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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: ANP_A_3(4D25) / Model_118(4D25/A) = [8.2] Download931.8717.57MSFTKFQFKNYIREALKELKFTTPTEVQDKLIPIVLAGRDLVGESKTGSGKTHTFLLPIFQQLDEASDSVQAVITAPSRELATQIYQVARQISAHSDVEVRVVNYVGGTDKARQIEKLESNQPHIVIGTPGRIYDLVKSGDLAIHKAKTFVVDEADMTLDMGFLETVDKIAGSLPKDLQFMVFSATIPQKLQPFLKKYLSNPVMEKIKTKTVISDTIDNWLISTKGHDKNAQIYQLTQLMQPYLAMIFVNTKTRADELHSYLTAQGLKVAKIHGDIAPRERKRIMNQVQNLDFEYIVATDLAARGIDIEGVSHVINDAIPQDLSFFVHRVGRTGRNGLPGTAITLYQPSDDSDIRELEKLGIKFSPKMVKDGEFQDTYDRDRRANREKKQDKLDIEMIGLVKKKKKKVKPGYKKKIQWAVDEKRRKTKRAENRARGRAERKAKRQTF
Complex: ADP_B_5(4PX9) / Model_66(4PX9/B) = [5.4] Download1273.2627.91MSFTKFQFKNYIREALKELKFTTPTEVQDKLIPIVLAGRDLVGESKTGSGKTHTFLLPIFQQLDEASDSVQAVITAPSRELATQIYQVARQISAHSDVEVRVVNYVGGTDKARQIEKLESNQPHIVIGTPGRIYDLVKSGDLAIHKAKTFVVDEADMTLDMGFLETVDKIAGSLPKDLQFMVFSATIPQKLQPFLKKYLSNPVMEKIKTKTVISDTIDNWLISTKGHDKNAQIYQLTQLMQPYLAMIFVNTKTRADELHSYLTAQGLKVAKIHGDIAPRERKRIMNQVQNLDFEYIVATDLAARGIDIEGVSHVINDAIPQDLSFFVHRVGRTGRNGLPGTAITLYQPSDDSDIRELEKLGIKFSPKMVKDGEFQDTYDRDRRANREKKQDKLDIEMIGLVKKKKKKVKPGYKKKIQWAVDEKRRKTKRAENRARGRAERKAKRQTF
Complex: AMP_A_3(3BER) / Model_54(3BER/A) = [5.0] Download1054.2129.20MSFTKFQFKNYIREALKELKFTTPTEVQDKLIPIVLAGRDLVGESKTGSGKTHTFLLPIFQQLDEASDSVQAVITAPSRELATQIYQVARQISAHSDVEVRVVNYVGGTDKARQIEKLESNQPHIVIGTPGRIYDLVKSGDLAIHKAKTFVVDEADMTLDMGFLETVDKIAGSLPKDLQFMVFSATIPQKLQPFLKKYLSNPVMEKIKTKTVISDTIDNWLISTKGHDKNAQIYQLTQLMQPYLAMIFVNTKTRADELHSYLTAQGLKVAKIHGDIAPRERKRIMNQVQNLDFEYIVATDLAARGIDIEGVSHVINDAIPQDLSFFVHRVGRTGRNGLPGTAITLYQPSDDSDIRELEKLGIKFSPKMVKDGEFQDTYDRDRRANREKKQDKLDIEMIGLVKKKKKKVKPGYKKKIQWAVDEKRRKTKRAENRARGRAERKAKRQTF
Consensus
[pKd Mean = 6.20]		-1086
(s=141)		24
(s=5)		MSFTKFQFKNYIREALKELKFTTPTEVQDKLIPIVLAGRDLVGESKTGSGKTHTFLLPIFQQLDEASDSVQAVITAPSRELATQIYQVARQISAHSDVEVRVVNYVGGTDKARQIEKLESNQPHIVIGTPGRIYDLVKSGDLAIHKAKTFVVDEADMTLDMGFLETVDKIAGSLPKDLQFMVFSATIPQKLQPFLKKYLSNPVMEKIKTKTVISDTIDNWLISTKGHDKNAQIYQLTQLMQPYLAMIFVNTKTRADELHSYLTAQGLKVAKIHGDIAPRERKRIMNQVQNLDFEYIVATDLAARGIDIEGVSHVINDAIPQDLSFFVHRVGRTGRNGLPGTAITLYQPSDDSDIRELEKLGIKFSPKMVKDGEFQDTYDRDRRANREKKQDKLDIEMIGLVKKKKKKVKPGYKKKIQWAVDEKRRKTKRAENRARGRAERKAKRQTF



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]
PHE3CD11235[C], 7[N],
PHE3CZ29315[C], 14[N],
PHE3CD21537[C], 8[N],
PHE3CE11839[N], 9[C],
PHE3CE227313[N], 14[C],
PHE3CG734[N], 3[C],
PHE6CE2232[N],
LEU16CD1231[N], 1[C],
LEU16CD21839[N], 9[C],
LEU16CG634[N], 2[C],
LEU19CG1332[N], 3[O], 8[C],
LEU19CD21733[N], 4[O], 10[C],
LEU19CD11333[O], 3[N], 7[C],
LYS20CG432[C], 2[N],
LYS20CD432[C], 1[N], 1[O],
PHE21CE260330[C], 1[P], 15[N], 14[O],
PHE21CG47325[C], 7[O], 15[N],
PHE21CZ63330[C], 16[O], 15[N], 2[P],
PHE21CE157312[O], 15[N], 30[C],
PHE21CD24938[O], 15[N], 26[C],
PHE21CD152327[C], 10[O], 15[N],
THR22CG2734[C], 3[N],
THR22OG11536[C], 9[N],
THR23CG2836[N], 2[C],
THR23OG11437[N], 7[C],
PRO24CG833[C], 5[N],
PRO24CD933[C], 6[N],
THR25CG254327[C], 1[P], 15[N], 11[O],
THR25OG146318[C], 1[P], 15[N], 12[O],
VAL27CG1835[O], 1[N], 2[P],
VAL27CG2433[O], 1[P],
GLN28CD4631[P], 15[N], 10[O], 20[C],
GLN28CG28312[C], 4[O], 12[N],
GLN28OE137318[C], 4[O], 15[N],
GLN28NE266316[O], 15[N], 5[P], 30[C],
ILE32CD1333[N],
SER45OG1533[P], 1[N], 11[O],
LYS46CD131[O],
LYS46CG432[O], 1[N], 1[P],
THR47OG12735[P], 1[N], 16[O], 5[C],
THR47CG22031[C], 14[O], 1[N], 4[P],
SER49OG29319[O], 1[N], 6[P], 3[C],
LYS51NZ2731[C], 19[O], 1[N], 6[P],
LYS51CD2436[P], 1[N], 17[O],
LYS51CE27319[O], 1[N], 6[P], 1[C],
LYS51CG2831[C], 6[P], 1[N], 20[O],
THR52OG15336[P], 4[N], 27[O], 16[C],
THR52CG23335[P], 19[O], 9[C],
HIS53NE264329[C], 3[P], 15[N], 17[O],
HIS53CE169321[O], 15[N], 3[P], 30[C],
HIS53CD259328[C], 2[P], 15[N], 14[O],
HIS53CG66319[O], 15[N], 3[P], 29[C],
HIS53ND17235[P], 15[N], 22[O], 30[C],
THR54CG21433[N], 6[O], 2[P], 3[C],
THR54OG11634[P], 2[N], 8[O], 2[C],
PHE55CE1232[O],
PHE55CD2434[O],
PHE55CE21033[P], 7[O],
PHE55CZ731[P], 6[O],
LEU56CD1131[O],
LEU57CD1935[C], 4[N],
LEU81CD11835[P], 1[N], 12[O],
LEU81CD2937[O], 2[P],
LEU81CG836[O], 2[P],
GLN84CG1132[C], 6[O], 3[P],
GLN84OE115310[O], 3[P], 2[C],
GLN84CD2133[C], 3[P], 15[O],
GLN84NE22035[P], 10[O], 1[N], 4[C],
ILE85CD1535[O],
ILE85CG1938[O], 1[P],
GLN87CD131[O],
GLN87OE1231[O], 1[P],
GLN87NE2131[O],
GLN87CG131[O],
VAL88CG227316[O], 1[N], 2[P], 8[C],
VAL88CG11636[O], 1[N], 2[P], 7[C],
GLN91CG1737[O], 2[N], 1[P], 7[C],
GLN91CD2239[O], 3[N], 1[P], 9[C],
GLN91OE12539[O], 3[N], 1[P], 12[C],
GLN91NE22139[C], 1[P], 2[N], 9[O],
ASP153CG1333[P], 9[O], 1[N],
ASP153OD120314[O], 1[N], 5[P],
ASP153OD223316[O], 1[N], 6[P],
GLU154OE1635[O], 1[P],
GLU154CG932[P], 7[O],
GLU154CD1233[P], 1[N], 8[O],
GLU154OE216311[O], 1[N], 4[P],
PHE183CD1332[O], 1[P],
PHE183CG434[O],
PHE183CD2232[O],
PHE183CZ131[O],
PHE183CE1131[O],
SER184OG331[P], 2[O],
ARG304CG431[P], 3[O],
ARG304CD131[O],
ILE306CG1131[O],
ASP307CG2132[N], 10[O], 3[P], 6[C],
ASP307OD21732[P], 2[N], 7[O], 6[C],
ASP307OD12233[P], 11[O], 2[N], 6[C],
VAL327CG1131[O],
HIS328CE1533[O], 1[N], 1[P],
HIS328CD2331[P], 2[O],
HIS328ND1531[P], 1[N], 3[O],
HIS328CG431[P], 3[O],
HIS328NE2431[P], 3[O],
ARG332CG131[O],
ARG332CD533[O], 1[N], 1[P],
ARG332CZ936[O], 1[N], 2[P],
ARG332NE533[O], 1[N], 1[P],
ARG335NE2035[C], 3[P], 1[N], 11[O],
ARG335CD1633[C], 9[O], 1[N], 3[P],
ARG335CZ2031[N], 11[O], 3[P], 5[C],
ARG335CG1533[C], 8[O], 1[N], 3[P],
ASN336CG19310[C], 4[O], 5[N],
ASN336OD12035[O], 5[N], 10[C],
ASN336ND219310[C], 5[N], 4[O],
Total = 116



Download csv file of statistical distribution of contacts