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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: GCP_A_2(2J7K) / Model_6(2J7K/A) = [7.3] Download1223.010.53MARQTPITRYRNIGISAHIDAGKTTTTERILFYTGVSHKIGEVHDGAATMDWMEQEQERGITITSAATTCFWSGMGNQFPQYRINVIDTPGHVDFTIEVERSMRVLDGACMVYCAVGGVQPQSETVWRQANKYKVPRLAFVNKMDRTGANFFRVVEQMKTRLGANPVPIVVPIGAEDTFTGVVDLIEMKAIIWDEASQGMKFEYGEIPADLVDTAQEWRTNMVEAAAEASEELMDKYLEEGDLSKEDIIAGLRARTLASEIQVMLCGSAFKNKGVQRMLDAVIEFLPSPTEVKAIEGILDDKDETKASREASDEAPFSALAFKIMNDKFVGNLTFVRVYSGVLKQGDAVYNPVKSKRERIGRIVQMHANERQDIDEIRAGDIAACVGLKDVTTGDTLCDEKNIITLERMEFPDPVIQLAVEPKTKADQEKMSIALGRLAKEDPSFRVHTDEESGQTIIAGMGELHLDIIVDRMKREFGVEANIGKPMVAYRETIKKTVEQEGKFVRQTGGKGKFGHVYVRLEPLDVEAAGKEYEFAEEVVGGVVPKEFFGAVDKGIQERMKNGVLAGYPVVGVKAVLFDGSYHDVDSDELSFKMAGSYAFRDGFMKADPVLLEPIMKVEVETPEDYMGDIMGDLNRRRGMVQGMDDLPGGTKAIKAEVPLAEMFGYATQMRSMSQGRATYSMEFAKYAETPRNVAEGIIAKFQAGGKKGDDE
Complex: GDP_A_2(2BM1) / Model_9(2BM1/A) = [6.6] Download776.042.69MARQTPITRYRNIGISAHIDAGKTTTTERILFYTGVSHKIGEVHDGAATMDWMEQEQERGITITSAATTCFWSGMGNQFPQYRINVIDTPGHVDFTIEVERSMRVLDGACMVYCAVGGVQPQSETVWRQANKYKVPRLAFVNKMDRTGANFFRVVEQMKTRLGANPVPIVVPIGAEDTFTGVVDLIEMKAIIWDEASQGMKFEYGEIPADLVDTAQEWRTNMVEAAAEASEELMDKYLEEGDLSKEDIIAGLRARTLASEIQVMLCGSAFKNKGVQRMLDAVIEFLPSPTEVKAIEGILDDKDETKASREASDEAPFSALAFKIMNDKFVGNLTFVRVYSGVLKQGDAVYNPVKSKRERIGRIVQMHANERQDIDEIRAGDIAACVGLKDVTTGDTLCDEKNIITLERMEFPDPVIQLAVEPKTKADQEKMSIALGRLAKEDPSFRVHTDEESGQTIIAGMGELHLDIIVDRMKREFGVEANIGKPMVAYRETIKKTVEQEGKFVRQTGGKGKFGHVYVRLEPLDVEAAGKEYEFAEEVVGGVVPKEFFGAVDKGIQERMKNGVLAGYPVVGVKAVLFDGSYHDVDSDELSFKMAGSYAFRDGFMKADPVLLEPIMKVEVETPEDYMGDIMGDLNRRRGMVQGMDDLPGGTKAIKAEVPLAEMFGYATQMRSMSQGRATYSMEFAKYAETPRNVAEGIIAKFQAGGKKGDDE
Consensus
[pKd Mean = 6.95]		-999
(s=223)		1
(s=1)		MARQTPITRYRNIGISAHIDAGKTTTTERILFYTGVSHKIGEVHDGAATMDWMEQEQERGITITSAATTCFWSGMGNQFPQYRINVIDTPGHVDFTIEVERSMRVLDGACMVYCAVGGVQPQSETVWRQANKYKVPRLAFVNKMDRTGANFFRVVEQMKTRLGANPVPIVVPIGAEDTFTGVVDLIEMKAIIWDEASQGMKFEYGEIPADLVDTAQEWRTNMVEAAAEASEELMDKYLEEGDLSKEDIIAGLRARTLASEIQVMLCGSAFKNKGVQRMLDAVIEFLPSPTEVKAIEGILDDKDETKASREASDEAPFSALAFKIMNDKFVGNLTFVRVYSGVLKQGDAVYNPVKSKRERIGRIVQMHANERQDIDEIRAGDIAACVGLKDVTTGDTLCDEKNIITLERMEFPDPVIQLAVEPKTKADQEKMSIALGRLAKEDPSFRVHTDEESGQTIIAGMGELHLDIIVDRMKREFGVEANIGKPMVAYRETIKKTVEQEGKFVRQTGGKGKFGHVYVRLEPLDVEAAGKEYEFAEEVVGGVVPKEFFGAVDKGIQERMKNGVLAGYPVVGVKAVLFDGSYHDVDSDELSFKMAGSYAFRDGFMKADPVLLEPIMKVEVETPEDYMGDIMGDLNRRRGMVQGMDDLPGGTKAIKAEVPLAEMFGYATQMRSMSQGRATYSMEFAKYAETPRNVAEGIIAKFQAGGKKGDDE



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]
ILE15CG2421[P], 3[O],
HIS18ND1121[O],
HIS18CD2222[O],
HIS18CG323[O],
ILE19CD11624[P], 2[C], 10[O],
ILE19CG12125[P], 3[C], 13[O],
ILE19CG21026[O], 1[C], 3[P],
ASP20OD241218[O], 3[N], 15[C], 5[P],
ASP20CG4322[N], 22[O], 5[P], 14[C],
ASP20OD143222[O], 2[N], 5[P], 14[C],
LYS23CG2025[P], 1[C], 14[O],
LYS23CD18213[O], 1[C], 4[P],
LYS23NZ1724[P], 2[C], 11[O],
LYS23CE16211[O], 4[P], 1[C],
THR24OG125216[O], 5[P], 4[C],
THR24CG223215[O], 5[P], 3[C],
THR25CG247217[O], 8[N], 20[C], 2[P],
THR25OG153220[C], 4[P], 8[N], 21[O],
THR26OG12229[O], 4[N], 2[P], 7[C],
THR26CG2222[N],
THR27OG1323[O],
ARG29CG422[N], 1[O], 1[C],
ARG29CD121[N],
THR89CG2121[O],
HIS92CD2222[O],
HIS92CG222[O],
VAL112CG11121[P], 2[C], 6[O], 2[N],
VAL112CG2222[O],
CYS114SG1527[C], 2[O], 6[N],
VAL116CG2723[C], 4[N],
GLN122OE1121[O],
PHE140CE2822[N], 2[O], 4[C],
PHE140CD2321[N], 2[O],
PHE140CZ522[C], 2[O], 1[N],
PHE140CE1121[O],
ASN142OD144210[N], 13[O], 2[P], 19[C],
ASN142CG29212[C], 10[N], 7[O],
ASN142ND22422[O], 10[N], 12[C],
LYS143CG36210[N], 6[O], 20[C],
LYS143CD41220[C], 1[P], 10[O], 10[N],
LYS143CE51220[C], 3[P], 18[O], 10[N],
LYS143NZ52220[C], 4[P], 18[O], 10[N],
MET144CG222[O],
ASP145OD222210[C], 2[O], 10[N],
ASP145OD12422[O], 10[N], 12[C],
ASP145CG21210[N], 2[O], 9[C],
ARG146CD2825[O], 9[N], 14[C],
ARG146CG2028[N], 2[O], 10[C],
ARG146NE2324[O], 8[N], 11[C],
ARG146CZ25213[C], 7[N], 5[O],
THR147CG2121[N],
PHE179CE2222[O],
PHE179CD2121[O],
SER268OG2222[O], 10[N], 10[C],
PHE270CE134210[N], 8[O], 16[C],
PHE270CD229210[N], 5[O], 14[C],
PHE270CE22824[O], 10[N], 14[C],
PHE270CZ29215[C], 10[N], 4[O],
PHE270CD137210[N], 9[O], 18[C],
PHE270CG35217[C], 10[N], 8[O],
LYS271CE1527[C], 2[O], 6[N],
LYS271CD1527[C], 6[N], 2[O],
LYS271NZ1024[C], 5[N], 1[O],
LYS271CG1728[C], 2[O], 7[N],
LYS273CG121[O],
VAL275CG2222[O],
Total = 66



Download csv file of statistical distribution of contacts