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 :C6_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 C6_S1
Complex: PRX_B_4(2P20) / Model_27(2P20/B) = [7.6] Download791.7218.03MNEIYPVPEEFKKTARTVEADYFKRYQHSIENPDEFWAEQAKIVDWIKPFTQVKNTSFDKDNFKIEWFADGELNVSANCLDRHLKEHPHKPAIIWEGDHPSRHKIVSYKELHDEVCRFANVLKKYGIGKGDRVVLYMPMVTEAAIAMLACARIGAVHCVVFGGFSPDSLASRIEDSQAKLVITADSSLRAGKLLPLKENVDLALALPGTECVENVIVVYRNANPIEMKLGRDLWYHLIIMEVDANCPPEPMKAEDPLFILYTSGSTGKPKGVLHTTGGYLVYVASTFKEVFDLKQDDVYWCTADVGWITGHSYLIYGPLANGTTTLMFEGVPQYPTWARLGHVVDKHKVSILYTAPTAIRAMMREGDSYVRESNRSSLRLLGSVGEPINPEAWNWYYNVVGEGRCPIVDTWWQTETGGILIAPLPGATALKPGSATRPLFGIQPAIVDGEGNELEGAAEGNLVIKDSWPGQMRTIWGDPDRFIEAYFSTFKNTYFTGDGARRDEDGYCWITGRVDDVLNVSGHRLGTAEIESALVSHEAVAEAAVVGMPHDIKGQGICTFVTLQAGVPESEELRKELISWVRKVLGPVASPDALHWAPALPKTRSGKIMRRILRKIAANELDSLGDTSTLAEPAVVDQLIATVYPDRQK
Complex: COA_A_7(1PG4) / Model_60(1PG4/A) = [6.9] Download2291.3629.27MNEIYPVPEEFKKTARTVEADYFKRYQHSIENPDEFWAEQAKIVDWIKPFTQVKNTSFDKDNFKIEWFADGELNVSANCLDRHLKEHPHKPAIIWEGDHPSRHKIVSYKELHDEVCRFANVLKKYGIGKGDRVVLYMPMVTEAAIAMLACARIGAVHCVVFGGFSPDSLASRIEDSQAKLVITADSSLRAGKLLPLKENVDLALALPGTECVENVIVVYRNANPIEMKLGRDLWYHLIIMEVDANCPPEPMKAEDPLFILYTSGSTGKPKGVLHTTGGYLVYVASTFKEVFDLKQDDVYWCTADVGWITGHSYLIYGPLANGTTTLMFEGVPQYPTWARLGHVVDKHKVSILYTAPTAIRAMMREGDSYVRESNRSSLRLLGSVGEPINPEAWNWYYNVVGEGRCPIVDTWWQTETGGILIAPLPGATALKPGSATRPLFGIQPAIVDGEGNELEGAAEGNLVIKDSWPGQMRTIWGDPDRFIEAYFSTFKNTYFTGDGARRDEDGYCWITGRVDDVLNVSGHRLGTAEIESALVSHEAVAEAAVVGMPHDIKGQGICTFVTLQAGVPESEELRKELISWVRKVLGPVASPDALHWAPALPKTRSGKIMRRILRKIAANELDSLGDTSTLAEPAVVDQLIATVYPDRQK
Consensus
[pKd Mean = 7.25]		-1541
(s=749)		23
(s=5)		MNEIYPVPEEFKKTARTVEADYFKRYQHSIENPDEFWAEQAKIVDWIKPFTQVKNTSFDKDNFKIEWFADGELNVSANCLDRHLKEHPHKPAIIWEGDHPSRHKIVSYKELHDEVCRFANVLKKYGIGKGDRVVLYMPMVTEAAIAMLACARIGAVHCVVFGGFSPDSLASRIEDSQAKLVITADSSLRAGKLLPLKENVDLALALPGTECVENVIVVYRNANPIEMKLGRDLWYHLIIMEVDANCPPEPMKAEDPLFILYTSGSTGKPKGVLHTTGGYLVYVASTFKEVFDLKQDDVYWCTADVGWITGHSYLIYGPLANGTTTLMFEGVPQYPTWARLGHVVDKHKVSILYTAPTAIRAMMREGDSYVRESNRSSLRLLGSVGEPINPEAWNWYYNVVGEGRCPIVDTWWQTETGGILIAPLPGATALKPGSATRPLFGIQPAIVDGEGNELEGAAEGNLVIKDSWPGQMRTIWGDPDRFIEAYFSTFKNTYFTGDGARRDEDGYCWITGRVDDVLNVSGHRLGTAEIESALVSHEAVAEAAVVGMPHDIKGQGICTFVTLQAGVPESEELRKELISWVRKVLGPVASPDALHWAPALPKTRSGKIMRRILRKIAANELDSLGDTSTLAEPAVVDQLIATVYPDRQK



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]
PHE161CD2724[C], 3[N],
PHE161CZ1025[N], 5[C],
PHE161C121[N],
PHE161CE21025[N], 5[C],
PHE161CG321[C], 2[N],
PHE161CE1823[N], 5[C],
PHE161CD1522[C], 3[N],
GLY162N422[N], 2[C],
GLY162CA522[C], 3[N],
GLY162O724[C], 3[N],
GLY162C724[C], 3[N],
GLY163O322[C], 1[N],
GLY163C522[N], 3[C],
GLY163CA1125[N], 6[C],
GLY163N824[N], 4[C],
PHE164N121[C],
SER187OG321[N], 2[C],
SER187CB121[N],
ARG189CB322[N], 1[C],
ARG189NE1727[C], 4[O], 5[N], 1[P],
ARG189CG623[N], 3[C],
ARG189CD1322[O], 6[C], 5[N],
ARG189CZ2429[C], 8[O], 5[N], 2[P],
LYS192CD121[O],
LYS192NZ121[O],
LEU194CG722[N], 4[C], 1[O],
LEU194CD21022[O], 5[C], 3[N],
LEU194CD11025[N], 4[C], 1[O],
LEU194CB321[C], 2[N],
THR262CG2321[P], 2[O],
THR262OG1121[O],
THR262CB121[O],
THR302O121[O],
THR302OG1121[O],
THR302C121[O],
THR302CB121[O],
ALA303C221[O], 1[S],
ALA303CB621[N], 1[S], 3[C], 1[O],
ALA303N121[O],
ALA303CA621[S], 1[N], 1[O], 3[C],
ASP304OD2221[C], 1[N],
ASP304CG121[N],
ASP304N221[S], 1[O],
ASP304OD1121[N],
ASP304CB121[N],
ASP304O121[S],
TRP307CE3121[S],
TRP307CB221[C], 1[S],
TRP307CE2121[S],
TRP307NE1521[O], 3[C], 1[S],
TRP307CG221[C], 1[S],
TRP307CA121[S],
TRP307CD1621[N], 1[S], 3[C], 1[O],
TRP307CD2121[S],
TRP307C121[S],
ILE308CA121[C],
ILE308CG2221[C], 1[O],
ILE308C121[C],
ILE308CB623[O], 2[C], 1[P],
ILE308N221[S], 1[C],
ILE308CG1523[O], 1[C], 1[P],
THR309OG1725[C], 1[O], 1[S],
THR309N524[C], 1[S],
THR309CB625[C], 1[S],
THR309CG2423[C], 1[S],
THR309CA322[C], 1[S],
GLY310N121[S],
VAL331CA121[C],
VAL331C121[C],
VAL331CG1623[C], 2[O], 1[P],
VAL331CG2121[C],
VAL331CB322[C], 1[O],
PRO332CB121[C],
PRO332N121[C],
PRO332CA121[C],
PRO332CG221[O], 1[C],
PRO332CD421[O], 3[C],
GLN333CD222[C],
GLN333OE1424[C],
GLN333N121[C],
GLN333NE2222[C],
THR354C221[O], 1[C],
THR354OG1121[O],
THR354O121[C],
ALA355C321[N], 2[C],
ALA355N521[N], 1[O], 3[C],
ALA355O121[C],
ALA355CB1022[N], 2[O], 6[C],
ALA355CA621[O], 4[C], 1[N],
PRO356N121[C],
PRO356CD121[C],
THR357OG1621[N], 1[O], 4[C],
THR357CA421[N], 3[C],
THR357O421[N], 3[C],
THR357C825[C], 2[O], 1[N],
THR357N221[C], 1[N],
THR357CB921[N], 6[C], 2[O],
THR357CG21122[O], 8[C], 1[N],
ALA358O121[C],
ALA358CA821[N], 6[C], 1[O],
ALA358N922[O], 6[C], 1[N],
ALA358C121[C],
ALA358CB821[N], 6[C], 1[O],
ALA361CA121[C],
ALA361CB424[C],
ALA361N121[C],
SER383C121[N],
SER383O221[N], 1[C],
VAL384C1328[C], 5[N],
VAL384N221[N], 1[C],
VAL384CA826[C], 2[N],
VAL384CG1523[C], 1[S], 1[N],
VAL384CG21028[C], 2[N],
VAL384O925[C], 1[O], 3[N],
VAL384CB622[N], 4[C],
GLY385C20213[C], 1[O], 6[N],
GLY385N1826[N], 11[C], 1[O],
GLY385CA2226[N], 1[S], 13[C], 2[O],
GLY385O2325[N], 15[C], 3[O],
GLU386OE2622[N], 4[C],
GLU386C1125[N], 6[C],
GLU386CB724[C], 3[N],
GLU386N1421[O], 8[C], 5[N],
GLU386CA1325[N], 1[O], 7[C],
GLU386O1025[C], 5[N],
PRO387O221[C], 1[N],
PRO387CA723[N], 4[C],
PRO387C422[N], 2[C],
PRO387CG422[N], 2[C],
PRO387CD1023[N], 6[C], 1[O],
PRO387N925[C], 4[N],
PRO387CB322[N], 1[C],
ILE388N221[C], 1[N],
ASP409CA121[N],
ASP409CG322[N], 1[C],
ASP409C221[N], 1[C],
ASP409OD1623[C], 3[N],
ASP409O221[C], 1[N],
ASP409CB121[N],
ASP409OD2422[C], 2[N],
THR410CB121[N],
THR410O925[C], 4[N],
THR410N221[N], 1[C],
THR410CA321[C], 2[N],
THR410C623[N], 3[C],
THR410OG1222[N],
TRP411CA1025[N], 5[C],
TRP411CE21126[C], 2[O], 3[N],
TRP411CB1025[N], 5[C],
TRP411N723[N], 4[C],
TRP411C825[C], 3[N],
TRP411CD11725[N], 9[C], 3[O],
TRP411O222[N],
TRP411CD2926[C], 3[N],
TRP411CZ2321[O], 2[C],
TRP411NE11825[N], 3[O], 10[C],
TRP411CG1328[C], 5[N],
TRP412NE1423[C], 1[N],
TRP412CD1423[C], 1[N],
TRP412C18210[C], 5[O], 2[N], 1[P],
TRP412CB221[N], 1[C],
TRP412CZ2423[C], 1[O],
TRP412O2025[O], 12[C], 1[P], 2[N],
TRP412CD2423[C], 1[O],
TRP412CZ3322[C], 1[O],
TRP412CA621[N], 5[C],
TRP412CE2421[O], 3[C],
TRP412N923[N], 6[C],
TRP412CE3322[C], 1[O],
TRP412CG421[N], 3[C],
GLN413O621[P], 2[O], 3[C],
GLN413CB1125[O], 5[C], 1[P],
GLN413NE2824[O], 4[C],
GLN413C924[C], 4[O], 1[P],
GLN413OE1221[O], 1[C],
GLN413N1321[P], 1[N], 4[O], 7[C],
GLN413CD622[O], 4[C],
GLN413CG1125[O], 5[C], 1[P],
GLN413CA1426[O], 7[C], 1[P],
THR414OG1821[P], 3[C], 4[O],
THR414CA621[P], 1[C], 4[O],
THR414CG2221[O], 1[P],
THR414CB521[P], 4[O],
THR414N921[P], 4[C], 4[O],
THR414C121[O],
GLU415N121[O],
GLU415OE2121[O],
GLU415CD121[O],
GLU415OE1321[P], 1[O], 1[C],
ILE421O121[N],
ALA435CB322[N], 1[C],
THR496OG1121[O],
THR496CA121[O],
THR496C121[O],
THR496O221[O], 1[C],
THR496CB121[O],
GLY497C121[O],
GLY497O121[O],
ASP498OD21223[O], 7[C], 2[N],
ASP498CB422[O], 2[C],
ASP498CA222[O],
ASP498N222[O],
ASP498OD11022[N], 3[O], 5[C],
ASP498CG923[O], 4[C], 2[N],
ILE510CA322[N], 1[C],
ILE510CB724[C], 3[N],
ILE510CG1523[C], 2[N],
ILE510N221[N], 1[C],
ILE510CG21026[C], 1[O], 3[N],
ILE510C322[N], 1[C],
ILE510CD1221[C], 1[N],
ILE510O321[C], 2[N],
THR511N121[C],
GLY512CA421[N], 1[O], 2[C],
GLY512C221[O], 1[C],
GLY512O121[O],
GLY512N321[C], 1[O], 1[N],
ARG513CG624[C], 2[O],
ARG513N221[C], 1[O],
ARG513CD823[O], 5[C],
ARG513CZ523[C], 2[O],
ARG513CB121[O],
ARG513NE522[O], 3[C],
ARG513CA121[O],
ASN519CG321[C], 2[O],
ASN519ND21122[N], 6[C], 3[O],
ASN519CB121[O],
VAL520CG1121[O],
VAL520O121[O],
SER521CB1327[C], 4[O], 1[N], 1[P],
SER521OG925[O], 2[C], 1[P], 1[N],
SER521N222[O],
SER521O1422[N], 5[O], 7[C],
SER521CA724[C], 2[O], 1[N],
SER521C822[N], 1[O], 5[C],
GLY522CA822[N], 5[C], 1[O],
GLY522N622[N], 3[C], 1[O],
GLY522C921[S], 2[N], 1[O], 5[C],
GLY522O1122[O], 6[C], 1[S], 2[N],
HIS523C121[O],
HIS523ND11021[N], 1[P], 5[C], 3[O],
HIS523CA221[N], 1[C],
HIS523CE11526[C], 5[O], 3[N], 1[P],
HIS523NE21325[C], 4[O], 3[N], 1[S],
HIS523CD2623[C], 1[S], 2[N],
HIS523N421[N], 3[C],
HIS523CB121[C],
HIS523CG522[N], 3[C],
ARG524O121[O],
ARG524CA322[O], 1[P],
ARG524NE621[P], 3[O], 2[C],
ARG524N322[O], 1[P],
ARG524CD921[P], 6[O], 2[C],
ARG524CZ724[O], 2[C], 1[P],
ARG524CG621[P], 2[C], 3[O],
ARG524C121[O],
ARG524CB825[O], 2[C], 1[P],
ILE552CG2121[C],
LYS553NZ121[O],
LYS553CD121[O],
ARG582CD321[P], 2[O],
ARG582CZ524[O], 1[P],
ARG582CG121[O],
ARG582NE524[O], 1[P],
PRO587O724[C], 3[O],
PRO587CG1628[C], 5[O], 2[N], 1[P],
PRO587C824[O], 4[C],
PRO587N523[O], 2[C],
PRO587CB1622[N], 1[P], 6[C], 7[O],
PRO587CD923[O], 4[C], 2[N],
PRO587CA821[P], 3[O], 4[C],
VAL588CG11322[N], 1[P], 6[C], 4[O],
VAL588CA623[O], 3[C],
VAL588CB321[O], 2[C],
VAL588N821[N], 3[O], 4[C],
Total = 275



Download csv file of statistical distribution of contacts