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 :C4_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 C4_S1
Complex: P1T_A_3(3PC3) / Model_145(3PC3/A) = [8.3] Download573.4614.91MIISTITEAIGSTPLYRFDNQHYSMPKGSAIYAKLEYLNPGGSIKDRLGSYLIKEGFAQGKINEKTTIIEPTAGNTGIGIALAALTYKLRTVFVVPEKFSLEKQQLMKALGAKIIHSPSEQGIIGAISKSKKLAEEISNSYLPLQFENKDNPAAYYHTLGPEIFHEIKENIHSFVAGIGSGGTFAGTSTFLKEKYPDIRIIGVEPEGSVLNGGDPAPHEIEGIGVEFIPPFLSPLSINQIETISDVEGFNYTRQLAREQGLLVGSSSGAAFAAALREIRRLPPGHRVVTIFPDAADRYLSKNIYL
Complex: AWH_A_3(3ZEI) / Model_16(3ZEI/A) = [5.9] Download1682.3914.52MIISTITEAIGSTPLYRFDNQHYSMPKGSAIYAKLEYLNPGGSIKDRLGSYLIKEGFAQGKINEKTTIIEPTAGNTGIGIALAALTYKLRTVFVVPEKFSLEKQQLMKALGAKIIHSPSEQGIIGAISKSKKLAEEISNSYLPLQFENKDNPAAYYHTLGPEIFHEIKENIHSFVAGIGSGGTFAGTSTFLKEKYPDIRIIGVEPEGSVLNGGDPAPHEIEGIGVEFIPPFLSPLSINQIETISDVEGFNYTRQLAREQGLLVGSSSGAAFAAALREIRRLPPGHRVVTIFPDAADRYLSKNIYL
Complex: PLP_A_3(4L0D) / Model_8(4L0D/A) = [3.5] Download475.7413.63MIISTITEAIGSTPLYRFDNQHYSMPKGSAIYAKLEYLNPGGSIKDRLGSYLIKEGFAQGKINEKTTIIEPTAGNTGIGIALAALTYKLRTVFVVPEKFSLEKQQLMKALGAKIIHSPSEQGIIGAISKSKKLAEEISNSYLPLQFENKDNPAAYYHTLGPEIFHEIKENIHSFVAGIGSGGTFAGTSTFLKEKYPDIRIIGVEPEGSVLNGGDPAPHEIEGIGVEFIPPFLSPLSINQIETISDVEGFNYTRQLAREQGLLVGSSSGAAFAAALREIRRLPPGHRVVTIFPDAADRYLSKNIYL
Consensus
[pKd Mean = 5.90]		-910
(s=547)		14
(s=0)		MIISTITEAIGSTPLYRFDNQHYSMPKGSAIYAKLEYLNPGGSIKDRLGSYLIKEGFAQGKINEKTTIIEPTAGNTGIGIALAALTYKLRTVFVVPEKFSLEKQQLMKALGAKIIHSPSEQGIIGAISKSKKLAEEISNSYLPLQFENKDNPAAYYHTLGPEIFHEIKENIHSFVAGIGSGGTFAGTSTFLKEKYPDIRIIGVEPEGSVLNGGDPAPHEIEGIGVEFIPPFLSPLSINQIETISDVEGFNYTRQLAREQGLLVGSSSGAAFAAALREIRRLPPGHRVVTIFPDAADRYLSKNIYL



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]
SER43OG1933[O], 2[N], 14[C],
ILE44CG12739[O], 2[P], 2[N], 14[C],
ILE44CD127314[C], 2[P], 9[O], 2[N],
ILE44CG235311[O], 2[P], 3[N], 19[C],
LYS45CD41323[C], 2[P], 13[O], 3[N],
LYS45NZ44314[O], 2[P], 3[N], 25[C],
LYS45CG4033[N], 2[P], 12[O], 23[C],
LYS45CE45314[O], 2[P], 3[N], 26[C],
LEU48CD12038[C], 1[N], 9[O], 2[P],
LEU48CD2433[O], 1[P],
LEU48CG832[P], 6[O],
GLU70CG634[O], 2[C],
GLU70OE2833[O], 5[C],
GLU70CD432[O], 2[C],
PRO71CG932[O], 7[C],
PRO71CD431[O], 3[C],
THR72CG21034[O], 6[C],
THR72OG12236[O], 1[N], 15[C],
ASN75CG2633[N], 5[O], 18[C],
ASN75OD122315[C], 4[O], 3[N],
ASN75ND22833[N], 6[O], 19[C],
THR76OG135312[O], 1[N], 2[P], 20[C],
THR76CG21438[C], 1[N], 5[O],
ILE78CG1131[O],
ILE78CD1131[O],
ILE80CD1232[O],
PHE93CZ432[O], 2[C],
PHE93CD1332[O], 1[C],
PHE93CE1432[C], 2[O],
PHE93CE2331[C], 2[O],
PHE93CG131[O],
VAL95CG1331[C], 2[O],
VAL95CG2131[O],
PRO96CD232[O],
LYS98NZ331[N], 1[O], 1[C],
PHE99CE1633[C], 3[O],
PHE99CD1332[O], 1[C],
PHE99CG331[C], 2[O],
PHE99CE217311[C], 1[N], 5[O],
PHE99CD2934[O], 1[N], 4[C],
PHE99CZ1336[C], 1[N], 6[O],
LYS103NZ1933[N], 4[O], 12[C],
LYS103CE1434[O], 1[N], 9[C],
LYS103CD633[O], 3[C],
LYS103CG232[O],
ILE123CG124317[C], 2[N], 4[O], 1[S],
ILE123CG22531[S], 17[C], 5[O], 2[N],
ILE123CD12234[O], 2[N], 15[C], 1[S],
ILE124CD1934[O], 5[C],
ILE124CG11434[O], 10[C],
ILE124CG2431[O], 3[C],
ILE127CG21031[O], 9[C],
ILE127CG11431[S], 11[C], 2[O],
ILE127CD119312[C], 1[N], 5[O], 1[S],
LEU144CD2232[C],
GLN145CD2838[O], 1[P], 2[N], 16[C], 1[S],
GLN145CG2236[O], 1[N], 14[C], 1[S],
GLN145NE230319[C], 1[P], 7[O], 2[N], 1[S],
GLN145OE13631[S], 2[P], 1[N], 13[O], 19[C],
PHE146CE231321[C], 2[N], 7[O], 1[S],
PHE146CD22831[S], 2[N], 6[O], 19[C],
PHE146CD12531[S], 18[C], 4[O], 2[N],
PHE146CZ3237[O], 2[N], 22[C], 1[S],
PHE146CE12935[O], 2[N], 21[C], 1[S],
PHE146CG2331[S], 18[C], 3[O], 1[N],
GLU147CG131[C],
GLU147CD232[C],
GLU147OE1333[C],
GLU147OE2232[C],
ASN151OD11232[C], 2[P], 8[O],
ASN151ND21534[C], 2[P], 9[O],
ASN151CG1138[O], 2[P], 1[C],
PRO152CD131[O],
TYR155CE11338[O], 2[P], 3[C],
TYR155CZ1838[O], 2[P], 8[C],
TYR155CD11038[O], 2[P],
TYR155CG937[O], 2[P],
TYR155CD2932[P], 7[O],
TYR155CE21338[O], 2[P], 3[C],
LEU159CD2232[O],
ILE178CG11434[C], 2[P], 8[O],
ILE178CG21538[O], 2[P], 5[C],
ILE178CD1532[P], 3[O],
SER180OG29315[C], 1[N], 2[P], 11[O],
THR183CG21638[O], 2[P], 6[C],
THR183OG125312[C], 2[P], 8[O], 3[N],
PHE184CG333[O],
PHE184CD2131[O],
PHE184CD1131[O],
SER208OG431[N], 1[O], 2[C],
LEU210CG131[O],
LEU210CD1431[C], 1[P], 2[O],
PRO215CD131[O],
PRO215CG331[C], 2[O],
HIS218CE1835[C], 1[O], 2[N],
HIS218NE21031[S], 2[N], 1[O], 6[C],
HIS218CD2633[C], 1[O], 2[N],
HIS218ND1332[N], 1[C],
HIS218CG331[C], 2[N],
ILE220CG2937[C], 2[N],
GLU221OE1231[C], 1[O],
GLU221CG1533[O], 1[N], 11[C],
GLU221CD1232[O], 1[N], 9[C],
GLU221OE21138[C], 1[N], 2[O],
ILE223CG235320[C], 2[P], 10[O], 3[N],
ILE223CG12332[N], 3[O], 18[C],
ILE223CD115313[C], 2[N],
VAL225CG129319[C], 2[N], 7[O], 1[S],
VAL225CG22631[S], 2[N], 4[O], 19[C],
GLU226OE11831[S], 11[C], 4[O], 2[N],
GLU226CG1631[S], 2[N], 3[O], 10[C],
GLU226OE21531[S], 9[C], 3[O], 2[N],
GLU226CD17311[C], 3[O], 2[N], 1[S],
PHE227CZ2331[S], 2[N], 4[O], 16[C],
PHE227CG1831[N], 4[O], 12[C], 1[S],
PHE227CE124317[C], 4[O], 2[N], 1[S],
PHE227CD12232[N], 4[O], 15[C], 1[S],
PHE227CD21531[S], 3[O], 11[C],
PHE227CE21631[S], 12[C], 3[O],
PRO229CG534[O], 1[C],
PRO230CD331[O], 2[C],
PRO230CG131[O],
PHE231CD2832[P], 6[O],
PHE231CG832[P], 6[O],
PHE231CE2936[O], 2[P], 1[C],
PHE231CD1932[P], 7[O],
PHE231CE11333[C], 2[P], 8[O],
PHE231CZ1535[C], 2[P], 8[O],
LEU232CD1232[O],
LEU232CG131[O],
LEU232CD2131[O],
SER265OG932[N], 1[O], 6[C],
SER266OG25316[C], 1[P], 3[N], 5[O],
SER267OG832[N], 6[C],
ILE290CG21136[C], 1[N], 4[O],
PRO292CG29316[C], 2[P], 3[N], 8[O],
PRO292CD20314[C], 4[O], 2[N],
ASP293OD22033[N], 3[O], 14[C],
ASP293CG19314[C], 2[O], 3[N],
ASP293OD116312[C], 2[O], 2[N],
ARG297CD631[N], 2[O], 3[C],
ARG297NE932[N], 2[O], 5[C],
ARG297CG332[C], 1[O],
ARG297CZ533[C], 2[O],
TYR298CD2232[C],
TYR298CE1831[N], 2[O], 5[C],
TYR298CE2735[C], 1[O], 1[N],
TYR298CD1232[C],
TYR298CZ1036[C], 2[O], 2[N],
TYR298CG232[C],
Total = 150



Download csv file of statistical distribution of contacts