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 :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: ADP_A_6(4PFK) / Model_4(4PFK/A) = [5.3] Download724.533.23MFIMKRIGILTSGGDAPGMNAAVRAVVRKGIYEGLEVYGINYGFAGLVAGDIRRLDVADVGDKIQRGGTFLYSARYPEFATEEGQLKGIEQLKKFGIEGLVVIGGDGSYHGAMALTKRGFPAVGIPGTIDNDIPGTDFTIGFDTAINTVLESIDRIRDTATSHVRTFVIEVMGRNAGDIALWSGVAGGADEIIIPEHDFDMASVAKKIQEGRDRGKKHCLIILAEGVMGGNEFAEKLSEFGDYHTRVSILGHVVRGGAPSARDRVLASKFGAYAVELLQEGKGGLCVGIHDNEIVASDIIDTLENNKHKPDLSLYDLNNSLSF
Complex: PEP_C_7(4I7E) / Model_30(4I7E/D) = [3.1] Download415.5610.45MFIMKRIGILTSGGDAPGMNAAVRAVVRKGIYEGLEVYGINYGFAGLVAGDIRRLDVADVGDKIQRGGTFLYSARYPEFATEEGQLKGIEQLKKFGIEGLVVIGGDGSYHGAMALTKRGFPAVGIPGTIDNDIPGTDFTIGFDTAINTVLESIDRIRDTATSHVRTFVIEVMGRNAGDIALWSGVAGGADEIIIPEHDFDMASVAKKIQEGRDRGKKHCLIILAEGVMGGNEFAEKLSEFGDYHTRVSILGHVVRGGAPSARDRVLASKFGAYAVELLQEGKGGLCVGIHDNEIVASDIIDTLENNKHKPDLSLYDLNNSLSF
Consensus
[pKd Mean = 4.20]		-570
(s=154)		6
(s=3)		MFIMKRIGILTSGGDAPGMNAAVRAVVRKGIYEGLEVYGINYGFAGLVAGDIRRLDVADVGDKIQRGGTFLYSARYPEFATEEGQLKGIEQLKKFGIEGLVVIGGDGSYHGAMALTKRGFPAVGIPGTIDNDIPGTDFTIGFDTAINTVLESIDRIRDTATSHVRTFVIEVMGRNAGDIALWSGVAGGADEIIIPEHDFDMASVAKKIQEGRDRGKKHCLIILAEGVMGGNEFAEKLSEFGDYHTRVSILGHVVRGGAPSARDRVLASKFGAYAVELLQEGKGGLCVGIHDNEIVASDIIDTLENNKHKPDLSLYDLNNSLSF



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]
ARG157CG18210[O], 6[C], 2[P],
ARG157NE22213[O], 6[C], 3[P],
ARG157CD2123[P], 6[C], 12[O],
ARG157CZ27216[O], 8[C], 3[P],
THR161OG11024[O], 5[C], 1[N],
THR161CG21123[O], 6[C], 2[N],
VAL164CG1121[O],
ASP190OD21122[P], 2[C], 7[O],
ASP190CG1122[P], 2[C], 7[O],
ASP190OD114210[O], 2[C], 2[P],
ARG212CZ121[C],
ARG214NE2229[O], 7[C], 2[P], 4[N],
ARG214CD1726[O], 6[C], 1[P], 4[N],
ARG214CZ3225[N], 3[P], 12[C], 12[O],
ARG214CG1022[N], 5[C], 3[O],
LYS216CG37213[C], 16[O], 3[P], 5[N],
LYS216CD3322[N], 16[O], 12[C], 3[P],
LYS216NZ2822[N], 3[P], 9[C], 14[O],
LYS216CE30211[C], 14[O], 3[P], 2[N],
LYS217CE2325[N], 13[C], 5[O],
LYS217CD25213[C], 7[O], 5[N],
LYS217NZ1625[N], 3[O], 8[C],
LYS217CG28213[C], 9[O], 1[P], 5[N],
HIS218CG2721[N], 3[P], 9[C], 14[O],
HIS218CD22823[P], 15[O], 9[C], 1[N],
HIS218CE129216[O], 9[C], 3[P], 1[N],
HIS218ND12821[N], 3[P], 9[C], 15[O],
HIS218NE22921[N], 16[O], 9[C], 3[P],
LEU220CG723[O], 3[C], 1[P],
LEU220CD2121[O],
LEU220CD11122[P], 3[C], 6[O],
SER322OG822[P], 6[O],
PHE323CD2121[O],
Total = 33



Download csv file of statistical distribution of contacts