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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: RIB_D_8(4RK0) / Model_21(4RK0/D) = [3.9] Download152.068.17MNMVKKKITIKEVAKLSGVSITTVSLILNGNTEKFSPKTVQKVLAAKEELGYQPDYFARQMITKETKTIGVLVPDITNPFFSTLMRGIEDILYKQNFVTILCNADSDHQKEIEYLAELTRRGVDGFIIATSAVSTDAINENLKKQGRPFIVLDQKKSEGFSDAVRTDDFRGGYLAGMHLLSLGHQTIALVYPENPPENVHARIEGFKSALDVYQIPHDQLILLPTQFSKQGGYQITAELLDSAATGVFALNDELAFGLYRGLEEAGKSIPEDYSIIGYDNIDMCEYIKPKLTTIAQPIFELGQTSAKLLLDRIQFPEKEWEEKRLPVRLEKRFSTAPLK
Consensus
[pKd Mean = 3.90]		-152
(s=0)		8
(s=0)		MNMVKKKITIKEVAKLSGVSITTVSLILNGNTEKFSPKTVQKVLAAKEELGYQPDYFARQMITKETKTIGVLVPDITNPFFSTLMRGIEDILYKQNFVTILCNADSDHQKEIEYLAELTRRGVDGFIIATSAVSTDAINENLKKQGRPFIVLDQKKSEGFSDAVRTDDFRGGYLAGMHLLSLGHQTIALVYPENPPENVHARIEGFKSALDVYQIPHDQLILLPTQFSKQGGYQITAELLDSAATGVFALNDELAFGLYRGLEEAGKSIPEDYSIIGYDNIDMCEYIKPKLTTIAQPIFELGQTSAKLLLDRIQFPEKEWEEKRLPVRLEKRFSTAPLK



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]
PRO74CD614[C], 2[O],
PRO74CG712[O], 5[C],
ASP75CG311[C], 2[O],
ASP75OD1512[O], 3[C],
ASP75OD2211[C], 1[O],
ASN78CG914[O], 5[C],
ASN78ND21015[O], 5[C],
ASN78OD1815[C], 3[O],
PRO79CD211[O], 1[C],
PHE80CE21015[C], 5[O],
PHE80CD21015[C], 5[O],
PHE80CG1015[O], 5[C],
PHE80CE11015[C], 5[O],
PHE80CZ1015[O], 5[C],
PHE80CD11015[O], 5[C],
PHE81CD11015[O], 5[C],
PHE81CG1015[C], 5[O],
PHE81CD21015[C], 5[O],
PHE81CE11015[O], 5[C],
PHE81CE21015[O], 5[C],
PHE81CZ1015[O], 5[C],
LEU84CD2211[O], 1[C],
ASP153CG1015[C], 5[O],
ASP153OD21015[O], 5[C],
ASP153OD11015[O], 5[C],
GLN154NE21015[C], 5[O],
GLN154CD1015[O], 5[C],
GLN154OE1815[C], 3[O],
GLN154CG1015[C], 5[O],
THR166CG2111[O],
THR166OG1512[C], 3[O],
ASP168CG513[O], 2[C],
ASP168OD1814[C], 4[O],
ASP168OD2413[O], 1[C],
PRO192CG111[O],
PRO196CD312[O], 1[C],
PRO196CG613[O], 3[C],
ASN198ND21015[O], 5[C],
ASN198CG814[O], 4[C],
ASN198OD1814[O], 4[C],
VAL199CG1814[C], 4[O],
VAL199CG21015[C], 5[O],
ARG202CZ1015[O], 5[C],
ARG202NE1015[C], 5[O],
ARG202CG212[O],
ARG202CD814[O], 4[C],
PHE227CZ1015[O], 5[C],
PHE227CE11015[O], 5[C],
PHE227CE21015[C], 5[O],
PHE227CG915[C], 4[O],
PHE227CD21015[C], 5[O],
PHE227CD11015[O], 5[C],
ASN251CG1015[C], 5[O],
ASN251ND21015[O], 5[C],
ASN251OD1613[O], 3[C],
ASP252CG212[O],
ASP252OD1212[O],
ASP252OD2212[O],
GLU253CG411[O], 3[C],
GLU253OE2211[C], 1[O],
GLU253CD211[O], 1[C],
GLU253OE1111[O],
LEU254CG111[O],
TYR278CZ311[C], 2[O],
TYR278CD1915[C], 4[O],
TYR278CD2211[C], 1[O],
TYR278CE2111[O],
TYR278CE1713[O], 4[C],
TYR278CG613[C], 3[O],
ASP279CG1015[C], 5[O],
ASP279OD21015[C], 5[O],
ASP279OD11015[C], 5[O],
ILE281CG2513[C], 2[O],
ILE281CD1111[O],
ILE281CG1111[O],
GLN296OE11015[O], 5[C],
GLN296CG713[O], 4[C],
GLN296NE21015[O], 5[C],
GLN296CD1015[C], 5[O],
ILE298CG1512[C], 3[O],
ILE298CD1713[O], 4[C],
ILE298CG2211[C], 1[O],
LEU301CG111[O],
LEU301CD2211[C], 1[O],
Total = 84



Download csv file of statistical distribution of contacts