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: COA_G_10(4ZRB) / Model_49(4ZRB/G) = [4.1] Download833.7419.43MKYQEETMKDFHFDAISAFENYEIEKMRDGHVVVTTKVVNSSLNYYGNAHGGYLFTLCDQISGLVVISLGLDGVTLQSSINYLKAGKLDDVLTIKGECVHQGRTTCVMDVDITNQEGRNVCKATFTMFVTGQRSEERRVSI
Consensus
[pKd Mean = 4.10]		-833
(s=0)		19
(s=0)		MKYQEETMKDFHFDAISAFENYEIEKMRDGHVVVTTKVVNSSLNYYGNAHGGYLFTLCDQISGLVVISLGLDGVTLQSSINYLKAGKLDDVLTIKGECVHQGRTTCVMDVDITNQEGRNVCKATFTMFVTGQRSEERRVSI



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]
HIS100ND11917[C], 9[O], 1[N], 2[P],
HIS100NE223110[C], 10[O], 1[N], 2[P],
HIS100CD22019[O], 1[N], 2[P], 8[C],
HIS100CE12219[C], 10[O], 1[N], 2[P],
HIS100CG1819[O], 1[N], 2[P], 6[C],
GLN101CG212[O],
ARG103CG26110[C], 5[N], 2[P], 9[O],
ARG103CD28111[O], 2[P], 5[N], 10[C],
ARG103CZ29110[C], 5[N], 3[P], 11[O],
ARG103NE31110[C], 13[O], 3[P], 5[N],
THR104OG13015[N], 2[P], 8[O], 15[C],
THR104CG22015[O], 1[P], 5[N], 9[C],
THR105CG21918[C], 6[O], 2[P], 3[N],
THR105OG12212[N], 2[P], 10[O], 8[C],
CYS106SG111[O],
VAL107CG2512[C], 1[N], 2[O],
THR126CG2312[C], 1[O],
PHE128CE2111[N],
PHE128CD1111[N],
PHE128CE1311[C], 2[N],
PHE128CZ211[C], 1[N],
VAL129CG2312[O], 1[P],
Total = 22



Download csv file of statistical distribution of contacts