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 :C3_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 C3_S1
Complex: FAD_B_8(4L1F) / Model_25(4L1F/B) = [8.9] Download836.7321.42MPIYNAPLADMKFILNDVFKAEQFWQANEKLAHVDAATAEAILEEMAKFAQNVTHPLNRTGDEEGARYENGEVFTPAGFKDAFRQYAEGGWIGLGADEEWGGQGMPKMLTVLADEMLFATNPSFMLYPLLSVGAGMALSSYASQEQKETYLPKIYSGEWSGTMCLTEPHAGTDLGIIKTKAERNEDGTYNITGTKIFITGGDNDLAENIIHLVLAKTPDAPAGSRGISLFIVPKYLVNEDGSLGDRNHVGPGSIEHKMGIKASATCVMNFDGAKGYLVGKENEGLAAMFVMMNYERLSMGIQGLGASEFAYQNAAQYATARLQGRSAAGVQSPSKPADSILVHGDVRRMLLNVRANNEASRAFAVYVGQQLDITKFSTDAEAVKKANDRVALLTPIAKAYLTDTAFQATLDAQMVFGGHGYIREWGMEQCIRDLRIAQIYEGTNGVQSQDLIGRKTIKCGGAFIAEYITEIRDFANDLDTDLNFIKDATLDAATEIEAITQFIIEQAAENVEFPNSAAVDYLHAVGLLSFSYMFAKIAAAAKDKSGDFYQNKLALAQYFVERILPDIDARIAKIKAGSDLIMGFSEDYFTNQA
Complex: FDA_A_3(4N5F) / Model_4(4N5F/A) = [8.9] Download2454.6318.73MPIYNAPLADMKFILNDVFKAEQFWQANEKLAHVDAATAEAILEEMAKFAQNVTHPLNRTGDEEGARYENGEVFTPAGFKDAFRQYAEGGWIGLGADEEWGGQGMPKMLTVLADEMLFATNPSFMLYPLLSVGAGMALSSYASQEQKETYLPKIYSGEWSGTMCLTEPHAGTDLGIIKTKAERNEDGTYNITGTKIFITGGDNDLAENIIHLVLAKTPDAPAGSRGISLFIVPKYLVNEDGSLGDRNHVGPGSIEHKMGIKASATCVMNFDGAKGYLVGKENEGLAAMFVMMNYERLSMGIQGLGASEFAYQNAAQYATARLQGRSAAGVQSPSKPADSILVHGDVRRMLLNVRANNEASRAFAVYVGQQLDITKFSTDAEAVKKANDRVALLTPIAKAYLTDTAFQATLDAQMVFGGHGYIREWGMEQCIRDLRIAQIYEGTNGVQSQDLIGRKTIKCGGAFIAEYITEIRDFANDLDTDLNFIKDATLDAATEIEAITQFIIEQAAENVEFPNSAAVDYLHAVGLLSFSYMFAKIAAAAKDKSGDFYQNKLALAQYFVERILPDIDARIAKIKAGSDLIMGFSEDYFTNQA
Consensus
[pKd Mean = 8.90]		-1645
(s=808)		20
(s=1)		MPIYNAPLADMKFILNDVFKAEQFWQANEKLAHVDAATAEAILEEMAKFAQNVTHPLNRTGDEEGARYENGEVFTPAGFKDAFRQYAEGGWIGLGADEEWGGQGMPKMLTVLADEMLFATNPSFMLYPLLSVGAGMALSSYASQEQKETYLPKIYSGEWSGTMCLTEPHAGTDLGIIKTKAERNEDGTYNITGTKIFITGGDNDLAENIIHLVLAKTPDAPAGSRGISLFIVPKYLVNEDGSLGDRNHVGPGSIEHKMGIKASATCVMNFDGAKGYLVGKENEGLAAMFVMMNYERLSMGIQGLGASEFAYQNAAQYATARLQGRSAAGVQSPSKPADSILVHGDVRRMLLNVRANNEASRAFAVYVGQQLDITKFSTDAEAVKKANDRVALLTPIAKAYLTDTAFQATLDAQMVFGGHGYIREWGMEQCIRDLRIAQIYEGTNGVQSQDLIGRKTIKCGGAFIAEYITEIRDFANDLDTDLNFIKDATLDAATEIEAITQFIIEQAAENVEFPNSAAVDYLHAVGLLSFSYMFAKIAAAAKDKSGDFYQNKLALAQYFVERILPDIDARIAKIKAGSDLIMGFSEDYFTNQA



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]
THR120O121[O],
THR120CB521[O], 2[C], 2[N],
THR120CA221[O], 1[C],
THR120N121[O],
THR120OG1724[C], 1[O], 2[N],
THR120CG2622[N], 3[C], 1[O],
THR120C121[O],
PHE124CD1623[C], 1[O], 2[N],
PHE124CD2922[O], 4[C], 3[N],
PHE124CG723[C], 2[O], 2[N],
PHE124CE1821[O], 5[C], 2[N],
PHE124CA121[O],
PHE124CZ1123[O], 5[C], 3[N],
PHE124CE21224[N], 5[C], 3[O],
PHE124CB621[N], 2[O], 3[C],
PRO128CB724[C], 1[O], 2[N],
PRO128CD221[O], 1[N],
PRO128N121[O],
PRO128CG722[N], 4[C], 1[O],
PRO128CA321[C], 1[O], 1[N],
PRO128C121[O],
PRO128O121[O],
VAL132CG2722[N], 3[C], 2[O],
VAL132CG1221[N], 1[O],
VAL132CB321[C], 1[O], 1[N],
GLY161C121[O],
GLY161O222[O],
THR162OG11627[C], 4[O], 5[N],
THR162CA622[O], 2[C], 2[N],
THR162N222[O],
THR162CG2522[N], 1[C], 2[O],
THR162CB622[N], 2[C], 2[O],
THR162O622[N], 2[O], 2[C],
THR162C1024[C], 4[O], 2[N],
MET163CB1826[N], 8[C], 4[O],
MET163O2628[N], 14[C], 4[O],
MET163CE1826[N], 5[O], 7[C],
MET163N1828[C], 4[O], 6[N],
MET163SD1524[N], 4[O], 7[C],
MET163C1826[N], 8[C], 4[O],
MET163CG1624[O], 8[C], 4[N],
MET163CA1724[O], 8[C], 5[N],
CYS164CB1224[O], 4[C], 4[N],
CYS164SG1124[O], 4[C], 3[N],
CYS164CA1628[C], 4[O], 4[N],
CYS164O1024[C], 2[O], 4[N],
CYS164C1624[N], 4[O], 8[C],
CYS164N1624[N], 8[C], 4[O],
LEU165CD1723[N], 2[O], 2[C],
LEU165N2026[N], 10[C], 4[O],
LEU165O1124[N], 2[O], 5[C],
LEU165CD21626[O], 6[C], 4[N],
LEU165CA1825[N], 4[O], 9[C],
LEU165C2024[O], 10[C], 6[N],
LEU165CB2125[N], 10[C], 6[O],
LEU165CG1424[O], 6[C], 4[N],
THR166N32216[C], 8[O], 8[N],
THR166CB5228[N], 26[C], 16[O], 2[P],
THR166CA43219[C], 2[P], 15[O], 7[N],
THR166C2828[O], 14[C], 6[N],
THR166O19211[C], 2[O], 6[N],
THR166CG256226[C], 18[O], 4[P], 8[N],
THR166OG15428[N], 28[C], 16[O], 2[P],
GLU167N2025[O], 2[P], 9[C], 4[N],
GLU167C825[O], 2[P], 1[C],
GLU167CG121[O],
GLU167CA822[C], 4[O], 2[N],
GLU167O2124[C], 3[P], 14[O],
PRO168C725[O], 2[P],
PRO168O16212[O], 4[P],
PRO168CB121[O],
PRO168N222[O],
PRO168CA322[O], 1[P],
HIS169N222[O],
HIS169O1128[O], 3[P],
HIS169CA424[O],
HIS169C1224[P], 8[O],
ALA170CA1524[P], 11[O],
ALA170CB323[O],
ALA170N1424[P], 10[O],
ALA170C3224[P], 18[O], 10[C],
ALA170O3923[N], 12[C], 4[P], 20[O],
GLY171CA4524[N], 16[C], 4[P], 21[O],
GLY171N36212[C], 20[O], 4[P],
GLY171C47215[C], 21[O], 4[P], 7[N],
GLY171O44213[C], 22[O], 4[P], 5[N],
THR172CG258210[N], 24[C], 4[P], 20[O],
THR172O2825[N], 10[C], 3[P], 10[O],
THR172CA6024[P], 24[O], 26[C], 6[N],
THR172CB67210[N], 26[O], 4[P], 27[C],
THR172OG168210[N], 28[C], 26[O], 4[P],
THR172C4326[N], 16[O], 4[P], 17[C],
THR172N5824[N], 24[O], 4[P], 26[C],
ASP173N3726[N], 13[C], 4[P], 14[O],
ASP173OD21024[C], 1[P], 2[O], 3[N],
ASP173C827[O], 1[N],
ASP173CB1624[N], 6[O], 2[P], 4[C],
ASP173O323[O],
ASP173OD11124[N], 4[C], 2[O], 1[P],
ASP173CG1224[C], 3[O], 1[P], 4[N],
ASP173CA2024[N], 10[O], 2[P], 4[C],
LEU174CB424[O],
LEU174CG2322[N], 10[O], 11[C],
LEU174CA222[O],
LEU174N626[O],
LEU174CD11827[O], 9[C], 2[N],
LEU174CD236214[O], 2[P], 14[C], 6[N],
LYS195CD824[N], 2[O], 2[C],
LYS195C824[N], 2[O], 2[C],
LYS195NZ222[O],
LYS195CE222[O],
LYS195CG722[O], 2[C], 3[N],
LYS195CA521[N], 2[C], 2[O],
LYS195CB924[N], 2[O], 3[C],
ILE196C4428[N], 28[C], 8[O],
ILE196CD11322[N], 4[O], 1[P], 6[C],
ILE196N1926[N], 2[O], 11[C],
ILE196CA25216[C], 2[O], 7[N],
ILE196CG216210[C], 3[O], 1[P], 2[N],
ILE196CB2225[N], 4[O], 13[C],
ILE196O46210[O], 28[C], 8[N],
ILE196CG11622[N], 6[O], 1[P], 7[C],
PHE197N4428[N], 30[C], 6[O],
PHE197CD26128[N], 34[C], 17[O], 2[P],
PHE197CA4628[N], 30[C], 8[O],
PHE197CG6028[N], 34[C], 16[O], 2[P],
PHE197O4628[O], 30[C], 8[N],
PHE197CB5728[N], 2[P], 14[O], 33[C],
PHE197CD14528[O], 2[P], 29[C], 6[N],
PHE197CZ4524[N], 28[C], 2[P], 11[O],
PHE197CE257216[O], 4[P], 31[C], 6[N],
PHE197CE14025[N], 26[C], 2[P], 7[O],
PHE197C4628[O], 30[C], 8[N],
ILE198C3528[N], 23[C], 4[O],
ILE198CB2728[N], 15[C], 4[O],
ILE198O3027[N], 3[O], 20[C],
ILE198CG12528[N], 4[O], 13[C],
ILE198CG22327[N], 12[C], 4[O],
ILE198N3928[N], 27[C], 4[O],
ILE198CA3628[N], 24[C], 4[O],
ILE198CD13028[N], 5[O], 17[C],
THR199OG13928[N], 27[C], 4[O],
THR199CA33222[C], 3[O], 8[N],
THR199CG22324[N], 17[C], 2[O],
THR199N3628[N], 4[O], 24[C],
THR199CB34222[C], 4[O], 8[N],
THR199O2025[N], 3[O], 12[C],
THR199C2124[N], 2[O], 15[C],
GLY200N1428[C], 2[O], 4[N],
GLY200C222[O],
GLY200CA321[C], 2[O],
GLY201CA222[O],
GLY201N421[N], 1[C], 2[O],
ASN208ND2222[O],
LEU212O522[N], 1[C], 2[O],
LEU214CB121[O],
LEU214CD1121[O],
LEU214CG121[O],
GLU255CA121[C],
GLU255CB929[C],
GLU255O121[C],
GLU255OE1121[C],
GLU255CD424[C],
GLU255CG12212[C],
GLU255OE2222[C],
LYS257CE10210[C],
LYS257CB828[C],
LYS257CD16216[C],
LYS257NZ1321[N], 12[C],
LYS257CA424[C],
LYS257CG11211[C],
GLY259C222[C],
GLY259O424[C],
ILE260CG2727[C],
ILE260N222[C],
ILE260CA222[C],
ILE260CD118216[C], 2[N],
ILE260CB727[C],
ILE260C222[C],
ILE260CG110210[C],
ILE260O323[C],
SER263OG1028[C], 2[N],
SER263CB626[C],
SER263CA121[C],
SER263C323[C],
SER263O424[C],
ALA264O14210[C], 2[O], 2[N],
ALA264N121[C],
ALA264C921[N], 7[C], 1[O],
THR265OG12622[O], 21[C], 3[N],
THR265CB2822[O], 22[C], 4[N],
THR265CG23522[O], 25[C], 8[N],
THR265O727[C],
THR265C1322[N], 11[C],
THR265N928[C], 1[N],
THR265CA24220[C], 2[O], 2[N],
CYS266O1324[N], 7[C], 2[O],
CYS266N1622[O], 12[C], 2[N],
MET288SD222[O],
MET288CE121[O],
MET288CG121[O],
MET292CG322[O], 1[C],
MET292SD1223[N], 4[O], 5[C],
MET292CE1423[O], 8[C], 3[N],
GLU295OE1924[C], 3[O], 2[N],
MET299SD322[C], 1[N],
MET299CE622[N], 1[O], 3[C],
ILE436CD134226[C], 4[O], 4[N],
ILE436O1921[O], 18[C],
ILE436CG210210[C],
ILE436CB15215[C],
ILE436CG12424[N], 18[C], 2[O],
ILE436C10210[C],
ILE436CA10210[C],
ILE436N323[C],
ALA437N121[C],
GLN438C623[C], 3[O],
GLN438O1224[O], 8[C],
ILE439N1826[O], 12[C],
ILE439CB4722[N], 27[C], 2[P], 16[O],
ILE439CG129218[C], 11[O],
ILE439CD120214[C], 6[O],
ILE439O54219[O], 2[P], 29[C], 4[N],
ILE439C4723[N], 28[C], 2[P], 14[O],
ILE439CG26122[N], 4[P], 21[O], 34[C],
ILE439CA39223[C], 16[O],
TYR440CE23324[O], 25[C], 4[N],
TYR440CD24428[N], 30[C], 6[O],
TYR440CG4427[N], 30[C], 7[O],
TYR440C4527[O], 31[C], 7[N],
TYR440O3126[O], 22[C], 3[N],
TYR440CA51211[O], 33[C], 7[N],
TYR440CE120217[C], 3[N],
TYR440CB5228[N], 34[C], 10[O],
TYR440CD13324[N], 26[C], 3[O],
TYR440N4424[N], 10[O], 30[C],
TYR440CZ21218[C], 3[N],
GLU441OE11626[N], 3[O], 7[C],
GLU441CD1225[C], 3[O], 4[N],
GLU441OE21423[O], 7[C], 4[N],
GLU441O824[O], 4[C],
GLU441CG1824[N], 4[O], 10[C],
GLU441C2324[N], 14[C], 5[O],
GLU441CB2326[N], 13[C], 4[O],
GLU441N4728[O], 32[C], 7[N],
GLU441CA3627[N], 22[C], 7[O],
GLY442CA2021[N], 10[O], 9[C],
GLY442C21210[O], 11[C],
GLY442O1527[O], 8[C],
GLY442N2923[N], 18[C], 8[O],
THR443OG15629[N], 4[P], 17[O], 26[C],
THR443N3721[N], 2[P], 19[O], 15[C],
THR443CG262226[O], 4[P], 26[C], 6[N],
THR443C17210[C], 6[O], 1[N],
THR443CA37217[C], 18[O], 2[N],
THR443O1621[N], 6[O], 9[C],
THR443CB5726[N], 4[P], 22[O], 25[C],
ASN444CA723[C], 4[O],
ASN444C1422[N], 4[O], 8[C],
ASN444O422[O], 1[C], 1[N],
ASN444CB423[O], 1[C],
ASN444CG121[O],
ASN444N1127[C], 4[O],
GLY445O25210[N], 2[O], 13[C],
GLY445CA3326[O], 17[C], 10[N],
GLY445C30210[N], 4[O], 16[C],
GLY445N2726[N], 6[O], 15[C],
VAL446CG246210[N], 14[O], 2[P], 20[C],
VAL446CB32218[C], 4[O], 10[N],
VAL446CG1424[O],
VAL446C421[N], 2[O], 1[C],
VAL446CA2622[O], 14[C], 10[N],
VAL446N30216[C], 4[O], 10[N],
GLN447N121[O],
Total = 274



Download csv file of statistical distribution of contacts