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: ANP_A_5(1B63) / Model_47(1B63/A) = [9.7] Download849.3617.22MSHIIELPEMLANQIAAGEVIERPASVVKELVENAIDAGSSQIIIEIEEAGLKKVQITDNGHGIAHDEVELALRRHATSKIKNQADLFRIRTLGFRGEALPSIASVSVLTLLTAVDGASHGTKLVARGGEVEEVIPATSPVGTKVCVEDLFFNTPARLKYMKSQQAELSHIIDIVNRLGLAHPEISFSLISDGKEMTRTAGTGQLRQAIAGIYGLVSAKKMIEIENSDLDFEISGFVSLPELTRANRNYISLFINGRYIKNFLLNRAILDGFGSKLMVGRFPLAVIHIHIDPYLADVNVHPTKQEVRISKEKELMTLVSEAIANSLKEQTLIPDALENLAKSTVRNREKVEQTILPLKENTLYYEKTEPSRPSQTEVADYQVELTDEGQDLTLFAKETLDRLTKPAKLHFAERKPANYDQLDHPELDLASIDKAYDKLEREEASSFPELEFFGQMHGTYLFAQGRDGLYIIDQHAAQERVKYEEYRESIGNVDQSQQQLLVPYIFEFPADDALRLKERMPLLEEVGVFLAEYGENQFILREHPIWMAEEEIESGIYEMCDMLLLTKEVSIKKYRAELAIMMSCKRSIKANHRIDDHSARQLLYQLSQCDNPYNCPHGRPVLVHFTKSDMEKMFRRIQENHTSLRELGKY
Complex: ADP_A_3(1B62) / Model_4(1B62/A) = [7.5] Download786.7614.80MSHIIELPEMLANQIAAGEVIERPASVVKELVENAIDAGSSQIIIEIEEAGLKKVQITDNGHGIAHDEVELALRRHATSKIKNQADLFRIRTLGFRGEALPSIASVSVLTLLTAVDGASHGTKLVARGGEVEEVIPATSPVGTKVCVEDLFFNTPARLKYMKSQQAELSHIIDIVNRLGLAHPEISFSLISDGKEMTRTAGTGQLRQAIAGIYGLVSAKKMIEIENSDLDFEISGFVSLPELTRANRNYISLFINGRYIKNFLLNRAILDGFGSKLMVGRFPLAVIHIHIDPYLADVNVHPTKQEVRISKEKELMTLVSEAIANSLKEQTLIPDALENLAKSTVRNREKVEQTILPLKENTLYYEKTEPSRPSQTEVADYQVELTDEGQDLTLFAKETLDRLTKPAKLHFAERKPANYDQLDHPELDLASIDKAYDKLEREEASSFPELEFFGQMHGTYLFAQGRDGLYIIDQHAAQERVKYEEYRESIGNVDQSQQQLLVPYIFEFPADDALRLKERMPLLEEVGVFLAEYGENQFILREHPIWMAEEEIESGIYEMCDMLLLTKEVSIKKYRAELAIMMSCKRSIKANHRIDDHSARQLLYQLSQCDNPYNCPHGRPVLVHFTKSDMEKMFRRIQENHTSLRELGKY
Consensus
[pKd Mean = 8.60]		-818
(s=31)		16
(s=1)		MSHIIELPEMLANQIAAGEVIERPASVVKELVENAIDAGSSQIIIEIEEAGLKKVQITDNGHGIAHDEVELALRRHATSKIKNQADLFRIRTLGFRGEALPSIASVSVLTLLTAVDGASHGTKLVARGGEVEEVIPATSPVGTKVCVEDLFFNTPARLKYMKSQQAELSHIIDIVNRLGLAHPEISFSLISDGKEMTRTAGTGQLRQAIAGIYGLVSAKKMIEIENSDLDFEISGFVSLPELTRANRNYISLFINGRYIKNFLLNRAILDGFGSKLMVGRFPLAVIHIHIDPYLADVNVHPTKQEVRISKEKELMTLVSEAIANSLKEQTLIPDALENLAKSTVRNREKVEQTILPLKENTLYYEKTEPSRPSQTEVADYQVELTDEGQDLTLFAKETLDRLTKPAKLHFAERKPANYDQLDHPELDLASIDKAYDKLEREEASSFPELEFFGQMHGTYLFAQGRDGLYIIDQHAAQERVKYEEYRESIGNVDQSQQQLLVPYIFEFPADDALRLKERMPLLEEVGVFLAEYGENQFILREHPIWMAEEEIESGIYEMCDMLLLTKEVSIKKYRAELAIMMSCKRSIKANHRIDDHSARQLLYQLSQCDNPYNCPHGRPVLVHFTKSDMEKMFRRIQENHTSLRELGKY



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]
VAL20CG2121[O],
LYS29CD121[O],
LYS29NZ321[P], 2[O],
LYS29CE121[O],
GLU30OE2821[N], 1[P], 6[O],
GLU30OE119213[O], 5[P], 1[N],
GLU30CG1023[P], 7[O],
GLU30CD1821[N], 5[P], 12[O],
LEU31CG622[O], 4[N],
LEU31CD21626[O], 4[C], 2[P], 4[N],
LEU31CD1222[N],
GLU33OE1521[P], 4[O],
GLU33CG121[O],
GLU33CD121[O],
ASN34OD158211[N], 5[P], 22[O], 20[C],
ASN34ND258211[N], 5[P], 22[O], 20[C],
ASN34CG58211[N], 5[P], 22[O], 20[C],
ASP37OD1222[O],
ASP37OD238214[C], 14[O], 5[P], 5[N],
ASP37CG1921[N], 2[P], 7[C], 9[O],
SER40OG323[N],
ILE57CG2222[N],
ASP59OD11628[C], 8[N],
ASP59OD220210[N], 10[C],
ASP59CG1628[N], 8[C],
HIS62CE133210[N], 17[C], 6[O],
HIS62CG2022[O], 11[C], 7[N],
HIS62NE233210[N], 17[C], 6[O],
HIS62ND12422[O], 13[C], 9[N],
HIS62CD22328[N], 2[O], 13[C],
ILE64CG13828[O], 20[C], 10[N],
ILE64CG23028[N], 18[C], 4[O],
ILE64CD138210[N], 20[C], 8[O],
GLU68OE2222[O],
GLU68CG222[O],
GLU68OE11322[N], 5[O], 6[C],
GLU68CD422[C], 2[O],
LEU73CD2926[O], 2[C], 1[P],
LEU73CG323[O],
THR78OG140222[O], 10[C], 5[P], 3[N],
THR78CG22921[N], 5[P], 8[C], 15[O],
SER79OG39214[O], 18[C], 2[P], 5[N],
LYS80CE56222[O], 20[C], 5[P], 9[N],
LYS80CG4024[N], 5[P], 12[C], 19[O],
LYS80CD4927[N], 5[P], 22[O], 15[C],
LYS80NZ58222[O], 20[C], 5[P], 11[N],
ILE81CD1521[N], 4[O],
ILE81CG2222[O],
ILE81CG1421[N], 3[O],
ILE90CD1121[O],
THR92OG11121[N], 2[P], 8[O],
THR92CG2222[O],
PHE95CG1321[N], 3[P], 9[O],
PHE95CE1621[N], 1[P], 4[O],
PHE95CE2724[O], 2[P], 1[N],
PHE95CD11121[N], 3[P], 7[O],
PHE95CZ621[N], 1[P], 4[O],
PHE95CD21221[N], 3[P], 8[O],
ARG96CD921[N], 3[P], 5[O],
ARG96CZ624[O], 1[P], 1[N],
ARG96NE621[N], 1[P], 4[O],
ARG96CG14210[O], 3[P], 1[N],
GLU98OE2222[O],
GLU98OE1521[P], 4[O],
GLU98CG1421[N], 5[P], 8[O],
GLU98CD621[P], 5[O],
LEU100CG48218[O], 18[C], 5[P], 7[N],
LEU100CD151210[N], 4[P], 17[O], 20[C],
LEU100CD23826[N], 3[P], 13[O], 16[C],
PRO101CD2624[C], 16[O], 5[P], 1[N],
PRO101CG1522[P], 9[O], 4[C],
SER102OG323[O],
ILE103CG1424[O],
ILE103CD1622[P], 4[O],
LEU111CG23210[N], 2[O], 11[C],
LEU111CD124210[N], 2[O], 12[C],
LEU111CD227214[C], 4[O], 9[N],
THR113CG21426[N], 8[C],
THR113OG118210[N], 8[C],
VAL115CG1222[C],
THR143CG222210[N], 12[C],
THR143OG122212[C], 10[N],
VAL145CG21728[N], 9[C],
VAL145CG1524[N], 1[C],
LYS303NZ121[O],
Total = 85



Download csv file of statistical distribution of contacts