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: SKM_A_2(3PHH) / Model_62(3PHH/A) = [4.0] Download492.2232.90MKLDGYTRLAAVVANPIKHSISPFIHNRAFEATATNGAYVAWEIEASDLVETVANIRRYQMFGINLSMPYKEQVIPYLDKLSDEARLIGAVNTVVNENGNLIGYNTDGKGFFKCLPSFTISGKKMTLLGAGGAAKSILAQAILDGVSQISVFVRSVSMEKTRPYLDKLQEQTGFKVDLCALEYVSELQARIAESDLLVNATSVGMDGQSSPVPENIVLPETLLVADIIYQPFETPFLKWARSQGNPAVNGLGMLLYQAAEAFQLWTGKEMPTEEIWQSLTEKYQ
Complex: DHK_B_4(3PHJ) / Model_58(3PHJ/B) = [3.8] Download448.4633.42MKLDGYTRLAAVVANPIKHSISPFIHNRAFEATATNGAYVAWEIEASDLVETVANIRRYQMFGINLSMPYKEQVIPYLDKLSDEARLIGAVNTVVNENGNLIGYNTDGKGFFKCLPSFTISGKKMTLLGAGGAAKSILAQAILDGVSQISVFVRSVSMEKTRPYLDKLQEQTGFKVDLCALEYVSELQARIAESDLLVNATSVGMDGQSSPVPENIVLPETLLVADIIYQPFETPFLKWARSQGNPAVNGLGMLLYQAAEAFQLWTGKEMPTEEIWQSLTEKYQ
Consensus
[pKd Mean = 3.90]
-470
(s=21)
33
(s=0)
MKLDGYTRLAAVVANPIKHSISPFIHNRAFEATATNGAYVAWEIEASDLVETVANIRRYQMFGINLSMPYKEQVIPYLDKLSDEARLIGAVNTVVNENGNLIGYNTDGKGFFKCLPSFTISGKKMTLLGAGGAAKSILAQAILDGVSQISVFVRSVSMEKTRPYLDKLQEQTGFKVDLCALEYVSELQARIAESDLLVNATSVGMDGQSSPVPENIVLPETLLVADIIYQPFETPFLKWARSQGNPAVNGLGMLLYQAAEAFQLWTGKEMPTEEIWQSLTEKYQ



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]
VAL12CG224210[O], 14[C],
VAL12CG11626[O], 10[C],
ILE17CG1824[C], 4[O],
ILE17CD114210[C], 4[O],
HIS19CE1522[O], 3[C],
HIS19CG322[O], 1[C],
HIS19CD2522[O], 3[C],
HIS19ND1321[C], 2[O],
HIS19NE2825[C], 3[O],
SER20OG21214[C], 7[O],
ILE21CG11228[C], 4[O],
ILE21CG2622[C], 4[O],
ILE21CD1824[O], 4[C],
SER22OG24210[O], 14[C],
PRO23CG322[O], 1[C],
PRO23CD1024[O], 6[C],
ILE25CD1825[C], 3[O],
ILE25CG1322[O], 1[C],
HIS26CE11127[C], 4[O],
HIS26NE2422[O], 2[C],
HIS26ND1624[O], 2[C],
TYR39CE1622[C], 4[O],
TYR39CE2925[C], 4[O],
TYR39CZ1224[O], 8[C],
TYR39CD2222[O],
ASN65ND22026[O], 14[C],
ASN65CG2127[O], 14[C],
ASN65OD12127[O], 14[C],
LEU66CD2121[O],
LEU66CG422[C], 2[O],
SER67OG24210[O], 14[C],
MET68CG623[O], 3[C],
MET68SD322[C], 1[O],
MET68CE724[C], 3[O],
LYS71CE22214[C], 8[O],
LYS71CD18212[C], 6[O],
LYS71CG1726[O], 11[C],
LYS71NZ2228[O], 14[C],
ASN92CG1826[O], 12[C],
ASN92OD11426[O], 8[C],
ASN92ND219213[C], 6[O],
THR93CG2222[O],
THR93OG11026[C], 4[O],
ASN105CG222[O],
ASN105ND2222[O],
ASN105OD1222[O],
THR106CG2323[O],
THR106OG11228[C], 4[O],
ASP107OD218212[C], 6[O],
ASP107CG1826[O], 12[C],
ASP107OD120214[C], 6[O],
SER136OG222[O],
ILE227CG1322[O], 1[C],
ILE227CD1624[C], 2[O],
ILE227CG2222[O],
TYR229CD119213[C], 6[O],
TYR229CD21026[C], 4[O],
TYR229CE21329[C], 4[O],
TYR229CE12127[O], 14[C],
TYR229CZ2026[O], 14[C],
TYR229CG1224[O], 8[C],
GLN230CG121[O],
GLN230NE2421[C], 3[O],
GLN230CD222[O],
GLN230OE1121[O],
MET253CE1228[C], 4[O],
MET253SD1026[C], 4[O],
MET253CG1026[C], 4[O],
LEU254CD124214[C], 10[O],
LEU254CG23214[C], 9[O],
LEU254CD21624[O], 12[C],
GLN257OE124210[O], 14[C],
GLN257CD24210[O], 14[C],
GLN257CG24214[C], 10[O],
GLN257NE224214[C], 10[O],
TRP265CZ2222[O],
TRP265CE2121[O],
Total = 77



Download csv file of statistical distribution of contacts