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 :C2_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 C2_S1
Complex: NACID_F_4(5A0T) / Model_27(5A0T/B) = [13.4] Download--MPAQNLRAVSLLANLSKKIAQSTISSISNSCLTNCSITKKKLAPSKLRSSNMAYTLKPEEVGVFAIGGLGEIGKNTYGIEYQDEIIIVDAGIKFPEDDLLGIDYVIPDYSYIVDNIDRVKAVLITHGHEDHIGGIPFLLKQANVPIYAGPLALALIRGKLEEHGLLRNAKLYEINHNTELTFKNLKATFFRTTHSIPEPLGIVIHTPQGKIVCTGDFKFDFTPVGEPADLHRMAALGEEGVLCLLSDSTNAEVPTFTNSEKVVGQSIMKIIQGIEGRIIFASFASNIFRLQQATEAAVKTGRKIAVFGRSMEKAIVNGIDLGYIKAPKGTFIEPNEIKDYPAGEVLILCTGSQGEPMAALSRIANGTHRQVQLQPGDTVIFSSSPIPGNTTSVNKLINIISEAGVEVIHGKVNNIHTSGHGGQQEQKLMLRLIKPKYFMPVHGEYRMQKVHAGLAVDTGVEKDNIFIMSNGDVLALTADSARIAGHFNAQDIYVDGNRIGEIGAAVLKDRRDLSEDGVVLAVATVDFKSQMILSGPDILSRGFVYMRESGDLIRQSQRILFNAIRIALKNKDASVQSVNGAIVNAIRPFLYENTEREPIIIPMILTPDEE
Complex: U5P_A_5(3BK2) / Model_143(3BK2/A) = [4.8] Download793.500.71MPAQNLRAVSLLANLSKKIAQSTISSISNSCLTNCSITKKKLAPSKLRSSNMAYTLKPEEVGVFAIGGLGEIGKNTYGIEYQDEIIIVDAGIKFPEDDLLGIDYVIPDYSYIVDNIDRVKAVLITHGHEDHIGGIPFLLKQANVPIYAGPLALALIRGKLEEHGLLRNAKLYEINHNTELTFKNLKATFFRTTHSIPEPLGIVIHTPQGKIVCTGDFKFDFTPVGEPADLHRMAALGEEGVLCLLSDSTNAEVPTFTNSEKVVGQSIMKIIQGIEGRIIFASFASNIFRLQQATEAAVKTGRKIAVFGRSMEKAIVNGIDLGYIKAPKGTFIEPNEIKDYPAGEVLILCTGSQGEPMAALSRIANGTHRQVQLQPGDTVIFSSSPIPGNTTSVNKLINIISEAGVEVIHGKVNNIHTSGHGGQQEQKLMLRLIKPKYFMPVHGEYRMQKVHAGLAVDTGVEKDNIFIMSNGDVLALTADSARIAGHFNAQDIYVDGNRIGEIGAAVLKDRRDLSEDGVVLAVATVDFKSQMILSGPDILSRGFVYMRESGDLIRQSQRILFNAIRIALKNKDASVQSVNGAIVNAIRPFLYENTEREPIIIPMILTPDEE
Consensus
[pKd Mean = 9.10]		-793
(s=0)		0
(s=0)		MPAQNLRAVSLLANLSKKIAQSTISSISNSCLTNCSITKKKLAPSKLRSSNMAYTLKPEEVGVFAIGGLGEIGKNTYGIEYQDEIIIVDAGIKFPEDDLLGIDYVIPDYSYIVDNIDRVKAVLITHGHEDHIGGIPFLLKQANVPIYAGPLALALIRGKLEEHGLLRNAKLYEINHNTELTFKNLKATFFRTTHSIPEPLGIVIHTPQGKIVCTGDFKFDFTPVGEPADLHRMAALGEEGVLCLLSDSTNAEVPTFTNSEKVVGQSIMKIIQGIEGRIIFASFASNIFRLQQATEAAVKTGRKIAVFGRSMEKAIVNGIDLGYIKAPKGTFIEPNEIKDYPAGEVLILCTGSQGEPMAALSRIANGTHRQVQLQPGDTVIFSSSPIPGNTTSVNKLINIISEAGVEVIHGKVNNIHTSGHGGQQEQKLMLRLIKPKYFMPVHGEYRMQKVHAGLAVDTGVEKDNIFIMSNGDVLALTADSARIAGHFNAQDIYVDGNRIGEIGAAVLKDRRDLSEDGVVLAVATVDFKSQMILSGPDILSRGFVYMRESGDLIRQSQRILFNAIRIALKNKDASVQSVNGAIVNAIRPFLYENTEREPIIIPMILTPDEE



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]
ILE72CD131211[O], 1[P], 14[C], 5[N],
ILE72CG24627[N], 2[P], 22[C], 15[O],
ILE72CG130215[C], 5[N], 10[O],
ASN75OD1222[O],
ASN75ND2925[O], 1[N], 1[P], 2[C],
ASN75CG222[O],
ILE92CG2423[C], 1[N],
ILE92CD12025[O], 5[N], 10[C],
ILE92CG11524[O], 7[C], 4[N],
LYS93CD121[O],
LYS93CG723[C], 2[N], 2[O],
LYS93CE222[O],
PHE94CE254227[C], 1[P], 10[N], 16[O],
PHE94CD248213[O], 1[P], 24[C], 10[N],
PHE94CE149212[N], 24[C], 1[P], 12[O],
PHE94CG4029[O], 21[C], 10[N],
PHE94CZ5621[P], 27[C], 13[N], 15[O],
PHE94CD14129[O], 21[C], 11[N],
PRO95CD823[C], 3[N], 2[O],
GLU96CG121[O],
ASP103CG221[C], 1[N],
ASP103OD1421[O], 2[N], 1[C],
ASP103OD2121[N],
TYR104CD11124[N], 6[C], 1[O],
TYR104CD21522[O], 5[N], 8[C],
TYR104CE21829[C], 6[N], 3[O],
TYR104CG1025[N], 5[C],
TYR104CE11627[N], 7[C], 2[O],
TYR104CZ2427[N], 12[C], 5[O],
HIS126NE21326[O], 1[P], 6[C],
HIS126CG521[P], 4[O],
HIS126CD21125[C], 1[P], 5[O],
HIS126CE1521[C], 1[P], 3[O],
HIS126ND1423[O], 1[P],
HIS128CE137216[O], 3[P], 15[C], 3[N],
HIS128ND137217[O], 15[C], 2[P], 3[N],
HIS128NE232214[O], 3[N], 2[P], 13[C],
HIS128CD230212[O], 2[P], 13[C], 3[N],
HIS128CG3123[N], 14[C], 2[P], 12[O],
GLU129OE13621[P], 18[C], 7[N], 10[O],
GLU129CD42212[O], 20[C], 2[P], 8[N],
GLU129CG4722[P], 22[C], 9[N], 14[O],
GLU129OE243212[O], 2[P], 21[C], 8[N],
ASP130CG4222[P], 20[C], 5[N], 15[O],
ASP130OD146217[O], 5[N], 22[C], 2[P],
ASP130OD24225[N], 1[P], 21[C], 15[O],
HIS131CD21921[N], 8[C], 1[P], 9[O],
HIS131NE21426[O], 1[N], 1[P], 6[C],
HIS131ND1221[P], 1[O],
HIS131CE1421[P], 3[O],
HIS131CG621[P], 1[C], 4[O],
ILE132CD1321[P], 2[O],
ILE132CG1321[P], 2[O],
ILE132CG2121[O],
LEU155CD1322[O], 1[P],
LYS159CD221[N], 1[O],
LYS159CE721[N], 4[C], 2[O],
LYS159CG321[C], 1[N], 1[O],
LYS159NZ1722[O], 10[C], 5[N],
GLU162CG623[C], 2[N], 1[O],
GLU162CD1224[N], 6[C], 2[O],
GLU162OE21322[O], 4[N], 7[C],
GLU162OE11224[N], 6[C], 2[O],
HIS194CE12623[P], 11[C], 12[O],
HIS194NE226211[O], 11[C], 3[P], 1[N],
HIS194ND11328[O], 2[C], 3[P],
HIS194CG721[P], 1[C], 5[O],
HIS194CD21124[C], 1[P], 6[O],
SER195OG32216[O], 3[P], 12[C], 1[N],
ILE196CG2621[P], 2[C], 3[O],
ILE196CG1322[O], 1[P],
ILE196CD1523[O], 1[C], 1[P],
ASP216CG925[O], 3[C], 1[P],
ASP216OD227211[O], 1[P], 13[C], 2[N],
ASP216OD1825[O], 2[C], 1[P],
LYS218NZ222[O],
LYS218CD222[O],
LYS218CE222[O],
ASP247OD2621[P], 2[C], 3[O],
ASP247CG421[C], 3[O],
ASP247OD1623[O], 2[C], 1[P],
THR249CG236214[C], 3[P], 3[N], 16[O],
THR249OG133214[O], 3[P], 13[C], 3[N],
ASN250ND21422[P], 4[C], 8[O],
ASN250OD11922[N], 6[C], 2[P], 9[O],
ASN250CG1525[C], 2[P], 8[O],
GLU252OE1121[N],
VAL253CG2121[O],
THR257OG1222[O],
THR257CG2322[O], 1[P],
SER282OG121[O],
PHE283CD164229[C], 3[P], 8[N], 24[O],
PHE283CD255222[O], 4[P], 24[C], 5[N],
PHE283CE169226[O], 8[N], 31[C], 4[P],
PHE283CG5025[N], 2[P], 24[C], 19[O],
PHE283CZ72230[C], 5[P], 8[N], 29[O],
PHE283CE262223[O], 7[N], 28[C], 4[P],
SER285OG29212[C], 2[P], 2[N], 13[O],
ASN286ND22522[N], 10[C], 2[P], 11[O],
ASN286OD127211[O], 11[C], 3[P], 2[N],
ASN286CG1929[O], 2[N], 6[C], 2[P],
ARG289CZ323[O],
ARG309CG32214[C], 2[P], 4[N], 12[O],
ARG309CZ2329[O], 1[P], 9[C], 4[N],
ARG309CD34215[C], 2[P], 5[N], 12[O],
ARG309NE27211[C], 2[P], 4[N], 10[O],
SER310OG55219[O], 2[P], 27[C], 7[N],
MET311CG423[O], 1[P],
MET311CE725[O], 1[P], 1[C],
MET311SD321[P], 2[O],
GLU312CG222[O],
GLU312CD121[O],
GLU312OE1321[P], 2[O],
GLU312OE2121[O],
LYS313CG121[O],
LYS313NZ522[C], 2[N], 1[O],
LYS313CD322[C], 1[O],
LYS313CE221[O], 1[C],
CYS349SG121[O],
THR350OG126213[O], 1[N], 10[C], 2[P],
THR350CG22821[N], 13[C], 2[P], 12[O],
SER352OG1024[O], 1[P], 3[C], 2[N],
GLN353NE21929[C], 4[N], 6[O],
GLN353OE11828[C], 5[N], 5[O],
GLN353CD2226[O], 11[C], 5[N],
GLN353CG3126[N], 1[P], 14[C], 10[O],
GLU355OE247222[C], 2[P], 7[N], 16[O],
GLU355CG37218[C], 2[P], 6[N], 11[O],
GLU355CD3726[N], 2[P], 16[C], 13[O],
GLU355OE13527[N], 14[C], 2[P], 12[O],
PRO356CD1026[C], 4[O],
PRO356CG222[O],
MET357CE322[C], 1[O],
MET357CG1721[N], 8[C], 8[O],
MET357SD1126[O], 5[C],
ARG362NE925[O], 1[P], 3[C],
ARG362CD1026[O], 3[C], 1[P],
ARG362CZ722[C], 1[P], 4[O],
HIS368CD2121[O],
HIS368NE2222[O],
SER383OG622[O], 4[C],
SER384OG45221[C], 3[P], 4[N], 17[O],
PRO385CD1327[O], 1[P], 5[C],
PRO385CG523[O], 2[C],
ILE386CG158219[O], 2[P], 27[C], 10[N],
ILE386CG24521[P], 22[C], 10[N], 12[O],
ILE386CD16529[N], 2[P], 31[C], 23[O],
PRO387CD3726[N], 1[P], 18[C], 12[O],
PRO387CG25213[C], 4[N], 8[O],
ASN389CG1022[O], 4[C], 4[N],
ASN389OD1921[O], 4[C], 4[N],
ASN389ND22027[O], 8[C], 5[N],
THR390OG1121[O],
HIS416CD21529[O], 2[P], 4[C],
HIS416NE223212[O], 9[C], 2[P],
HIS416ND11128[O], 1[C], 2[P],
HIS416CE121210[O], 9[C], 2[P],
HIS416CG1128[O], 1[C], 2[P],
THR417OG1525[O],
THR417CG2222[O],
SER418OG2521[N], 2[P], 10[C], 12[O],
HIS420CE137215[O], 2[N], 17[C], 3[P],
HIS420CG31215[O], 12[C], 3[P], 1[N],
HIS420CD24122[N], 3[P], 19[C], 17[O],
HIS420NE248219[O], 22[C], 3[P], 4[N],
HIS420ND128214[O], 1[N], 10[C], 3[P],
HIS442CD21021[P], 3[C], 6[O],
HIS442CE140220[C], 2[P], 5[N], 13[O],
HIS442NE230210[O], 1[P], 15[C], 4[N],
HIS442CG925[O], 3[C], 1[P],
HIS442ND125210[O], 1[P], 11[C], 3[N],
GLU444OE1621[O], 2[N], 3[C],
GLU444OE2922[O], 4[C], 3[N],
GLU444CD821[O], 3[N], 4[C],
GLU444CG621[O], 2[N], 3[C],
ARG446CG121[N],
ARG446CZ422[N], 2[C],
ARG446CD121[N],
ARG446NE422[C], 2[N],
MET447SD1322[O], 8[C], 3[N],
MET447CE1725[O], 9[C], 3[N],
MET447CG723[N], 4[C],
ASP495OD2121[N],
Total = 183



Download csv file of statistical distribution of contacts