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 :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: GDP_A_4(2HJG) / Model_4(2HJG/A) = [6.7] Download787.961.47MANPTIAIVGRPNVGKSTIFNRIAGERISIVEDTPGVTRDRIYAKGEWLGREFSVIDTGGIDLGDEPFMDQIKHQAEIAIEEADVIICVVSGREGVTDADEMVAKILYRSNKPVILAVNKVDNPEMRNDIYEFYSLGLGDPYPVSGSHGLGIGDILDEAVKYFSEETEEEDDDTIKFSLIGRPNVGKSSLINAILGEERVIVSDIEGTTRDAIDTHFVSESGQKFLMIDTAGMRKRGKVYENTEKYSVMRAMRAIDRSDIVLMVLNAEEGIREQDKRVAGYAHEAGRGIIIVVNKWDLVKKETNTMRDFEQEIRDEFRYLDYAPIVFVSAVTKQRLERLPEMIEQVSMNQNLRISSAVLNDIIMDAVAINPTPTDKGKRLKIFYATQVAVKPPTFVVFVNEEELMHFSYERFLENQIRKAFTFEGTSIRIIPRRRK
Consensus
[pKd Mean = 6.70]		-787
(s=0)		1
(s=0)		MANPTIAIVGRPNVGKSTIFNRIAGERISIVEDTPGVTRDRIYAKGEWLGREFSVIDTGGIDLGDEPFMDQIKHQAEIAIEEADVIICVVSGREGVTDADEMVAKILYRSNKPVILAVNKVDNPEMRNDIYEFYSLGLGDPYPVSGSHGLGIGDILDEAVKYFSEETEEEDDDTIKFSLIGRPNVGKSSLINAILGEERVIVSDIEGTTRDAIDTHFVSESGQKFLMIDTAGMRKRGKVYENTEKYSVMRAMRAIDRSDIVLMVLNAEEGIREQDKRVAGYAHEAGRGIIIVVNKWDLVKKETNTMRDFEQEIRDEFRYLDYAPIVFVSAVTKQRLERLPEMIEQVSMNQNLRISSAVLNDIIMDAVAINPTPTDKGKRLKIFYATQVAVKPPTFVVFVNEEELMHFSYERFLENQIRKAFTFEGTSIRIIPRRRK



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]
ILE8CG2311[P], 2[O],
ARG11CG212[O],
PRO12CD411[P], 3[O],
PRO12CG511[P], 4[O],
ASN13ND21417[O], 5[C], 2[P],
ASN13CG1712[P], 1[N], 9[O], 5[C],
ASN13OD12217[C], 10[O], 3[N], 2[P],
VAL14CG2912[P], 6[O], 1[C],
VAL14CG1611[P], 1[C], 4[O],
LYS16CG1017[O], 1[C], 2[P],
LYS16NZ1017[O], 1[C], 2[P],
LYS16CD715[O], 2[P],
LYS16CE816[O], 2[P],
SER17OG1012[P], 1[C], 7[O],
THR18OG12712[P], 10[C], 4[N], 11[O],
THR18CG22311[P], 4[N], 8[O], 10[C],
ILE19CG11112[N], 4[O], 4[C], 1[P],
ILE19CD1914[C], 3[N], 2[O],
ASN21OD1111[O],
ASN21CG111[O],
ASN21ND2413[O], 1[P],
ARG22NE111[O],
VAL89CG2111[O],
VAL89CG1311[P], 2[O],
SER91OG411[N], 1[O], 2[C],
ARG93NE1315[N], 2[O], 6[C],
ARG93CZ1718[C], 5[N], 4[O],
ARG93CG613[C], 3[N],
ARG93CD1015[C], 1[O], 4[N],
ASN119CG1816[O], 5[N], 7[C],
ASN119OD11316[C], 5[N], 2[O],
ASN119ND22415[N], 7[O], 10[C], 2[P],
LYS120CE2712[P], 5[N], 10[O], 10[C],
LYS120NZ2712[P], 10[C], 10[O], 5[N],
LYS120CG20110[C], 5[N], 5[O],
LYS120CD2115[N], 6[O], 10[C],
ASP122CG914[C], 1[O], 4[N],
ASP122OD21014[C], 1[O], 5[N],
ASP122OD11115[C], 5[N], 1[O],
VAL144CG2412[C], 1[N], 1[O],
SER145OG1115[N], 1[O], 5[C],
SER147OG1417[C], 2[O], 5[N],
Total = 42



Download csv file of statistical distribution of contacts