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: G4P_B_10(1LNZ) / Model_37(1LNZ/B) = [6.2] Download649.2423.06MSMFLDQVTIDVKAGKGGDGMVAFRREKYVPDGGPAGGDGGRGGDVILIVDEGLRTLMDFRFNRHFKAQPGENGMSKGMHGRGSEDTYVKVPQGTTVRDAETGALLGDLIENGQTLVVAKGGRGGRGNIRFASPRNPAPEIAENGEPGQERKIELELKVLADVGLVGFPSVGKSTLLSVISSARPKIGAYHFTTLVPNLGMVTTSDGRSFAAADLPGLIEGASQGVGLGTQFLRHIERTRVILHVIDMSGMEGRDPYEDYLAINKELSTYNLRLLERPQIIVANKMDMPDAQENLVKFKEQLNKEKEDEFADDIPVFPISGVTRQGLDALLNATADLLEVTPEFPLYEEELEERNCTLWIQSRRS
Consensus
[pKd Mean = 6.20]		-649
(s=0)		23
(s=0)		MSMFLDQVTIDVKAGKGGDGMVAFRREKYVPDGGPAGGDGGRGGDVILIVDEGLRTLMDFRFNRHFKAQPGENGMSKGMHGRGSEDTYVKVPQGTTVRDAETGALLGDLIENGQTLVVAKGGRGGRGNIRFASPRNPAPEIAENGEPGQERKIELELKVLADVGLVGFPSVGKSTLLSVISSARPKIGAYHFTTLVPNLGMVTTSDGRSFAAADLPGLIEGASQGVGLGTQFLRHIERTRVILHVIDMSGMEGRDPYEDYLAINKELSTYNLRLLERPQIIVANKMDMPDAQENLVKFKEQLNKEKEDEFADDIPVFPISGVTRQGLDALLNATADLLEVTPEFPLYEEELEERNCTLWIQSRRS



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]
LEU165CD1212[O],
PRO169CD411[P], 3[O],
PRO169CG411[P], 3[O],
SER170OG2811[N], 7[C], 16[O], 4[P],
VAL171CG11116[O], 2[P], 1[N], 2[C],
VAL171CG2711[C], 1[P], 5[O],
LYS173CE917[O], 2[P],
LYS173NZ614[O], 2[P],
LYS173CD712[P], 5[O],
LYS173CG917[O], 2[P],
SER174OG1118[O], 2[P], 1[C],
THR175CG22414[N], 10[C], 1[P], 9[O],
THR175OG134116[O], 4[P], 4[N], 10[C],
VAL179CG2211[N], 1[C],
ASN198ND2111[O],
ASN198CG111[O],
ASP214CG514[O], 1[P],
ASP214OD1511[P], 4[O],
ASP214OD2812[P], 6[O],
PRO216CG111[O],
VAL245CG1611[C], 1[N], 1[P], 3[O],
VAL245CG2111[O],
ASP247OD1111[O],
ASP247CG311[O], 2[C],
ASP247OD2712[N], 4[C], 1[O],
SER249OG811[O], 4[C], 3[N],
MET251CG312[N], 1[C],
ASN284OD11316[C], 5[N], 2[O],
ASN284CG1615[O], 5[N], 6[C],
ASN284ND22312[P], 6[O], 10[C], 5[N],
LYS285NZ30112[O], 3[P], 5[N], 10[C],
LYS285CG1815[N], 10[C], 3[O],
LYS285CE2619[O], 2[P], 5[N], 10[C],
LYS285CD1914[O], 5[N], 10[C],
MET286CG111[O],
ASP287CG1111[O], 5[N], 5[C],
ASP287OD21211[O], 5[N], 6[C],
ASP287OD11211[O], 6[C], 5[N],
MET288CE411[C], 3[N],
MET288SD811[O], 4[C], 3[N],
MET288CG914[C], 4[N], 1[O],
PRO289CD111[N],
ILE319CG1412[C], 1[N], 1[O],
ILE319CD1411[O], 2[C], 1[N],
SER320OG1111[O], 5[N], 5[C],
VAL322CG22111[P], 6[O], 9[C], 5[N],
VAL322CG11412[O], 7[C], 5[N],
THR323OG1512[C], 2[N], 1[O],
THR323CG2511[O], 2[N], 2[C],
Total = 49



Download csv file of statistical distribution of contacts