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 :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: GCP_B_6(1RJ9) / Model_82(1RJ9/B) = [9.4] Download1071.705.80MGLFDRLFGKKEEPKIEEVVKEALENLDLSEDVDPTFTEVEEVSQEEAEVEIVEQAVFQEEEIQDTVEESLDLEPVVEVSQKEVEEFPHSEEGNTEFLETIEENNSEVLEPERPQAEETVQEKYDRSLKKTRTGFGARLNAFFANFRSVDEEFFEELEELLIMSDVGVQVASNLTEELRYEAKLENAKKPDALRRVIIEKLVELYEKDGSYDESIHFQDNLTVMLFVGVNGVGKTTSIGKLAHRYKQAGKKVMLVAADTFRAGAVAQLAEWGRRVDVPVVTGPEKADPASVVFDGMERAVAEGIDILMIDTAGRLQNKDNLMAELEKIGRIIKRVVPEAPHETFLALDASTGQNALVQAKEFSKITPLTGIVLTKIDGTARGGVVLAIREELNIPVKLIGFGEKIDDIGEFNSENFMKGLLEGLI
Complex: GNP_A_12(2J7P) / Model_58(2J7P/A) = [9.3] Download1118.374.33MGLFDRLFGKKEEPKIEEVVKEALENLDLSEDVDPTFTEVEEVSQEEAEVEIVEQAVFQEEEIQDTVEESLDLEPVVEVSQKEVEEFPHSEEGNTEFLETIEENNSEVLEPERPQAEETVQEKYDRSLKKTRTGFGARLNAFFANFRSVDEEFFEELEELLIMSDVGVQVASNLTEELRYEAKLENAKKPDALRRVIIEKLVELYEKDGSYDESIHFQDNLTVMLFVGVNGVGKTTSIGKLAHRYKQAGKKVMLVAADTFRAGAVAQLAEWGRRVDVPVVTGPEKADPASVVFDGMERAVAEGIDILMIDTAGRLQNKDNLMAELEKIGRIIKRVVPEAPHETFLALDASTGQNALVQAKEFSKITPLTGIVLTKIDGTARGGVVLAIREELNIPVKLIGFGEKIDDIGEFNSENFMKGLLEGLI
Complex: GDP_B_6(5L3V) / Model_42(5L3V/B) = [8.5] Download897.392.86MGLFDRLFGKKEEPKIEEVVKEALENLDLSEDVDPTFTEVEEVSQEEAEVEIVEQAVFQEEEIQDTVEESLDLEPVVEVSQKEVEEFPHSEEGNTEFLETIEENNSEVLEPERPQAEETVQEKYDRSLKKTRTGFGARLNAFFANFRSVDEEFFEELEELLIMSDVGVQVASNLTEELRYEAKLENAKKPDALRRVIIEKLVELYEKDGSYDESIHFQDNLTVMLFVGVNGVGKTTSIGKLAHRYKQAGKKVMLVAADTFRAGAVAQLAEWGRRVDVPVVTGPEKADPASVVFDGMERAVAEGIDILMIDTAGRLQNKDNLMAELEKIGRIIKRVVPEAPHETFLALDASTGQNALVQAKEFSKITPLTGIVLTKIDGTARGGVVLAIREELNIPVKLIGFGEKIDDIGEFNSENFMKGLLEGLI
Complex: CIT_B_4(1VMA) / Model_23(1VMA/B) = [3.8] Download451.909.53MGLFDRLFGKKEEPKIEEVVKEALENLDLSEDVDPTFTEVEEVSQEEAEVEIVEQAVFQEEEIQDTVEESLDLEPVVEVSQKEVEEFPHSEEGNTEFLETIEENNSEVLEPERPQAEETVQEKYDRSLKKTRTGFGARLNAFFANFRSVDEEFFEELEELLIMSDVGVQVASNLTEELRYEAKLENAKKPDALRRVIIEKLVELYEKDGSYDESIHFQDNLTVMLFVGVNGVGKTTSIGKLAHRYKQAGKKVMLVAADTFRAGAVAQLAEWGRRVDVPVVTGPEKADPASVVFDGMERAVAEGIDILMIDTAGRLQNKDNLMAELEKIGRIIKRVVPEAPHETFLALDASTGQNALVQAKEFSKITPLTGIVLTKIDGTARGGVVLAIREELNIPVKLIGFGEKIDDIGEFNSENFMKGLLEGLI
Consensus
[pKd Mean = 7.75]		-884
(s=263)		5
(s=2)		MGLFDRLFGKKEEPKIEEVVKEALENLDLSEDVDPTFTEVEEVSQEEAEVEIVEQAVFQEEEIQDTVEESLDLEPVVEVSQKEVEEFPHSEEGNTEFLETIEENNSEVLEPERPQAEETVQEKYDRSLKKTRTGFGARLNAFFANFRSVDEEFFEELEELLIMSDVGVQVASNLTEELRYEAKLENAKKPDALRRVIIEKLVELYEKDGSYDESIHFQDNLTVMLFVGVNGVGKTTSIGKLAHRYKQAGKKVMLVAADTFRAGAVAQLAEWGRRVDVPVVTGPEKADPASVVFDGMERAVAEGIDILMIDTAGRLQNKDNLMAELEKIGRIIKRVVPEAPHETFLALDASTGQNALVQAKEFSKITPLTGIVLTKIDGTARGGVVLAIREELNIPVKLIGFGEKIDDIGEFNSENFMKGLLEGLI



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]
PHE226CZ643[O], 3[C],
PHE226CE2844[C], 4[O],
PHE226CD2542[C], 3[O],
PHE226CG141[O],
PHE226CE1141[O],
VAL229CG2242[O],
VAL229CG1841[C], 1[P], 6[O],
ASN230CG33421[O], 1[N], 6[C], 5[P],
ASN230OD138424[O], 1[N], 7[C], 6[P],
ASN230ND22841[N], 6[C], 5[P], 16[O],
VAL232CG25048[P], 11[C], 1[N], 30[O],
VAL232CG127416[O], 5[P], 5[C], 1[N],
LYS234NZ41427[O], 1[N], 5[C], 8[P],
LYS234CE4241[N], 7[C], 8[P], 26[O],
LYS234CD39424[O], 7[P], 7[C], 1[N],
LYS234CG4541[N], 7[C], 8[P], 29[O],
THR235OG151432[O], 1[N], 10[C], 8[P],
THR235CG24448[P], 8[C], 1[N], 27[O],
THR236CG28343[P], 36[C], 13[N], 31[O],
THR236OG193437[O], 6[P], 37[C], 13[N],
SER237OG4346[P], 14[C], 5[N], 18[O],
ILE238CD1242[O],
ILE238CG1941[C], 8[O],
LYS240CE44421[C], 15[N], 8[O],
LYS240CG16410[C], 3[N], 3[O],
LYS240NZ4649[O], 22[C], 15[N],
LYS240CD2943[O], 11[N], 15[C],
ASP258CG2341[N], 3[C], 5[P], 14[O],
ASP258OD23045[P], 5[C], 1[N], 19[O],
ASP258OD12142[C], 4[P], 15[O],
ARG261CG2646[P], 2[C], 1[N], 17[O],
ARG261CZ5841[N], 16[C], 8[P], 33[O],
ARG261CD4141[N], 5[C], 8[P], 27[O],
ARG261NE47429[O], 8[P], 9[C], 1[N],
GLN267NE275438[O], 4[N], 25[C], 8[P],
GLN267CD6248[P], 19[C], 1[N], 34[O],
GLN267CG37421[O], 5[P], 11[C],
GLN267OE161434[O], 8[P], 18[C], 1[N],
LEU268CD1343[O],
TRP271CE3242[O],
TRP271CZ3543[O], 2[C],
TRP271CD2842[C], 6[O],
TRP271NE126416[O], 3[P], 7[C],
TRP271CZ23944[N], 15[C], 3[P], 17[O],
TRP271CD11441[C], 3[P], 10[O],
TRP271CE227416[O], 8[C], 3[P],
TRP271CG444[O],
ASP310CG31420[O], 7[P], 3[C], 1[N],
ASP310OD137423[O], 7[P], 6[C], 1[N],
ASP310OD23941[N], 6[C], 8[P], 24[O],
THR311OG1343[O],
ASP348OD22145[O], 13[C], 3[N],
ASP348OD12645[O], 7[N], 14[C],
ASP348CG19411[C], 5[N], 3[O],
VAL372CG1542[N], 3[O],
THR374CG249419[C], 12[N], 18[O],
THR374OG156414[N], 25[C], 17[O],
LYS375CD64430[C], 15[N], 19[O],
LYS375CE80427[O], 5[P], 33[C], 15[N],
LYS375NZ87431[O], 16[N], 34[C], 6[P],
LYS375CG61430[C], 15[N], 16[O],
ILE376CG21143[O], 4[C], 4[N],
ILE376CD1341[O], 1[C], 1[N],
ILE376CG1542[O], 1[N], 2[C],
ASP377OD232415[N], 14[C], 3[O],
ASP377OD135415[N], 17[C], 3[O],
ASP377CG3043[O], 15[N], 12[C],
ILE399CG2242[O],
PHE401CE1343[O],
PHE401CD1843[O], 2[N], 3[C],
PHE401CD2641[C], 2[N], 3[O],
PHE401CG943[O], 3[C], 3[N],
PHE401CE2141[O],
GLU403CD45413[N], 23[C], 9[O],
GLU403CG53425[C], 15[N], 13[O],
GLU403OE13949[O], 12[N], 18[C],
GLU403OE24149[O], 13[N], 19[C],
ASP407CG2243[O], 10[C], 9[N],
ASP407OD23044[O], 13[C], 13[N],
ASP407OD11242[O], 5[C], 5[N],
Total = 80



Download csv file of statistical distribution of contacts