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: 6G2_A_2(5J5T) / Model_14(5J5T/A) = [6.4] Download1038.5214.27MHSRENVGYARPGGVDIDLPTEGSIPISRGCTASRRIVRSLKNPLACVMQLVPLDSGENSRPPHLLSRFNTASIPSEASVSEVRSELCSVAMEEQTEDSTSSFFDHRRLRHGGKVSSSMSRSRASRAGHEIRARMRRSFPSGSSREVEESFLSYSDDPSFYACDSDASSNSAETEGSSHSMSYTAISESVPSCSLTGLTENKYAATGWASRFRKPNVPPPHRESNSFGSIFGSGGIDPYNGASVNAHHQARDSAAADVAVGIAAEPRIAAAVPQRDPPVVVISPSTSSARVNTARTSHVAASTAAQSAPSASVARLCDGGLQFTADNSSAVQGTDRGSPLSNSIDQRPRVQSVKLLERVGRGTFGDVYRAQDLDSGNIIAVKEIIVPHDFTKDVEKQLTALESEIRVMRRLHHPHVVTYLGAVRENNSLRIFMEFVGGGTVGSKLESVGGLSEEKTRDYTAQLLEGLEYLHVSHILHRDLKGDNLFLTEDDQLKLGDFGQSKELADTLITRSVQGTPSFMSPEMIACSGYSFEADVWSVGCCVIQMLTGKPPFANLDNQMAVMFAIISSKIEDQIPACASEGAKDFIRMCTKTNIKDRWNASQLRRHPWLLGQGAPAAATASAAVTKAAGERREGAGHKPIAAHPPLKTKEPAHPNPHPGKPPRSILLDTAALAKAKGGDDMTKDPSSSSPGGYQYSLEDETGDHEAGGTTSSNLSSSKSETPSSKNAAATRHAGVPFSGSSPLSEGASMESRHRSPMALPEALPSGGRLDRTHESAHRATPGQGDSLVMVRQEGSGGSGARGRRKSPPEPAQRPQRPAHLHKERSPRHRALMTGSAAAVESSSKRRSNPSPVSRALNTPVHNRANLSTSPSKQRADLRPAGSSIYRVSGVANQPSRTTPNKTSSPGKKRQTTAVRATGHALKDDHKA
Complex: IE8_A_4(4BID) / Model_5(4BID/A) = [6.4] Download713.4721.50MHSRENVGYARPGGVDIDLPTEGSIPISRGCTASRRIVRSLKNPLACVMQLVPLDSGENSRPPHLLSRFNTASIPSEASVSEVRSELCSVAMEEQTEDSTSSFFDHRRLRHGGKVSSSMSRSRASRAGHEIRARMRRSFPSGSSREVEESFLSYSDDPSFYACDSDASSNSAETEGSSHSMSYTAISESVPSCSLTGLTENKYAATGWASRFRKPNVPPPHRESNSFGSIFGSGGIDPYNGASVNAHHQARDSAAADVAVGIAAEPRIAAAVPQRDPPVVVISPSTSSARVNTARTSHVAASTAAQSAPSASVARLCDGGLQFTADNSSAVQGTDRGSPLSNSIDQRPRVQSVKLLERVGRGTFGDVYRAQDLDSGNIIAVKEIIVPHDFTKDVEKQLTALESEIRVMRRLHHPHVVTYLGAVRENNSLRIFMEFVGGGTVGSKLESVGGLSEEKTRDYTAQLLEGLEYLHVSHILHRDLKGDNLFLTEDDQLKLGDFGQSKELADTLITRSVQGTPSFMSPEMIACSGYSFEADVWSVGCCVIQMLTGKPPFANLDNQMAVMFAIISSKIEDQIPACASEGAKDFIRMCTKTNIKDRWNASQLRRHPWLLGQGAPAAATASAAVTKAAGERREGAGHKPIAAHPPLKTKEPAHPNPHPGKPPRSILLDTAALAKAKGGDDMTKDPSSSSPGGYQYSLEDETGDHEAGGTTSSNLSSSKSETPSSKNAAATRHAGVPFSGSSPLSEGASMESRHRSPMALPEALPSGGRLDRTHESAHRATPGQGDSLVMVRQEGSGGSGARGRRKSPPEPAQRPQRPAHLHKERSPRHRALMTGSAAAVESSSKRRSNPSPVSRALNTPVHNRANLSTSPSKQRADLRPAGSSIYRVSGVANQPSRTTPNKTSSPGKKRQTTAVRATGHALKDDHKA
Consensus
[pKd Mean = 6.40]		-875
(s=162)		17
(s=3)		MHSRENVGYARPGGVDIDLPTEGSIPISRGCTASRRIVRSLKNPLACVMQLVPLDSGENSRPPHLLSRFNTASIPSEASVSEVRSELCSVAMEEQTEDSTSSFFDHRRLRHGGKVSSSMSRSRASRAGHEIRARMRRSFPSGSSREVEESFLSYSDDPSFYACDSDASSNSAETEGSSHSMSYTAISESVPSCSLTGLTENKYAATGWASRFRKPNVPPPHRESNSFGSIFGSGGIDPYNGASVNAHHQARDSAAADVAVGIAAEPRIAAAVPQRDPPVVVISPSTSSARVNTARTSHVAASTAAQSAPSASVARLCDGGLQFTADNSSAVQGTDRGSPLSNSIDQRPRVQSVKLLERVGRGTFGDVYRAQDLDSGNIIAVKEIIVPHDFTKDVEKQLTALESEIRVMRRLHHPHVVTYLGAVRENNSLRIFMEFVGGGTVGSKLESVGGLSEEKTRDYTAQLLEGLEYLHVSHILHRDLKGDNLFLTEDDQLKLGDFGQSKELADTLITRSVQGTPSFMSPEMIACSGYSFEADVWSVGCCVIQMLTGKPPFANLDNQMAVMFAIISSKIEDQIPACASEGAKDFIRMCTKTNIKDRWNASQLRRHPWLLGQGAPAAATASAAVTKAAGERREGAGHKPIAAHPPLKTKEPAHPNPHPGKPPRSILLDTAALAKAKGGDDMTKDPSSSSPGGYQYSLEDETGDHEAGGTTSSNLSSSKSETPSSKNAAATRHAGVPFSGSSPLSEGASMESRHRSPMALPEALPSGGRLDRTHESAHRATPGQGDSLVMVRQEGSGGSGARGRRKSPPEPAQRPQRPAHLHKERSPRHRALMTGSAAAVESSSKRRSNPSPVSRALNTPVHNRANLSTSPSKQRADLRPAGSSIYRVSGVANQPSRTTPNKTSSPGKKRQTTAVRATGHALKDDHKA



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]
GLU357OE2121[C],
GLU357CD222[C],
GLU357OE1222[C],
GLU357O521[S], 1[N], 3[C],
ARG358C721[S], 1[N], 5[C],
ARG358O921[S], 1[N], 7[C],
VAL359CG23921[S], 1[O], 32[C], 5[N],
VAL359CA3321[S], 1[O], 27[C], 4[N],
VAL359CB4321[S], 2[O], 6[N], 34[C],
VAL359O3621[S], 2[O], 4[N], 29[C],
VAL359CG14221[S], 2[O], 5[N], 34[C],
VAL359C3721[S], 2[O], 3[N], 31[C],
VAL359N2221[S], 1[N], 20[C],
GLY360CA3021[S], 2[O], 2[N], 25[C],
GLY360N3321[S], 2[O], 1[N], 29[C],
GLY360C3122[O], 4[N], 25[C],
GLY360O2421[O], 2[N], 21[C],
ARG361O2221[O], 3[N], 18[C],
ARG361CG222[C],
ARG361C2321[O], 3[N], 19[C],
ARG361CA2021[O], 3[N], 16[C],
ARG361N2522[O], 4[N], 19[C],
ARG361CB1021[O], 1[N], 8[C],
GLY362CA2822[O], 3[N], 23[C],
GLY362N2622[O], 3[N], 21[C],
GLY362O1521[O], 3[N], 11[C],
GLY362C2121[O], 3[N], 17[C],
THR363CB1021[O], 3[N], 6[C],
THR363OG11021[O], 3[N], 6[C],
THR363C821[O], 3[N], 4[C],
THR363CA1021[O], 3[N], 6[C],
THR363N1821[O], 3[N], 14[C],
THR363O121[N],
THR363CG2121[N],
PHE364C221[C], 1[N],
PHE364CG221[C], 1[N],
PHE364N721[O], 3[C], 3[N],
PHE364CB221[C], 1[N],
PHE364CA221[C], 1[N],
PHE364CD1221[C], 1[N],
PHE364CD2121[N],
GLY365O2021[O], 3[N], 16[C],
GLY365CA221[C], 1[N],
GLY365N422[C], 2[N],
GLY365C721[O], 4[C], 2[N],
ASP366N221[C], 1[N],
ASP366CA423[C], 1[N],
ASP366C2022[O], 16[C], 2[N],
ASP366O1421[O], 11[C], 2[N],
VAL367CG14921[S], 3[O], 7[N], 38[C],
VAL367CG24823[O], 8[N], 37[C],
VAL367C3322[O], 29[C], 2[N],
VAL367N3023[O], 2[N], 25[C],
VAL367CA4123[O], 4[N], 34[C],
VAL367O2721[S], 1[O], 1[N], 24[C],
VAL367CB5021[S], 3[O], 8[N], 38[C],
TYR368C1621[S], 2[O], 1[N], 12[C],
TYR368CA424[C],
TYR368O2421[S], 2[O], 17[C], 4[N],
TYR368N2222[O], 20[C],
ARG369NE421[S], 3[C],
ARG369CB1321[S], 2[N], 10[C],
ARG369CA1221[S], 1[N], 10[C],
ARG369N1121[S], 2[N], 8[C],
ARG369CZ421[S], 1[N], 2[C],
ARG369CD721[S], 6[C],
ARG369CG1021[S], 1[N], 8[C],
ILE378CG2422[C], 2[N],
ILE379CB221[O], 1[N],
ILE379CA1021[O], 5[C], 4[N],
ILE379O1321[O], 8[C], 4[N],
ILE379N222[N],
ILE379C1622[O], 10[C], 4[N],
ALA380CA3221[S], 2[O], 24[C], 5[N],
ALA380C3022[O], 23[C], 5[N],
ALA380N2622[O], 20[C], 4[N],
ALA380CB4021[S], 2[O], 31[C], 6[N],
ALA380O2922[O], 22[C], 5[N],
VAL381CA1822[O], 13[C], 3[N],
VAL381CG2321[O], 2[C],
VAL381C2022[O], 15[C], 3[N],
VAL381O1522[O], 12[C], 1[N],
VAL381CG1321[O], 2[C],
VAL381N2822[O], 21[C], 5[N],
VAL381CB521[O], 4[C],
LYS382CB2423[O], 18[C], 3[N],
LYS382NZ2422[O], 3[N], 19[C],
LYS382CG2523[O], 2[N], 20[C],
LYS382O721[O], 5[C], 1[N],
LYS382CA2222[O], 18[C], 2[N],
LYS382CE2622[O], 3[N], 21[C],
LYS382C1121[O], 8[C], 2[N],
LYS382CD2623[O], 20[C], 3[N],
LYS382N2422[O], 18[C], 4[N],
GLU383N721[O], 5[C], 1[N],
GLU383CA121[C],
ILE384CD1422[C], 2[N],
GLU404CG221[C], 1[N],
GLU404OE1322[C], 1[N],
GLU404OE2621[N], 5[C],
GLU404CD423[C], 1[N],
ILE405CG1121[C],
MET408CE1721[O], 13[C], 3[N],
MET408CB222[C],
MET408SD1121[O], 8[C], 2[N],
MET408CG421[N], 3[C],
VAL417CB3022[O], 22[C], 6[N],
VAL417CG13322[O], 25[C], 6[N],
VAL417CA1121[O], 7[C], 3[N],
VAL417N321[C], 2[N],
VAL417O321[C], 2[N],
VAL417CG23421[O], 6[N], 27[C],
VAL417C523[C], 2[N],
THR418C621[O], 3[C], 2[N],
THR418N422[C], 2[N],
THR418O1021[O], 7[C], 2[N],
THR418CA221[C], 1[N],
TYR419CD1321[O], 2[C],
TYR419CB321[O], 2[C],
TYR419N421[O], 3[C],
TYR419CA421[O], 3[C],
TYR419CE1321[O], 2[C],
TYR419CG321[O], 2[C],
TYR419C221[O], 1[C],
LEU420N221[O], 1[C],
LEU420CG121[O],
GLY421O321[O], 2[C],
GLY421N121[C],
GLY421C121[C],
ARG430C321[O], 2[C],
ARG430CA221[O], 1[C],
ARG430O221[O], 1[C],
ILE431CA621[O], 5[C],
ILE431O1521[O], 10[C], 4[N],
ILE431CG21021[O], 7[C], 2[N],
ILE431CD1721[O], 5[C], 1[N],
ILE431CG1521[O], 4[C],
ILE431CB821[O], 6[C], 1[N],
ILE431N521[O], 4[C],
ILE431C821[O], 6[C], 1[N],
PHE432CG321[O], 2[C],
PHE432C921[O], 6[C], 2[N],
PHE432O721[O], 5[C], 1[N],
PHE432CD1221[O], 1[C],
PHE432CE2121[O],
PHE432CB421[O], 3[C],
PHE432N521[O], 4[C],
PHE432CD2221[O], 1[C],
PHE432CA621[O], 5[C],
MET433CA2022[O], 14[C], 4[N],
MET433C2122[O], 15[C], 4[N],
MET433N1822[O], 13[C], 3[N],
MET433CB2722[O], 19[C], 6[N],
MET433SD3322[O], 25[C], 6[N],
MET433CG3122[O], 23[C], 6[N],
MET433O2022[O], 14[C], 4[N],
MET433CE3022[O], 22[C], 6[N],
GLU434C2122[O], 15[C], 4[N],
GLU434CG1321[O], 8[C], 4[N],
GLU434OE1622[C], 4[N],
GLU434CB723[C], 4[N],
GLU434CD723[C], 4[N],
GLU434N1922[O], 13[C], 4[N],
GLU434O3022[O], 24[C], 4[N],
GLU434OE2321[C], 2[N],
GLU434CA1522[O], 9[C], 4[N],
PHE435N1922[O], 13[C], 4[N],
PHE435CE22421[S], 17[C], 6[N],
PHE435CZ2721[S], 20[C], 6[N],
PHE435O1721[S], 12[C], 4[N],
PHE435CG2421[S], 1[O], 17[C], 5[N],
PHE435CD22121[S], 16[C], 4[N],
PHE435C2021[S], 1[O], 14[C], 4[N],
PHE435CE13221[S], 1[O], 24[C], 6[N],
PHE435CB2021[S], 1[O], 14[C], 4[N],
PHE435CA2221[S], 2[O], 15[C], 4[N],
PHE435CD13121[S], 1[O], 24[C], 5[N],
VAL436N2421[S], 1[O], 17[C], 5[N],
VAL436C2521[S], 1[O], 17[C], 6[N],
VAL436O2821[S], 1[O], 20[C], 6[N],
VAL436CB2321[S], 1[O], 16[C], 5[N],
VAL436CG12121[S], 1[O], 14[C], 5[N],
VAL436CG22221[S], 1[O], 16[C], 4[N],
VAL436CA2421[S], 1[O], 17[C], 5[N],
GLY437N2121[S], 15[C], 5[N],
GLY437O1521[S], 3[N], 11[C],
GLY437C1821[S], 13[C], 4[N],
GLY437CA1821[S], 13[C], 4[N],
GLY438CA1521[S], 3[N], 11[C],
GLY438N1821[S], 13[C], 4[N],
GLY438O1721[S], 2[N], 14[C],
GLY438C1921[S], 14[C], 4[N],
GLY439O2421[S], 1[O], 18[C], 4[N],
GLY439C3121[S], 1[O], 25[C], 4[N],
GLY439CA3221[S], 1[O], 25[C], 5[N],
GLY439N2621[S], 20[C], 5[N],
THR440OG12021[S], 1[N], 18[C],
THR440CG23521[S], 2[O], 3[N], 29[C],
THR440CA2721[S], 1[O], 2[N], 23[C],
THR440C1421[S], 1[N], 12[C],
THR440N3221[S], 1[O], 4[N], 26[C],
THR440CB2821[S], 2[O], 2[N], 23[C],
THR440O1121[S], 2[N], 8[C],
VAL441N424[C],
SER443N521[N], 4[C],
SER443O421[N], 3[C],
SER443CA722[N], 5[C],
SER443CB1421[S], 2[N], 11[C],
SER443OG1721[S], 2[N], 14[C],
SER443C622[N], 4[C],
LYS444CB222[C],
LYS444CA321[N], 2[C],
LYS444N421[N], 3[C],
HIS477NE2121[N],
HIS477CE1121[N],
ASP479CB121[N],
ASP479OD2221[N], 1[C],
ASP479O221[N], 1[C],
ASP479CG121[N],
ASP479OD1121[N],
LYS481CE321[N], 2[C],
LYS481NZ221[N], 1[C],
LYS481CD221[N], 1[C],
LYS481O221[N], 1[C],
LYS481CG221[N], 1[C],
GLY482C521[N], 4[C],
GLY482O621[N], 5[C],
ASP483CG721[N], 6[C],
ASP483CB1221[O], 1[N], 10[C],
ASP483OD2821[N], 7[C],
ASP483OD1421[N], 3[C],
ASP483O3222[O], 3[N], 27[C],
ASP483CA1121[O], 1[N], 9[C],
ASP483N621[N], 5[C],
ASP483C1621[O], 1[N], 14[C],
ASN484O1922[O], 2[N], 15[C],
ASN484CB1421[O], 2[N], 11[C],
ASN484OD12322[O], 3[N], 18[C],
ASN484N1421[O], 1[N], 12[C],
ASN484ND21021[O], 2[N], 7[C],
ASN484CG1721[O], 2[N], 14[C],
ASN484C1522[O], 1[N], 12[C],
ASN484CA1922[O], 2[N], 15[C],
LEU485N721[O], 1[N], 5[C],
LEU485C525[C],
LEU485CA323[C],
LEU485O424[C],
PHE486C1028[C], 2[N],
PHE486CE14721[S], 2[O], 8[N], 36[C],
PHE486CA2421[O], 4[N], 19[C],
PHE486CE24921[S], 2[O], 8[N], 38[C],
PHE486CG4421[S], 2[O], 7[N], 34[C],
PHE486CD14521[S], 2[O], 8[N], 34[C],
PHE486CD24621[S], 2[O], 7[N], 36[C],
PHE486CZ4721[S], 2[O], 8[N], 36[C],
PHE486N1721[O], 2[N], 14[C],
PHE486CB3521[S], 1[O], 5[N], 28[C],
LEU487O1221[S], 2[N], 9[C],
LEU487C421[S], 1[N], 2[C],
LEU487N1021[S], 7[C], 2[N],
LEU487CA121[C],
THR488CG2121[N],
THR488CA221[N], 1[C],
LYS494CB623[C], 3[N],
LYS494CD121[N],
LYS494CG121[N],
LYS494O624[C], 2[N],
LEU495O1121[O], 7[C], 3[N],
LEU495C1221[O], 3[N], 8[C],
GLY496CA3522[O], 6[N], 27[C],
GLY496N2722[O], 5[N], 20[C],
GLY496C3022[O], 4[N], 24[C],
GLY496O2021[O], 3[N], 16[C],
ASP497C1921[O], 3[N], 15[C],
ASP497OD12421[O], 3[N], 20[C],
ASP497CB2822[O], 3[N], 23[C],
ASP497CG2622[O], 3[N], 21[C],
ASP497N3423[O], 5[N], 26[C],
ASP497CA2822[O], 3[N], 23[C],
ASP497OD22522[O], 3[N], 20[C],
ASP497O1521[O], 3[N], 11[C],
PHE498CA725[C], 2[N],
PHE498C523[C], 2[N],
PHE498CB422[C], 2[N],
PHE498N1821[O], 14[C], 3[N],
PHE498CD1423[C], 1[N],
GLY499N826[C], 2[N],
GLY499CA422[C], 2[N],
GLN500NE2121[N],
GLN500CD121[N],
GLN500CG221[N], 1[C],
GLN500OE1121[N],
GLN500CB121[N],
Total = 293



Download csv file of statistical distribution of contacts