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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ADP_A_3(2F9G) / Model_11(2F9G/A) = [5.3] Download1354.8314.48MMFNEAAVPFIQTARDNGLLFGGSNVPAMIDYTSEHRKSYHVRGSVFEVAPHFEVLNGIGYGAYGVVCAAVDLRLVASSVYYNEAMRIIEEGGRIVTRQRRGHDAPVYFRTRAVLDEAGRGGPVRVPHLYSEPFKRRVLACGGVSPFVAIKKVTKVFDDLVDGRRILREIKLLRYLQGHPNIVRLMEVGRPHVPTGASSSAAFDDIYLVTDLMDTDLAALLKSSQEIEMDQFRFIAYQLMKVLVYVHSSGVIHRDLKPGNILLNGNCDMKLCDFGLSRGGVPAWPHESTLTAVATAAESSAKELEDWGLFCWSSSAVRGASSAPHAAKQPPLYSLTDYVVTRYYRAPELLIMGRYNHAIDMWSAGCILAEMLLRRPLFTGANYLSQLALILETPGLRGVPQTPEQVAALFEGGEEGKHFINDILFRKTARGRDSLTLSNQVHSQVLFHSTLFGFNVDIPISLGILIAKLLSFDPRKRPTAVEALRDPFFRPLYDSRDEILRCPASDPSVEREEIDDIAAYQKAHPCVVVDESPVFTWEFDHRITSAQALRSLFEEECQISRDVQQQIERQQRPR
Complex: 5ID_A_7(2ZOQ) / Model_12(2ZOQ/A) = [4.9] Download1168.6627.75MMFNEAAVPFIQTARDNGLLFGGSNVPAMIDYTSEHRKSYHVRGSVFEVAPHFEVLNGIGYGAYGVVCAAVDLRLVASSVYYNEAMRIIEEGGRIVTRQRRGHDAPVYFRTRAVLDEAGRGGPVRVPHLYSEPFKRRVLACGGVSPFVAIKKVTKVFDDLVDGRRILREIKLLRYLQGHPNIVRLMEVGRPHVPTGASSSAAFDDIYLVTDLMDTDLAALLKSSQEIEMDQFRFIAYQLMKVLVYVHSSGVIHRDLKPGNILLNGNCDMKLCDFGLSRGGVPAWPHESTLTAVATAAESSAKELEDWGLFCWSSSAVRGASSAPHAAKQPPLYSLTDYVVTRYYRAPELLIMGRYNHAIDMWSAGCILAEMLLRRPLFTGANYLSQLALILETPGLRGVPQTPEQVAALFEGGEEGKHFINDILFRKTARGRDSLTLSNQVHSQVLFHSTLFGFNVDIPISLGILIAKLLSFDPRKRPTAVEALRDPFFRPLYDSRDEILRCPASDPSVEREEIDDIAAYQKAHPCVVVDESPVFTWEFDHRITSAQALRSLFEEECQISRDVQQQIERQQRPR
Complex: TT4_A_2(4XNE) / Model_33(4XNE/A) = [4.8] Download602.6326.50MMFNEAAVPFIQTARDNGLLFGGSNVPAMIDYTSEHRKSYHVRGSVFEVAPHFEVLNGIGYGAYGVVCAAVDLRLVASSVYYNEAMRIIEEGGRIVTRQRRGHDAPVYFRTRAVLDEAGRGGPVRVPHLYSEPFKRRVLACGGVSPFVAIKKVTKVFDDLVDGRRILREIKLLRYLQGHPNIVRLMEVGRPHVPTGASSSAAFDDIYLVTDLMDTDLAALLKSSQEIEMDQFRFIAYQLMKVLVYVHSSGVIHRDLKPGNILLNGNCDMKLCDFGLSRGGVPAWPHESTLTAVATAAESSAKELEDWGLFCWSSSAVRGASSAPHAAKQPPLYSLTDYVVTRYYRAPELLIMGRYNHAIDMWSAGCILAEMLLRRPLFTGANYLSQLALILETPGLRGVPQTPEQVAALFEGGEEGKHFINDILFRKTARGRDSLTLSNQVHSQVLFHSTLFGFNVDIPISLGILIAKLLSFDPRKRPTAVEALRDPFFRPLYDSRDEILRCPASDPSVEREEIDDIAAYQKAHPCVVVDESPVFTWEFDHRITSAQALRSLFEEECQISRDVQQQIERQQRPR
Complex: ANP_A_5(4IC7) / Model_1(4IC7/A) = [3.6] Download1516.0519.11MMFNEAAVPFIQTARDNGLLFGGSNVPAMIDYTSEHRKSYHVRGSVFEVAPHFEVLNGIGYGAYGVVCAAVDLRLVASSVYYNEAMRIIEEGGRIVTRQRRGHDAPVYFRTRAVLDEAGRGGPVRVPHLYSEPFKRRVLACGGVSPFVAIKKVTKVFDDLVDGRRILREIKLLRYLQGHPNIVRLMEVGRPHVPTGASSSAAFDDIYLVTDLMDTDLAALLKSSQEIEMDQFRFIAYQLMKVLVYVHSSGVIHRDLKPGNILLNGNCDMKLCDFGLSRGGVPAWPHESTLTAVATAAESSAKELEDWGLFCWSSSAVRGASSAPHAAKQPPLYSLTDYVVTRYYRAPELLIMGRYNHAIDMWSAGCILAEMLLRRPLFTGANYLSQLALILETPGLRGVPQTPEQVAALFEGGEEGKHFINDILFRKTARGRDSLTLSNQVHSQVLFHSTLFGFNVDIPISLGILIAKLLSFDPRKRPTAVEALRDPFFRPLYDSRDEILRCPASDPSVEREEIDDIAAYQKAHPCVVVDESPVFTWEFDHRITSAQALRSLFEEECQISRDVQQQIERQQRPR
Consensus
[pKd Mean = 4.65]		-1160
(s=344)		21
(s=5)		MMFNEAAVPFIQTARDNGLLFGGSNVPAMIDYTSEHRKSYHVRGSVFEVAPHFEVLNGIGYGAYGVVCAAVDLRLVASSVYYNEAMRIIEEGGRIVTRQRRGHDAPVYFRTRAVLDEAGRGGPVRVPHLYSEPFKRRVLACGGVSPFVAIKKVTKVFDDLVDGRRILREIKLLRYLQGHPNIVRLMEVGRPHVPTGASSSAAFDDIYLVTDLMDTDLAALLKSSQEIEMDQFRFIAYQLMKVLVYVHSSGVIHRDLKPGNILLNGNCDMKLCDFGLSRGGVPAWPHESTLTAVATAAESSAKELEDWGLFCWSSSAVRGASSAPHAAKQPPLYSLTDYVVTRYYRAPELLIMGRYNHAIDMWSAGCILAEMLLRRPLFTGANYLSQLALILETPGLRGVPQTPEQVAALFEGGEEGKHFINDILFRKTARGRDSLTLSNQVHSQVLFHSTLFGFNVDIPISLGILIAKLLSFDPRKRPTAVEALRDPFFRPLYDSRDEILRCPASDPSVEREEIDDIAAYQKAHPCVVVDESPVFTWEFDHRITSAQALRSLFEEECQISRDVQQQIERQQRPR



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]
GLY58C141[C],
ILE59O942[N], 7[C],
ILE59CA742[N], 5[C],
ILE59CD1642[N], 4[C],
ILE59C942[N], 7[C],
ILE59CG11043[N], 7[C],
ILE59CB1143[N], 8[C],
ILE59N343[C],
ILE59CG21143[N], 8[C],
GLY60N842[N], 6[C],
GLY60C646[C],
GLY60O646[C],
GLY60CA646[C],
TYR61C646[C],
TYR61CB343[C],
TYR61N646[C],
TYR61CA646[C],
TYR61O646[C],
GLY62N741[N], 6[C],
GLY62O343[C],
GLY62C646[C],
GLY62CA842[N], 6[C],
ALA63CB141[C],
ALA63N444[C],
ALA63CA242[C],
GLY65O343[C],
VAL66O242[C],
VAL66C343[C],
VAL67O641[N], 5[C],
VAL67CG21244[N], 8[C],
VAL67CA942[N], 7[C],
VAL67CG11244[N], 8[C],
VAL67CB1244[N], 8[C],
VAL67C1043[N], 7[C],
VAL67N646[C],
CYS68C642[N], 4[C],
CYS68N641[N], 5[C],
CYS68O944[N], 5[C],
CYS68CA242[C],
ALA69CA241[N], 1[C],
ALA69N341[N], 2[C],
ALA69CB241[N], 1[C],
VAL148CB343[N],
VAL148O18410[N], 8[C],
VAL148C21410[N], 11[C],
VAL148CA1147[N], 4[C],
ALA149N33417[C], 15[N], 1[I],
ALA149O29417[C], 11[N], 1[I],
ALA149CB4943[O], 18[N], 27[C], 1[I],
ALA149CA41422[C], 18[N], 1[I],
ALA149C39420[C], 18[N], 1[I],
ILE150C2549[N], 15[C], 1[I],
ILE150CA1748[C], 8[N], 1[I],
ILE150N38417[N], 20[C], 1[I],
ILE150O2542[O], 14[C], 8[N], 1[I],
LYS151C443[O], 1[I],
LYS151CG52417[O], 22[C], 8[N], 1[I], 4[P],
LYS151CE59419[O], 24[C], 10[N], 1[I], 5[P],
LYS151CB55414[O], 11[N], 25[C], 1[I], 4[P],
LYS151N2342[O], 9[N], 11[C], 1[I],
LYS151NZ58420[O], 22[C], 10[N], 1[I], 5[P],
LYS151CD56416[O], 24[C], 11[N], 1[I], 4[P],
LYS151CA2849[O], 8[N], 8[C], 1[I], 2[P],
LYS152O544[O], 1[P],
VAL153CG1645[O], 1[P],
VAL153CG2443[O], 1[P],
VAL153CB141[O],
VAL153CA141[O],
ARG165CG544[O], 1[P],
ARG165O141[O],
ARG165CB141[O],
ARG165CD1147[O], 1[N], 3[P],
ARG165CZ20414[O], 1[N], 5[P],
ARG165NE17412[O], 1[N], 4[P],
ARG165C141[O],
ILE166CG1141[O],
ILE166CD1241[O], 1[P],
GLU169OE122415[O], 1[N], 1[I], 5[P],
GLU169CD17411[O], 1[N], 1[I], 4[P],
GLU169CG746[O], 1[P],
GLU169OE220413[O], 1[N], 1[C], 1[I], 4[P],
GLU169CB242[O],
LEU173CD1242[O],
LEU173CG141[I],
LEU173CD2141[I],
VAL183N342[N], 1[I],
VAL183CB23410[N], 12[C], 1[I],
VAL183CG23741[O], 19[C], 16[N], 1[I],
VAL183O342[N], 1[I],
VAL183C544[N], 1[I],
VAL183CA942[C], 6[N], 1[I],
VAL183CG13442[O], 17[C], 14[N], 1[I],
ARG184CA242[N],
ARG184O744[N], 2[C], 1[I],
ARG184N544[N], 1[I],
ARG184C443[N], 1[I],
LEU185CD2141[I],
LEU208CG141[I],
LEU208C141[I],
LEU208O741[C], 5[N], 1[I],
LEU208CB141[I],
LEU208CD1241[O], 1[I],
VAL209C641[C], 4[N], 1[I],
VAL209CA242[N],
VAL209O343[N],
THR210CB33419[C], 13[N], 1[I],
THR210CG22641[O], 11[N], 13[C], 1[I],
THR210OG140421[C], 18[N], 1[I],
THR210C24412[C], 11[N], 1[I],
THR210O26413[C], 12[N], 1[I],
THR210CA2149[C], 11[N], 1[I],
THR210N1948[C], 10[N], 1[I],
ASP211C32416[C], 15[N], 1[I],
ASP211OD1343[N],
ASP211CA22411[C], 10[N], 1[I],
ASP211OD2444[N],
ASP211N23411[C], 11[N], 1[I],
ASP211O40421[C], 18[N], 1[I],
ASP211CG745[N], 2[C],
ASP211CB1448[N], 6[C],
LEU212CD131415[N], 16[C],
LEU212O27413[N], 14[C],
LEU212CA35417[C], 17[N], 1[I],
LEU212CG30413[N], 17[C],
LEU212N31415[C], 15[N], 1[I],
LEU212C34417[C], 17[N],
LEU212CD229415[C], 14[N],
LEU212CB27413[N], 14[C],
MET213C4341[O], 18[N], 24[C],
MET213CA41418[N], 23[C],
MET213N43418[N], 24[C], 1[I],
MET213SD28414[N], 14[C],
MET213CG40422[C], 18[N],
MET213CE19410[N], 9[C],
MET213CB4842[O], 18[N], 27[C], 1[I],
MET213O5044[O], 18[N], 28[C],
ASP214OD1743[C], 4[N],
ASP214CA1948[N], 11[C],
ASP214CG341[N], 2[C],
ASP214C2741[O], 9[N], 17[C],
ASP214O2743[O], 15[C], 9[N],
ASP214CB1044[C], 6[N],
ASP214N28413[N], 15[C],
THR215CB842[O], 3[N], 3[C],
THR215OG1942[O], 3[N], 4[C],
THR215CA3444[O], 10[N], 20[C],
THR215O5546[O], 17[N], 32[C],
THR215CG2141[O],
THR215C4546[O], 13[N], 26[C],
THR215N3243[O], 10[N], 19[C],
ASP216N3746[O], 9[N], 22[C],
ASP216CG43410[O], 8[N], 25[C],
ASP216C1045[O], 5[C],
ASP216OD12247[O], 3[N], 12[C],
ASP216O643[O], 3[C],
ASP216CA3547[O], 8[N], 20[C],
ASP216CB54410[O], 12[N], 32[C],
ASP216OD250411[O], 10[N], 28[C], 1[P],
LEU217N744[O], 3[C],
ALA218N444[O],
ALA218CB644[O], 2[C],
ALA218CA343[O],
ALA219N343[O],
ALA219CB443[O], 1[C],
ALA219CA242[O],
HIS253NE2141[O],
HIS253CE1141[O],
ASP255OD1242[O],
ASP255O242[O],
ASP255CG645[O], 1[P],
ASP255CB141[O],
ASP255OD21349[O], 1[N], 3[P],
LYS257CD444[O],
LYS257CG444[O],
LYS257CE15412[O], 1[C], 2[P],
LYS257O242[O],
LYS257NZ13410[O], 1[N], 2[P],
PRO258O945[O], 4[C],
PRO258C844[O], 4[C],
PRO258CA242[O],
GLY259O62418[O], 9[N], 31[C], 1[I], 3[P],
GLY259CA27412[O], 1[N], 13[C], 1[P],
GLY259C40416[O], 2[N], 20[C], 2[P],
GLY259N1347[O], 6[C],
ASN260ND225416[O], 6[C], 3[P],
ASN260O2048[O], 2[N], 9[C], 1[P],
ASN260N32416[O], 1[N], 14[C], 1[P],
ASN260CG36419[O], 11[C], 1[N], 5[P],
ASN260OD152424[O], 18[C], 4[N], 1[I], 5[P],
ASN260CB29416[O], 10[C], 3[P],
ASN260C26411[O], 2[N], 12[C], 1[P],
ASN260CA43418[O], 3[N], 19[C], 3[P],
ILE261N1747[O], 1[N], 8[C], 1[P],
ILE261C1345[O], 2[N], 6[C],
ILE261O1345[O], 1[N], 7[C],
ILE261CA743[O], 4[C],
LEU262CB5848[O], 18[N], 31[C], 1[I],
LEU262N4445[O], 14[N], 25[C],
LEU262CD175416[O], 18[N], 38[C], 1[I], 2[P],
LEU262CG74416[O], 18[N], 38[C], 1[I], 1[P],
LEU262CA5245[O], 18[N], 29[C],
LEU262C2449[N], 15[C],
LEU262CD277417[O], 18[N], 39[C], 1[I], 2[P],
LEU263O1245[C], 7[N],
LEU263C643[N], 3[C],
LEU263CA141[C],
LEU263N2141[O], 7[N], 13[C],
LYS270CB343[N],
LYS270O542[C], 3[N],
LYS270CE141[N],
LYS270NZ141[N],
LYS270CD645[N], 1[C],
LEU271O241[C], 1[I],
LEU271C241[O], 1[I],
CYS272CB71419[O], 16[N], 32[C], 1[I], 3[P],
CYS272O1249[O], 1[I], 2[P],
CYS272CA35411[O], 6[N], 15[C], 1[I], 2[P],
CYS272SG85424[O], 37[C], 18[N], 1[I], 5[P],
CYS272N1244[O], 2[N], 4[C], 1[I], 1[P],
CYS272C27414[O], 2[N], 6[C], 1[I], 4[P],
ASP273OD251425[O], 18[C], 2[N], 1[I], 5[P],
ASP273O16411[O], 5[P],
ASP273CB45421[O], 15[C], 3[N], 1[I], 5[P],
ASP273OD141421[O], 12[C], 2[N], 1[I], 5[P],
ASP273CG46422[O], 16[C], 2[N], 1[I], 5[P],
ASP273CA36418[O], 9[C], 3[N], 1[I], 5[P],
ASP273C21414[O], 1[N], 1[I], 5[P],
ASP273N42417[O], 15[C], 4[N], 1[I], 5[P],
PHE274N13410[O], 3[P],
PHE274CA343[O],
PHE274CD2141[O],
PHE274C343[O],
GLY275O141[O],
GLY275C343[O],
GLY275CA544[O], 1[P],
GLY275N745[O], 2[P],
LEU276CD2342[O], 1[P],
LEU276CA141[O],
LEU276CD1645[O], 1[P],
LEU276CG544[O], 1[P],
LEU276CB141[O],
LEU276N242[O],
VAL339CG2242[O],
Total = 243



Download csv file of statistical distribution of contacts