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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: ALA_C_13(4G4Y) / Model_40(4G4Y/C) = [3.5] Download3372.4020.33MRALVISTVVGAAVVLSGCQTTGNNLGGVEYDKATLGTLIGAAAGYGISKSNANSSRQNNRAAAIGAVLGAAGGLYLDQKEKKLREQMAGTGVEVGRNPDGSVQLIMPGSITFDTNKSNIKPNFYATLDKVAQTLAEDNKSAILVTGYTDNTGNDSINIPLSQARAQSVKNYLAGKGVPSSRIDAQGYGSSNPIADNSTASGREQNRRVEISIYAKQ
Complex: 7QA_D_21(5U1H) / Model_63(5U1H/D) = [3.2] Download559.53-5.08MRALVISTVVGAAVVLSGCQTTGNNLGGVEYDKATLGTLIGAAAGYGISKSNANSSRQNNRAAAIGAVLGAAGGLYLDQKEKKLREQMAGTGVEVGRNPDGSVQLIMPGSITFDTNKSNIKPNFYATLDKVAQTLAEDNKSAILVTGYTDNTGNDSINIPLSQARAQSVKNYLAGKGVPSSRIDAQGYGSSNPIADNSTASGREQNRRVEISIYAKQ
Complex: GLY_E_13(3TD3) / Model_59(3TD3/E) = [3.1] Download2712.2724.90MRALVISTVVGAAVVLSGCQTTGNNLGGVEYDKATLGTLIGAAAGYGISKSNANSSRQNNRAAAIGAVLGAAGGLYLDQKEKKLREQMAGTGVEVGRNPDGSVQLIMPGSITFDTNKSNIKPNFYATLDKVAQTLAEDNKSAILVTGYTDNTGNDSINIPLSQARAQSVKNYLAGKGVPSSRIDAQGYGSSNPIADNSTASGREQNRRVEISIYAKQ
Consensus
[pKd Mean = 3.27]		-2214
(s=1201)		13
(s=13)		MRALVISTVVGAAVVLSGCQTTGNNLGGVEYDKATLGTLIGAAAGYGISKSNANSSRQNNRAAAIGAVLGAAGGLYLDQKEKKLREQMAGTGVEVGRNPDGSVQLIMPGSITFDTNKSNIKPNFYATLDKVAQTLAEDNKSAILVTGYTDNTGNDSINIPLSQARAQSVKNYLAGKGVPSSRIDAQGYGSSNPIADNSTASGREQNRRVEISIYAKQ



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]
PHE113CG832[C], 6[O],
PHE113CD1131[O],
PHE113CD2333[O],
THR115CG22435[N], 12[C], 7[O],
THR115OG11933[N], 10[C], 6[O],
ASN116CG29310[O], 5[N], 14[C],
ASN116ND227313[C], 5[N], 9[O],
ASN116OD128314[C], 5[N], 9[O],
LYS117CG333[O],
LYS117CD232[O],
THR149OG11839[C], 3[N], 6[O],
THR149CG21936[O], 3[N], 10[C],
ASP150OD123312[C], 4[N], 7[O],
ASP150OD219310[C], 3[N], 6[O],
ASP150CG1933[N], 10[C], 6[O],
ASN151CG333[N],
ASN151OD1531[O], 3[N], 1[C],
THR152OG12634[N], 15[C], 7[O],
THR152CG23135[N], 16[C], 10[O],
ASN154ND2532[O], 2[C], 1[N],
ASN154OD1631[N], 3[C], 2[O],
ASN154CG633[C], 1[N], 2[O],
ILE157CG11634[O], 9[C], 3[N],
ILE157CG22635[O], 5[N], 16[C],
ILE157CD11833[N], 10[C], 5[O],
ASN158OD127314[C], 5[N], 8[O],
ASN158ND22637[O], 5[N], 14[C],
ASN158CG2335[N], 12[C], 6[O],
LEU161CD12134[N], 11[C], 6[O],
LEU161CG21311[C], 4[N], 6[O],
LEU161CD22437[O], 4[N], 13[C],
ARG165NE1733[N], 8[C], 6[O],
ARG165CD1236[C], 6[O],
ARG165CG933[C], 6[O],
ARG165CZ1833[N], 9[C], 6[O],
SER190OG333[N],
ASN197OD1632[N], 2[C], 2[O],
ASN197ND2231[N], 1[O],
ARG203NE131[C],
ARG203CG1133[O], 5[C], 3[N],
ARG203CD1337[C], 3[N], 3[O],
ARG207CG1833[N], 9[C], 6[O],
ARG207CZ1736[O], 3[N], 8[C],
ARG207NE1736[O], 3[N], 8[C],
ARG207CD1836[O], 9[C], 3[N],
Total = 45



Download csv file of statistical distribution of contacts