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: ANP_A_4(5FTB) / Model_33(5FTB/A) = [8.0] Download1457.2213.92MKQETALKLLKAGENVFLTGSAGAGKTYTLNQYIHYLKARKVPVAITASTGIAATHMNGMTIHTWAGIGIKDHLTDDDLKRMKERKYLKEHLEDAQVLVIDEISMLHAKQLNLVNQVLKYFKESDEAFGGIQVIVAGDFFQLPPVGRNGEANRDKFCFMSDAWVEAKFRVCYLTEQHRQDDEILNQILNAIRAQSIQTEHLQALHQSRTHDIGETFTRLYTHNMDVDNINYQHLNEIDNEGHQFNAVLDGNEKLLETLKSSVRAPEELTLKKHAKVMFVKNNFDMGYINGSLGEVIGFEEDDENGLLPKVKLTDGTTLLVAPETWSIENEAGKVIASFQQIPLRLAWAITIHKSQGMTLEAAEINLMHTFEKGQGYVALSRLKSLTGLKLLGFNEQALELDSLAVKADRRFQKLSKEAEDNFANVDLTAQHKAFIRHCGGTLNETEISRNEKKLARGEKQNYASATLDETRALFEEGYEIEDIAHERGLTPATIINHLARLHKEQKLDISVAHPGEEVVEEVRKIYKKLKKRQNPDHFSDDGSIKLRPIVEATSPRMGYDQVRLALLFIE
Complex: ADP_A_3(5FTE) / Model_5(5FTE/A) = [5.9] Download1272.6014.32MKQETALKLLKAGENVFLTGSAGAGKTYTLNQYIHYLKARKVPVAITASTGIAATHMNGMTIHTWAGIGIKDHLTDDDLKRMKERKYLKEHLEDAQVLVIDEISMLHAKQLNLVNQVLKYFKESDEAFGGIQVIVAGDFFQLPPVGRNGEANRDKFCFMSDAWVEAKFRVCYLTEQHRQDDEILNQILNAIRAQSIQTEHLQALHQSRTHDIGETFTRLYTHNMDVDNINYQHLNEIDNEGHQFNAVLDGNEKLLETLKSSVRAPEELTLKKHAKVMFVKNNFDMGYINGSLGEVIGFEEDDENGLLPKVKLTDGTTLLVAPETWSIENEAGKVIASFQQIPLRLAWAITIHKSQGMTLEAAEINLMHTFEKGQGYVALSRLKSLTGLKLLGFNEQALELDSLAVKADRRFQKLSKEAEDNFANVDLTAQHKAFIRHCGGTLNETEISRNEKKLARGEKQNYASATLDETRALFEEGYEIEDIAHERGLTPATIINHLARLHKEQKLDISVAHPGEEVVEEVRKIYKKLKKRQNPDHFSDDGSIKLRPIVEATSPRMGYDQVRLALLFIE
Consensus
[pKd Mean = 6.95]		-1364
(s=92)		14
(s=0)		MKQETALKLLKAGENVFLTGSAGAGKTYTLNQYIHYLKARKVPVAITASTGIAATHMNGMTIHTWAGIGIKDHLTDDDLKRMKERKYLKEHLEDAQVLVIDEISMLHAKQLNLVNQVLKYFKESDEAFGGIQVIVAGDFFQLPPVGRNGEANRDKFCFMSDAWVEAKFRVCYLTEQHRQDDEILNQILNAIRAQSIQTEHLQALHQSRTHDIGETFTRLYTHNMDVDNINYQHLNEIDNEGHQFNAVLDGNEKLLETLKSSVRAPEELTLKKHAKVMFVKNNFDMGYINGSLGEVIGFEEDDENGLLPKVKLTDGTTLLVAPETWSIENEAGKVIASFQQIPLRLAWAITIHKSQGMTLEAAEINLMHTFEKGQGYVALSRLKSLTGLKLLGFNEQALELDSLAVKADRRFQKLSKEAEDNFANVDLTAQHKAFIRHCGGTLNETEISRNEKKLARGEKQNYASATLDETRALFEEGYEIEDIAHERGLTPATIINHLARLHKEQKLDISVAHPGEEVVEEVRKIYKKLKKRQNPDHFSDDGSIKLRPIVEATSPRMGYDQVRLALLFIE



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]
GLN3CG121[N],
GLN3OE1321[C], 2[N],
GLN3NE2522[C], 3[N],
GLN3CD221[C], 1[N],
GLY20O424[O],
GLY20C222[O],
SER21CA222[O],
SER21C624[O], 2[P],
SER21O1127[O], 3[P], 1[N],
ALA22CA1221[N], 8[O], 3[P],
ALA22O922[P], 6[O], 1[N],
ALA22C1223[P], 8[O], 1[N],
ALA22CB621[N], 2[P], 3[O],
ALA22N622[P], 4[O],
GLY23N20212[O], 5[P], 1[N], 2[C],
GLY23O2729[C], 4[N], 10[O], 4[P],
GLY23CA2825[C], 1[N], 5[P], 17[O],
GLY23C27215[O], 5[P], 2[N], 5[C],
ALA24CB624[O], 2[P],
ALA24O1626[O], 2[P], 4[C], 4[N],
ALA24CA1221[N], 1[C], 3[P], 7[O],
ALA24N21213[O], 5[P], 2[C], 1[N],
ALA24C2524[P], 11[O], 5[C], 5[N],
GLY25O2027[O], 4[P], 5[C], 4[N],
GLY25C2524[P], 13[O], 4[N], 4[C],
GLY25CA3924[P], 15[O], 7[N], 13[C],
GLY25N34210[C], 5[N], 4[P], 15[O],
LYS26CE1329[O], 3[P], 1[N],
LYS26C1329[O], 4[P],
LYS26N2223[N], 2[C], 13[O], 4[P],
LYS26CA1321[N], 4[P], 8[O],
LYS26CD1121[N], 3[P], 7[O],
LYS26CG1421[N], 10[O], 3[P],
LYS26O726[O], 1[P],
LYS26CB15210[O], 4[P], 1[N],
LYS26NZ14210[O], 3[P], 1[N],
THR27C14210[O], 4[P],
THR27CA14210[O], 4[P],
THR27O524[O], 1[P],
THR27CB1824[P], 13[O], 1[N],
THR27OG12025[P], 13[O], 1[C], 1[N],
THR27CG21223[P], 9[O],
THR27N1824[P], 13[O], 1[N],
TYR28CZ823[N], 5[C],
TYR28CE21025[N], 5[C],
TYR28CD21121[O], 5[N], 5[C],
TYR28C221[N], 1[O],
TYR28CG1421[P], 2[O], 7[C], 4[N],
TYR28CA623[O], 1[P], 1[N], 1[C],
TYR28CB1521[P], 4[O], 7[C], 3[N],
TYR28CD11023[N], 6[C], 1[O],
TYR28N922[P], 5[O], 1[C], 1[N],
TYR28CE1724[C], 3[N],
THR29CG21927[N], 7[C], 4[O], 1[P],
THR29OG12029[C], 2[N], 2[P], 7[O],
THR29CA621[P], 3[O], 1[C], 1[N],
THR29N1221[C], 2[N], 2[P], 7[O],
THR29CB1923[N], 8[C], 7[O], 1[P],
THR29C221[O], 1[N],
LEU30N221[O], 1[N],
GLN32OE1121[N],
HIS56CE1421[P], 2[O], 1[C],
HIS56CG121[O],
HIS56ND1121[O],
HIS56NE2721[C], 1[P], 5[O],
HIS56CD2423[O], 1[P],
ASP101OD1121[O],
GLU102CD121[O],
GLU102OE2121[O],
GLU102OE1121[O],
ASP138CG121[O],
ASP138OD2121[O],
ASP138CB121[O],
GLN141OE1524[O], 1[P],
GLN141CD521[P], 4[O],
GLN141CB121[O],
GLN141NE2621[P], 4[O], 1[N],
GLN141CG121[O],
LEU173CD1222[O],
HIS177CA1622[O], 9[C], 5[N],
HIS177ND12522[O], 13[C], 10[N],
HIS177CD22823[O], 15[C], 10[N],
HIS177CG3224[O], 10[N], 18[C],
HIS177N622[O], 1[N], 3[C],
HIS177C1423[O], 10[C], 1[N],
HIS177CE12321[O], 12[C], 10[N],
HIS177CB3427[O], 8[N], 19[C],
HIS177O722[O], 4[C], 1[N],
HIS177NE22221[O], 11[C], 10[N],
ARG178CG824[C], 4[O],
ARG178CD923[C], 1[P], 5[O],
ARG178CA1224[O], 7[C], 1[N],
ARG178CZ2124[P], 13[O], 1[N], 3[C],
ARG178C422[C], 2[O],
ARG178O321[C], 2[O],
ARG178N15210[C], 1[N], 4[O],
ARG178NE1523[P], 6[O], 5[C], 1[N],
ARG178CB1321[P], 5[O], 7[C],
GLN179N121[O],
GLN355CA121[O],
GLN355C322[O], 1[P],
GLN355OE1121[O],
GLN355O121[O],
GLY356O1421[N], 5[P], 8[O],
GLY356C721[N], 5[O], 1[P],
GLY356N521[P], 3[O], 1[N],
GLY356CA1022[P], 7[O], 1[N],
MET357O121[O],
MET357CA121[O],
MET357N321[P], 2[O],
MET357C121[O],
THR358CA121[C],
THR358OG11527[C], 7[O], 1[P],
THR358CB623[O], 3[C],
THR358CG2724[C], 3[O],
SER380OG121[O],
SER380O121[O],
ARG381CZ621[N], 1[P], 4[O],
ARG381NE121[O],
ARG381CD121[O],
LYS383CG121[O],
LYS383CE422[C], 2[O],
LYS383NZ322[O], 1[C],
LYS383CD121[O],
Total = 124



Download csv file of statistical distribution of contacts