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 :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: PAL_B_7(1EKX) / Model_104(1EKX/B) = [7.5] Download451.535.64MHIAALHQPSQVQLNQDGNLKHFLTIEGLSKENLTKILDTAQSFLDDNNNLINRPLLEGRTVMNLFFENSTRTRTTFEAAAKRLSANVLNIDIARSSTSKGETLRDTLWNLEAMAADIFVVRHSSSGAAHFIAKDVCPKVAIINAGDGRHAHPTQAMLDMLTIRREMKKPFEDLSVAIIGDIKHSRVARSDVAALQTLGCKDIRVIAPNTLLPVGFSEYGDHVRLFNNMDEGITGCDVIIALRIQNERIDSPALSSQSEFYRMYGLNKERLSLAKPDCIVMHPGPMNRGVEIDSSIADGEQSVILKQVTNGIAVRMAVLALSMQGQLQEQGLIDAIAL
Complex: 6PR_A_8(2H3E) / Model_78(2H3E/A) = [7.3] Download511.734.04MHIAALHQPSQVQLNQDGNLKHFLTIEGLSKENLTKILDTAQSFLDDNNNLINRPLLEGRTVMNLFFENSTRTRTTFEAAAKRLSANVLNIDIARSSTSKGETLRDTLWNLEAMAADIFVVRHSSSGAAHFIAKDVCPKVAIINAGDGRHAHPTQAMLDMLTIRREMKKPFEDLSVAIIGDIKHSRVARSDVAALQTLGCKDIRVIAPNTLLPVGFSEYGDHVRLFNNMDEGITGCDVIIALRIQNERIDSPALSSQSEFYRMYGLNKERLSLAKPDCIVMHPGPMNRGVEIDSSIADGEQSVILKQVTNGIAVRMAVLALSMQGQLQEQGLIDAIAL
Complex: 1IP_A_7(2IPO) / Model_76(2IPO/A) = [6.0] Download496.646.32MHIAALHQPSQVQLNQDGNLKHFLTIEGLSKENLTKILDTAQSFLDDNNNLINRPLLEGRTVMNLFFENSTRTRTTFEAAAKRLSANVLNIDIARSSTSKGETLRDTLWNLEAMAADIFVVRHSSSGAAHFIAKDVCPKVAIINAGDGRHAHPTQAMLDMLTIRREMKKPFEDLSVAIIGDIKHSRVARSDVAALQTLGCKDIRVIAPNTLLPVGFSEYGDHVRLFNNMDEGITGCDVIIALRIQNERIDSPALSSQSEFYRMYGLNKERLSLAKPDCIVMHPGPMNRGVEIDSSIADGEQSVILKQVTNGIAVRMAVLALSMQGQLQEQGLIDAIAL
Complex: EOB_A_9(2FZG) / Model_82(2FZG/A) = [5.1] Download759.0415.08MHIAALHQPSQVQLNQDGNLKHFLTIEGLSKENLTKILDTAQSFLDDNNNLINRPLLEGRTVMNLFFENSTRTRTTFEAAAKRLSANVLNIDIARSSTSKGETLRDTLWNLEAMAADIFVVRHSSSGAAHFIAKDVCPKVAIINAGDGRHAHPTQAMLDMLTIRREMKKPFEDLSVAIIGDIKHSRVARSDVAALQTLGCKDIRVIAPNTLLPVGFSEYGDHVRLFNNMDEGITGCDVIIALRIQNERIDSPALSSQSEFYRMYGLNKERLSLAKPDCIVMHPGPMNRGVEIDSSIADGEQSVILKQVTNGIAVRMAVLALSMQGQLQEQGLIDAIAL
Complex: CP_A_4(3R7F) / Model_3(3R7F/A) = [4.5] Download353.5110.75MHIAALHQPSQVQLNQDGNLKHFLTIEGLSKENLTKILDTAQSFLDDNNNLINRPLLEGRTVMNLFFENSTRTRTTFEAAAKRLSANVLNIDIARSSTSKGETLRDTLWNLEAMAADIFVVRHSSSGAAHFIAKDVCPKVAIINAGDGRHAHPTQAMLDMLTIRREMKKPFEDLSVAIIGDIKHSRVARSDVAALQTLGCKDIRVIAPNTLLPVGFSEYGDHVRLFNNMDEGITGCDVIIALRIQNERIDSPALSSQSEFYRMYGLNKERLSLAKPDCIVMHPGPMNRGVEIDSSIADGEQSVILKQVTNGIAVRMAVLALSMQGQLQEQGLIDAIAL
Consensus
[pKd Mean = 6.08]		-514
(s=134)		8
(s=4)		MHIAALHQPSQVQLNQDGNLKHFLTIEGLSKENLTKILDTAQSFLDDNNNLINRPLLEGRTVMNLFFENSTRTRTTFEAAAKRLSANVLNIDIARSSTSKGETLRDTLWNLEAMAADIFVVRHSSSGAAHFIAKDVCPKVAIINAGDGRHAHPTQAMLDMLTIRREMKKPFEDLSVAIIGDIKHSRVARSDVAALQTLGCKDIRVIAPNTLLPVGFSEYGDHVRLFNNMDEGITGCDVIIALRIQNERIDSPALSSQSEFYRMYGLNKERLSLAKPDCIVMHPGPMNRGVEIDSSIADGEQSVILKQVTNGIAVRMAVLALSMQGQLQEQGLIDAIAL



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]
PHE66CE2373[O],
PHE66CE1171[O],
GLU68OE2171[O],
GLU68OE1371[C], 2[O],
ASN69C1674[P], 12[O],
ASN69CA171[O],
ASN69O2376[P], 17[O],
ASN69CB171[O],
SER70OG4671[N], 13[C], 7[P], 25[O],
SER70CA28717[O], 7[P], 4[C],
SER70CB31720[O], 7[P], 4[C],
SER70O2171[C], 13[O], 7[P],
SER70N20714[O], 6[P],
SER70C2677[P], 17[O], 2[C],
THR71C2775[C], 6[P], 16[O],
THR71CB1875[P], 13[O],
THR71N2877[P], 16[O], 5[C],
THR71OG11074[P], 6[O],
THR71CG2575[O],
THR71CA23716[O], 5[P], 2[C],
THR71O1479[O], 5[P],
ARG72CD4276[P], 17[O], 12[C], 7[N],
ARG72O1173[P], 7[O], 1[C],
ARG72CG35711[C], 15[O], 7[P], 2[N],
ARG72CA3271[N], 7[P], 16[O], 8[C],
ARG72CZ4675[N], 7[P], 20[O], 14[C],
ARG72NE4277[P], 17[O], 15[C], 3[N],
ARG72C2976[P], 14[O], 9[C],
ARG72N3477[P], 19[O], 8[C],
ARG72CB4573[N], 13[C], 22[O], 7[P],
THR73CA37712[C], 18[O], 6[P], 1[N],
THR73N4677[P], 24[O], 13[C], 2[N],
THR73C875[O], 3[P],
THR73OG16677[P], 29[O], 23[C], 7[N],
THR73CB4572[N], 7[P], 22[O], 14[C],
THR73O575[O],
THR73CG21974[P], 11[O], 4[C],
ARG74CA373[O],
ARG74N973[P], 6[O],
ARG74CB171[O],
THR76OG1171[O],
ARG122CD1572[C], 13[O],
ARG122NE38720[O], 6[P], 11[C], 1[N],
ARG122CZ7078[P], 32[O], 24[C], 6[N],
ALA145O1079[O], 1[C],
GLY148O371[N], 2[O],
HIS152CD25079[N], 13[O], 28[C],
HIS152NE264731[C], 19[O], 4[P], 10[N],
HIS152CE15079[N], 22[C], 17[O], 2[P],
HIS152ND12573[N], 11[O], 11[C],
HIS152CB971[N], 5[C], 3[O],
HIS152CG3374[N], 12[O], 17[C],
GLN155N171[O],
GLN155CD3377[O], 18[C], 8[N],
GLN155NE21974[N], 6[O], 9[C],
GLN155CG2276[O], 12[C], 4[N],
GLN155CB1475[C], 5[O], 4[N],
GLN155CA171[O],
GLN155OE14471[P], 8[O], 27[C], 8[N],
HIS184O171[O],
HIS184C171[O],
SER185C571[N], 2[C], 2[O],
SER185CA571[N], 2[C], 2[O],
SER185OG1071[N], 5[C], 3[O], 1[P],
SER185N271[C], 1[O],
SER185O271[C], 1[O],
SER185CB771[P], 3[O], 2[C], 1[N],
ARG186CA774[O], 1[C], 2[N],
ARG186CG2773[N], 17[C], 7[O],
ARG186NE4277[N], 1[P], 16[O], 18[C],
ARG186N872[C], 4[O], 2[N],
ARG186CD2178[O], 11[C], 2[N],
ARG186C771[C], 4[O], 2[N],
ARG186CZ3473[N], 15[C], 15[O], 1[P],
ARG186CB774[O], 1[C], 2[N],
VAL187N1673[N], 9[C], 4[O],
VAL187CG253728[C], 14[O], 1[P], 10[N],
VAL187CB2671[P], 5[O], 16[C], 4[N],
VAL187C171[O],
VAL187CG1971[N], 2[O], 6[C],
VAL187CA1274[O], 5[C], 3[N],
ALA188N171[O],
ALA241C171[O],
ALA241O171[O],
LEU242CB571[C], 1[P], 3[O],
LEU242CG571[C], 3[O], 1[P],
LEU242N171[O],
LEU242O272[O],
LEU242CD1272[O],
LEU242C671[P], 5[O],
LEU242CD2975[C], 1[P], 3[O],
LEU242CA471[P], 2[O], 1[C],
ARG243CB1771[N], 1[P], 8[O], 7[C],
ARG243CZ2271[N], 9[C], 10[O], 2[P],
ARG243CG1371[P], 8[O], 3[C], 1[N],
ARG243C675[O], 1[P],
ARG243CA1071[P], 6[O], 3[C],
ARG243NE2072[P], 10[O], 7[C], 1[N],
ARG243O1271[P], 7[O], 4[C],
ARG243N1275[C], 6[O], 1[P],
ARG243CD1471[P], 9[O], 3[C], 1[N],
ILE244N171[O],
GLN245OE12472[N], 12[C], 10[O],
GLN245CD1972[N], 10[C], 7[O],
GLN245CG673[O], 3[C],
GLN245NE22172[N], 12[C], 7[O],
GLU247OE2771[N], 2[C], 4[O],
ARG248NE271[O], 1[N],
HIS282ND1571[P], 4[O],
HIS282NE2171[O],
HIS282C171[O],
HIS282CE1871[P], 5[O], 2[C],
HIS282CD2171[O],
HIS282CG171[O],
PRO283CG4079[N], 22[C], 8[O], 1[P],
PRO283O4978[N], 4[P], 12[O], 25[C],
PRO283CD875[C], 2[O], 1[P],
PRO283CA3278[N], 20[C], 3[O], 1[P],
PRO283N1072[N], 2[O], 1[P], 5[C],
PRO283CB5278[N], 33[C], 10[O], 1[P],
PRO283C4571[P], 11[O], 25[C], 8[N],
GLY284N3471[P], 7[O], 19[C], 7[N],
GLY284CA35720[C], 7[O], 1[P], 7[N],
GLY284O88710[N], 34[C], 35[O], 9[P],
GLY284C6279[N], 24[C], 24[O], 5[P],
PRO285CA1175[O], 4[C], 2[N],
PRO285CB474[O],
PRO285C774[O], 3[C],
PRO285O1571[N], 6[C], 7[O], 1[P],
PRO285CG27717[O], 2[P], 5[C], 3[N],
PRO285N5277[N], 20[C], 20[O], 5[P],
PRO285CD59720[C], 24[O], 8[P], 7[N],
VAL308CG2171[O],
ARG315CZ171[O],
Total = 134



Download csv file of statistical distribution of contacts