 1[S],
SER459CA3329[O], 18[C], 2[S], 4[N],
SER459N3926[N], 2[S], 10[O], 21[C],
SER459C25213[C], 8[O], 4[N],
SER459OG49212[O], 29[C], 2[S], 6[N],
SER459CB43224[C], 12[O], 5[N], 2[S],
SER459O1924[N], 9[C], 6[O],
THR460N21211[C], 6[O], 4[N],
THR460CB722[C], 5[O],
THR460CA1025[O], 4[C], 1[N],
THR460OG1422[C], 2[O],
THR460C422[O], 2[C],
THR460CG21126[O], 4[C], 1[N],
ILE461CD1221[C], 1[S],
ILE461CG1121[S],
ILE461N422[O], 2[C],
LYS462CG1123[O], 6[C], 2[N],
LYS462NZ2221[S], 4[N], 12[C], 5[O],
LYS462CD2028[C], 7[O], 4[N], 1[S],
LYS462N422[C], 2[O],
LYS462CA121[C],
LYS462CE2727[O], 15[C], 1[S], 4[N],
LYS462CB522[O], 3[C],
LYS493CA221[O], 1[C],
LYS493O826[C], 1[O], 1[N],
LYS493C524[C], 1[O],
ASN494CA921[O], 6[C], 1[N], 1[S],
ASN494CG221[O], 1[C],
ASN494CB421[O], 2[C], 1[S],
ASN494N521[O], 4[C],
ASN494O1121[O], 8[C], 1[N], 1[S],
ASN494ND2121[O],
ASN494OD1221[O], 1[C],
ASN494C1321[N], 1[S], 1[O], 10[C],
SER495CB2221[S], 2[N], 3[O], 16[C],
SER495OG2222[N], 1[S], 16[C], 3[O],
SER495C16213[C], 1[O], 1[S], 1[N],
SER495CA19215[C], 1[O], 1[S], 2[N],
SER495N1921[O], 15[C], 2[N], 1[S],
SER495O13210[C], 1[O], 1[S], 1[N],
ASP496CA621[S], 1[O], 4[C],
ASP496N1321[S], 1[O], 11[C],
ASP496OD1221[S], 1[O],
ASP496CB121[S],
ARG498CZ221[O], 1[C],
LEU509O821[N], 2[O], 5[C],
LEU509C121[O],
TYR510CG221[C], 1[O],
TYR510CD1422[O], 2[C],
TYR510N121[O],
TYR510CE1422[O], 2[C],
TYR510CD2121[C],
TYR510CZ121[C],
TYR510CE2121[C],
TYR510O1725[O], 10[C], 1[N], 1[S],
TYR510CA322[C], 1[O],
TYR510C1021[S], 5[C], 4[O],
LEU511N821[S], 2[O], 5[C],
LEU511C2828[O], 16[C], 1[S], 3[N],
LEU511CD2321[O], 2[C],
LEU511CA1525[O], 8[C], 1[S], 1[N],
LEU511O3224[N], 1[S], 9[O], 18[C],
LEU511CG121[C],
LEU511CB823[O], 4[C], 1[S],
SER512CB39221[C], 12[O], 5[N], 1[S],
SER512N2923[N], 1[S], 9[O], 16[C],
SER512CA3324[N], 1[S], 11[O], 17[C],
SER512C3229[O], 18[C], 1[S], 4[N],
SER512OG35211[O], 18[C], 1[S], 5[N],
SER512O36210[O], 21[C], 1[S], 4[N],
ARG513CD523[O], 1[C], 1[S],
ARG513O423[C], 1[O],
ARG513CZ322[O], 1[S],
ARG513CA1227[C], 3[O], 1[N], 1[S],
ARG513N1923[N], 1[S], 5[O], 10[C],
ARG513CB121[O],
ARG513C1127[C], 2[O], 1[N], 1[S],
ARG513NE121[O],
ASN514N1523[O], 9[C], 1[S], 2[N],
ASN514ND23926[N], 2[S], 8[O], 23[C],
ASN514CA1322[O], 9[C], 2[N],
ASN514CB2225[O], 13[C], 1[S], 3[N],
ASN514O121[O],
ASN514OD13122[S], 6[N], 17[C], 6[O],
ASN514C321[C], 2[O],
ASN514CG3226[N], 2[S], 7[O], 17[C],
THR515N121[O],
SER517OG323[C],
THR548C221[C], 1[S],
THR548O521[S], 1[O], 3[C],
THR548CB121[S],
THR548CA121[S],
THR548CG2121[S],
ILE549O121[S],
ALA550O721[O], 5[C], 1[S],
ALA550C321[O], 1[C], 1[S],
LEU551CA2124[O], 11[C], 1[S], 5[N],
LEU551CB2025[N], 1[S], 3[O], 11[C],
LEU551N721[O], 5[C], 1[S],
LEU551CD11322[O], 6[C], 1[S], 4[N],
LEU551O2425[N], 1[S], 5[O], 13[C],
LEU551CG1921[S], 5[N], 11[C], 2[O],
LEU551CD21623[N], 1[S], 2[O], 10[C],
LEU551C2124[O], 11[C], 1[S], 5[N],
GLY552N1523[N], 1[S], 3[O], 8[C],
GLY552C1022[O], 5[C], 1[S], 2[N],
GLY552CA1321[S], 2[N], 7[C], 3[O],
GLY552O1427[C], 3[O], 3[N], 1[S],
THR553CB623[C], 1[S], 2[N],
THR553N623[C], 2[N], 1[S],
THR553OG1521[S], 2[N], 2[C],
THR553CA622[N], 1[S], 3[C],
THR553C422[C], 1[N], 1[S],
THR553CG2921[O], 5[C], 1[S], 2[N],
THR553O321[N], 1[S], 1[C],
PRO554CD221[S], 1[C],
PRO554CA121[S],
PRO554N321[C], 1[S], 1[N],
PRO554O121[S],
GLN555NE2121[N],
VAL674CG1222[O],
GLY678O121[O],
GLY678C121[O],
GLY678CA121[O],
THR679C824[C], 4[O],
THR679N723[C], 4[O],
THR679O924[O], 4[C], 1[N],
THR679OG11422[N], 6[O], 6[C],
THR679CA1221[N], 6[C], 5[O],
THR679CB1628[C], 6[O], 2[N],
THR679CG223212[C], 9[O], 2[N],
GLY680N121[O],
LYS694C622[C], 4[O],
LYS694CB321[C], 2[O],
LYS694CA624[O], 2[C],
LYS694CE20212[C], 6[O], 2[N],
LYS694O624[O], 2[C],
LYS694CD925[O], 4[C],
LYS694CG1026[O], 4[C],
LYS694NZ2929[O], 16[C], 1[S], 3[N],
THR695OG130210[O], 16[C], 1[S], 3[N],
THR695O30216[C], 9[O], 4[N], 1[S],
THR695CG21926[O], 10[C], 3[N],
THR695C2821[S], 4[N], 16[C], 7[O],
THR695CB2723[N], 10[O], 14[C],
THR695CA1922[N], 6[O], 11[C],
THR695N1622[N], 8[C], 6[O],
GLY696CA33221[C], 7[O], 4[N], 1[S],
GLY696N28216[C], 7[O], 4[N], 1[S],
GLY696C4129[O], 26[C], 1[S], 5[N],
GLY696O3021[S], 4[N], 18[C], 7[O],
THR697C5427[N], 2[S], 13[O], 32[C],
THR697OG15721[S], 6[N], 36[C], 14[O],
THR697CG258214[O], 36[C], 1[S], 7[N],
THR697O5728[N], 2[S], 14[O], 33[C],
THR697N52232[C], 11[O], 7[N], 2[S],
THR697CA5522[S], 8[N], 33[C], 12[O],
THR697CB61216[O], 37[C], 1[S], 7[N],
THR698OG126216[C], 4[O], 5[N], 1[S],
THR698C4228[O], 25[C], 2[S], 7[N],
THR698CA4327[N], 2[S], 9[O], 25[C],
THR698O45228[C], 8[O], 7[N], 2[S],
THR698N5122[S], 7[N], 30[C], 12[O],
THR698CG22624[O], 15[C], 1[S], 6[N],
THR698CB3326[N], 1[S], 6[O], 20[C],
ASN699OD12324[N], 4[O], 15[C],
ASN699CB2825[O], 17[C], 1[S], 5[N],
ASN699O2321[S], 3[N], 16[C], 3[O],
ASN699CG2624[N], 1[S], 4[O], 17[C],
ASN699ND22621[S], 4[N], 17[C], 4[O],
ASN699C2621[S], 5[N], 17[C], 3[O],
ASN699CA3025[O], 19[C], 1[S], 5[N],
ASN699N3728[O], 22[C], 1[S], 6[N],
ASP700OD1822[O], 6[C],
ASP700C1623[O], 11[C], 2[N],
ASP700OD2721[O], 6[C],
ASP700CA1823[N], 3[O], 12[C],
ASP700O1122[O], 9[C],
ASP700N2424[N], 17[C], 3[O],
ASP700CG1028[C], 2[O],
ASP700CB1222[O], 9[C], 1[N],
ALA701CB1121[O], 10[C],
ALA701O424[C],
ALA701N2223[O], 15[C], 4[N],
ALA701CA1623[O], 11[C], 2[N],
ALA701C1029[C], 1[O],
LYS702CD121[N],
LYS702CG121[N],
LYS702CA221[C], 1[N],
LYS702CE121[N],
LYS702CB321[C], 2[N],
LYS702N14210[C], 1[O], 3[N],
ASP703OD2422[N], 1[S], 1[C],
ASP703CG221[C], 1[N],
ASP703C221[O], 1[C],
ASP703O18210[C], 4[O], 4[N],
ASP703CB221[C], 1[N],
ASP703N221[C], 1[N],
ALA704CB121[O],
ALA704CA222[O],
ALA704C121[O],
TRP705N721[N], 2[C], 4[O],
TRP705CB524[O], 1[C],
TRP705CG121[O],
TRP705CD1322[O], 1[C],
TRP705NE1121[O],
TRP705O1021[N], 5[O], 4[C],
TRP705CA423[O], 1[C],
TRP705C725[O], 2[C],
PHE706CA121[O],
PHE706N121[O],
PHE706CD1521[C], 4[O],
PHE706CE1323[O],
THR726OG1222[C],
GLY728C121[C],
GLY728O323[C],
ARG729N121[C],
ARG729CB121[C],
ARG729O16213[C], 3[O],
ARG729CZ724[C], 3[O],
ARG729CD121[C],
ARG729CA323[C],
ARG729CG121[C],
ARG729C725[C], 2[O],
ARG729NE321[O], 2[C],
ARG730CA822[O], 6[C],
ARG730N422[O], 2[C],
ARG730O1023[O], 7[C],
ARG730CG422[O], 2[C],
ARG730C1023[O], 7[C],
ARG730CB522[O], 3[C],
GLU731N721[O], 6[C],
GLU731C1723[O], 13[C], 1[N],
GLU731O2321[N], 18[C], 4[O],
GLU731CA322[C], 1[O],
TYR732CG42211[O], 27[C], 1[S], 3[N],
TYR732CE232222[C], 7[O], 2[N], 1[S],
TYR732CE14824[N], 1[S], 12[O], 31[C],
TYR732O1123[O], 8[C],
TYR732CZ3728[O], 26[C], 1[S], 2[N],
TYR732CA3223[N], 1[S], 6[O], 22[C],
TYR732CB3923[N], 1[S], 11[O], 24[C],
TYR732C2125[O], 13[C], 3[N],
TYR732CD236224[C], 9[O], 2[N], 1[S],
TYR732CD15224[N], 1[S], 14[O], 33[C],
TYR732N22217[C], 3[O], 2[N],
GLY733C1321[N], 5[O], 7[C],
GLY733N2821[S], 3[N], 16[C], 8[O],
GLY733O624[O], 2[C],
GLY733CA1826[O], 9[C], 3[N],
GLY734CA1421[N], 8[C], 5[O],
GLY734N19211[C], 5[O], 3[N],
GLY734C522[C], 3[O],
GLY734O222[O],
ILE735CG1822[O], 5[C], 1[N],
ILE735CA121[O],
ILE735CD1823[O], 5[C],
ILE735N522[C], 3[O],
ILE735CB322[C], 1[O],
Total = 278



Download csv file of statistical distribution of contacts