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: ANP_A_5(1B63) / Model_6(1B63/A) = [10.3] Download874.0419.14MTDEKLTQRRIHTLDAALANQIAAGEVIERPSSVVKELLENSIDAGATELIVRIAQGGSTLIEIIDNGHGIHPDDLPLAVMRHATSKIKTAEDLHAIVSLGFRGEALASIAAVSRLTLTSSQDESGIGHQVEVNGTAFDHQQVQAVAAQKGTHIRVQDLFFNVPARRKFLKKPTTEFGHIEEIVRRLALTHFDIRFVLEHNDNIRINLPIADSGELRFQRVQQLLGQQFVQNAYWIDAESINMRLSGWLGHPSDARAQADLQYVYVNGRIVKDKTISHALRMAYDGILHGHQHSSYLLFLEVDPENIDVNVHPTKHEIRFLNQREVHEFVRHYAKETLAQFQTASADLAQAMKVDDTQNLSVQPQPKYQEQFTLHRTAQAADTAVDKPNGYQPSTELLTDFNNSRPQSVHYAEQTPKYNGSAQLNNALKTYLAPLRDQPANFSVDESIEPVPKVDEFPLGIAIAQLHGIYILAQNTEGLIIVDMHAAHERILLKQMKNAWDKPEFWTSQQLLIPKVISISRMQAVRVEDLKPQLERLGLEIDLYGDEQVIVRGVPAILQKADFENLIPELLNDLDPNDEAQGLLQKRDELLAGMACHGAVRAHRQLSLSEMNALLRQMEQTEFASQCNHGRPTWRAFPLSQLDKLFARGE
Complex: ADP_A_3(1B62) / Model_4(1B62/A) = [7.6] Download899.8612.65MTDEKLTQRRIHTLDAALANQIAAGEVIERPSSVVKELLENSIDAGATELIVRIAQGGSTLIEIIDNGHGIHPDDLPLAVMRHATSKIKTAEDLHAIVSLGFRGEALASIAAVSRLTLTSSQDESGIGHQVEVNGTAFDHQQVQAVAAQKGTHIRVQDLFFNVPARRKFLKKPTTEFGHIEEIVRRLALTHFDIRFVLEHNDNIRINLPIADSGELRFQRVQQLLGQQFVQNAYWIDAESINMRLSGWLGHPSDARAQADLQYVYVNGRIVKDKTISHALRMAYDGILHGHQHSSYLLFLEVDPENIDVNVHPTKHEIRFLNQREVHEFVRHYAKETLAQFQTASADLAQAMKVDDTQNLSVQPQPKYQEQFTLHRTAQAADTAVDKPNGYQPSTELLTDFNNSRPQSVHYAEQTPKYNGSAQLNNALKTYLAPLRDQPANFSVDESIEPVPKVDEFPLGIAIAQLHGIYILAQNTEGLIIVDMHAAHERILLKQMKNAWDKPEFWTSQQLLIPKVISISRMQAVRVEDLKPQLERLGLEIDLYGDEQVIVRGVPAILQKADFENLIPELLNDLDPNDEAQGLLQKRDELLAGMACHGAVRAHRQLSLSEMNALLRQMEQTEFASQCNHGRPTWRAFPLSQLDKLFARGE
Consensus
[pKd Mean = 8.95]		-886
(s=12)		15
(s=3)		MTDEKLTQRRIHTLDAALANQIAAGEVIERPSSVVKELLENSIDAGATELIVRIAQGGSTLIEIIDNGHGIHPDDLPLAVMRHATSKIKTAEDLHAIVSLGFRGEALASIAAVSRLTLTSSQDESGIGHQVEVNGTAFDHQQVQAVAAQKGTHIRVQDLFFNVPARRKFLKKPTTEFGHIEEIVRRLALTHFDIRFVLEHNDNIRINLPIADSGELRFQRVQQLLGQQFVQNAYWIDAESINMRLSGWLGHPSDARAQADLQYVYVNGRIVKDKTISHALRMAYDGILHGHQHSSYLLFLEVDPENIDVNVHPTKHEIRFLNQREVHEFVRHYAKETLAQFQTASADLAQAMKVDDTQNLSVQPQPKYQEQFTLHRTAQAADTAVDKPNGYQPSTELLTDFNNSRPQSVHYAEQTPKYNGSAQLNNALKTYLAPLRDQPANFSVDESIEPVPKVDEFPLGIAIAQLHGIYILAQNTEGLIIVDMHAAHERILLKQMKNAWDKPEFWTSQQLLIPKVISISRMQAVRVEDLKPQLERLGLEIDLYGDEQVIVRGVPAILQKADFENLIPELLNDLDPNDEAQGLLQKRDELLAGMACHGAVRAHRQLSLSEMNALLRQMEQTEFASQCNHGRPTWRAFPLSQLDKLFARGE



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]
GLU37OE2121[O],
GLU37O323[O],
GLU37C121[O],
GLU37OE1625[O], 1[P],
GLU37CD221[O], 1[P],
GLU37CB222[O],
GLU37CG121[O],
LEU38O622[C], 4[N],
ASN41ND23924[P], 16[C], 13[O], 6[N],
ASN41CG39216[C], 4[P], 6[N], 13[O],
ASN41O20210[N], 10[C],
ASN41N424[N],
ASN41OD145217[O], 5[N], 5[P], 18[C],
ASN41C20210[C], 10[N],
ASN41CA2024[O], 8[N], 8[C],
ASN41CB2625[O], 10[N], 11[C],
SER42CA1024[C], 6[N],
SER42CB522[C], 3[N],
SER42O624[N], 2[C],
SER42N1024[C], 6[N],
SER42C622[C], 4[N],
SER42OG724[N], 3[C],
ASP44CG222[O],
ASP44OD2422[O], 2[P],
ALA45O422[C], 2[N],
ALA45C422[N], 2[C],
ALA45N824[C], 4[N],
ALA45CB1428[C], 6[N],
ALA45CA1226[N], 6[C],
ASP66CG622[C], 4[N],
ASP66CB222[N],
ASP66OD1824[N], 4[C],
ASP66OD21126[C], 5[N],
GLY68CA321[C], 2[N],
GLY68C321[C], 2[N],
HIS69ND1824[N], 4[C],
HIS69C422[C], 2[N],
HIS69CD2723[C], 4[N],
HIS69CE11428[C], 1[O], 5[N],
HIS69CG624[N], 2[C],
HIS69CA222[C],
HIS69N422[N], 2[C],
HIS69NE21625[N], 2[O], 9[C],
HIS69CB222[C],
GLY70N824[N], 4[C],
GLY70CA824[N], 4[C],
GLY70C1024[N], 6[C],
GLY70O1026[C], 4[N],
ILE71CG128214[C], 10[N], 4[O],
ILE71CA824[N], 4[C],
ILE71CD130216[C], 4[O], 10[N],
ILE71CG21124[N], 3[O], 4[C],
ILE71N824[C], 4[N],
ILE71CB1326[N], 7[C],
LEU78O321[O], 2[C],
ALA79CB2126[O], 2[N], 13[C],
ALA79N422[C], 2[O],
ALA79CA1425[O], 1[N], 8[C],
ALA79C1124[C], 1[P], 6[O],
ALA79O1729[O], 2[P], 6[C],
MET81O222[O],
ALA84O2326[C], 4[P], 1[N], 12[O],
ALA84C1227[O], 1[P], 4[C],
THR85OG12221[N], 11[O], 8[C], 2[P],
THR85CA1921[N], 8[O], 8[C], 2[P],
THR85CB1826[C], 2[P], 1[N], 9[O],
THR85C1226[O], 6[C],
THR85N824[C], 4[O],
THR85CG2822[P], 5[O], 1[N],
THR85O424[O],
SER86C822[C], 6[O],
SER86CB1228[C], 4[O],
SER86O323[O],
SER86OG18210[C], 8[O],
SER86N1426[O], 8[C],
SER86CA1026[O], 4[C],
LYS87CD2322[P], 8[C], 12[O], 1[N],
LYS87CB1021[N], 7[O], 2[P],
LYS87CE3123[N], 14[O], 12[C], 2[P],
LYS87CG1629[O], 1[N], 2[P], 4[C],
LYS87N826[O], 2[C],
LYS87CA424[O],
LYS87NZ4425[N], 18[O], 16[C], 5[P],
LEU100C521[P], 4[O],
LEU100O423[O], 1[P],
GLY101C14210[O], 1[N], 3[P],
GLY101O1123[P], 1[N], 7[O],
GLY101CA1421[N], 10[O], 3[P],
GLY101N1026[O], 1[N], 3[P],
PHE102CB622[P], 3[O], 1[N],
PHE102CE2121[O],
PHE102CG422[O], 1[N], 1[P],
PHE102CE1121[O],
PHE102CD1222[O],
PHE102CZ121[O],
PHE102O923[P], 5[O], 1[N],
PHE102CA1323[P], 9[O], 1[N],
PHE102C1323[P], 1[N], 9[O],
PHE102N1423[P], 1[N], 10[O],
PHE102CD2222[O],
ARG103C1221[N], 8[O], 3[P],
ARG103CG624[O], 1[N], 1[P],
ARG103CD421[P], 3[O],
ARG103NE222[O],
ARG103CB923[P], 1[N], 5[O],
ARG103CA1223[P], 8[O], 1[N],
ARG103CZ222[O],
ARG103O1021[N], 7[O], 2[P],
ARG103N1423[P], 1[N], 10[O],
GLY104CA2824[C], 5[P], 1[N], 18[O],
GLY104C22214[O], 1[N], 5[P], 2[C],
GLY104O1821[N], 10[O], 2[C], 5[P],
GLY104N2322[C], 5[P], 1[N], 15[O],
GLU105CG121[O],
GLU105CA1429[O], 1[N], 4[P],
GLU105N2221[N], 15[O], 1[C], 5[P],
GLU105O622[P], 4[O],
GLU105C14210[O], 1[N], 3[P],
GLU105CB625[O], 1[P],
ALA106N1825[P], 12[O], 1[N],
ALA106C1222[P], 10[O],
ALA106O624[O], 2[P],
ALA106CB2025[P], 1[N], 14[O],
ALA106CA1423[P], 1[N], 10[O],
LEU107CD12722[P], 12[C], 9[O], 4[N],
LEU107O222[O],
LEU107CA826[O], 2[P],
LEU107CB1428[O], 4[C], 2[P],
LEU107C422[O], 2[P],
LEU107CD21222[N], 6[O], 2[C], 2[P],
LEU107CG2224[N], 10[O], 6[C], 2[P],
LEU107N1322[P], 2[C], 9[O],
ALA108N422[P], 2[O],
ALA108CA222[O],
ALA108CB222[O],
LEU118CD1722[N], 5[C],
SER120OG422[N], 2[C],
GLY151C222[N],
THR152CG21628[N], 8[C],
THR152O222[N],
THR152N624[N], 2[C],
THR152CB1628[N], 8[C],
THR152CA624[N], 2[C],
THR152OG11628[C], 8[N],
THR152C222[N],
HIS153N222[N],
ILE154CG1624[N], 2[C],
ILE154CD11026[C], 4[N],
PRO313O121[O],
LYS315CD321[P], 2[O],
LYS315CE521[N], 3[O], 1[P],
LYS315CG121[O],
LYS315NZ521[P], 1[N], 3[O],
Total = 153



Download csv file of statistical distribution of contacts