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 :C5_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 C5_S1
Complex: TAR_A_7(5AJT) / Model_4(5AJT/A) = [4.1] Download691.62-1.17MNSICIFCGSSLGSNPIFQQIAQLTGEAIAKQGKTLVYGGGRSGLMGVVADSALQAGGQVIGVIPRALVDRELAHPGLTKLYVVENMHERKTKMADLSDGFIALPGGAGTLEEIFEQWIWAQLGIHQKPCAFLNVAGFYEDLLKMIQGTVDNGFSQARFVDKLIASDKIEDILQQFEQYQAPAPKWTNADVQP
Complex: EDO_A_5(2Q4D) / Model_8(2Q4D/A) = [3.6] Download225.5014.82MNSICIFCGSSLGSNPIFQQIAQLTGEAIAKQGKTLVYGGGRSGLMGVVADSALQAGGQVIGVIPRALVDRELAHPGLTKLYVVENMHERKTKMADLSDGFIALPGGAGTLEEIFEQWIWAQLGIHQKPCAFLNVAGFYEDLLKMIQGTVDNGFSQARFVDKLIASDKIEDILQQFEQYQAPAPKWTNADVQP
Complex: SRT_D_13(5AJT) / Model_25(5AJT/D) = [3.5] Download695.554.62MNSICIFCGSSLGSNPIFQQIAQLTGEAIAKQGKTLVYGGGRSGLMGVVADSALQAGGQVIGVIPRALVDRELAHPGLTKLYVVENMHERKTKMADLSDGFIALPGGAGTLEEIFEQWIWAQLGIHQKPCAFLNVAGFYEDLLKMIQGTVDNGFSQARFVDKLIASDKIEDILQQFEQYQAPAPKWTNADVQP
Consensus
[pKd Mean = 3.73]		-537
(s=220)		6
(s=6)		MNSICIFCGSSLGSNPIFQQIAQLTGEAIAKQGKTLVYGGGRSGLMGVVADSALQAGGQVIGVIPRALVDRELAHPGLTKLYVVENMHERKTKMADLSDGFIALPGGAGTLEEIFEQWIWAQLGIHQKPCAFLNVAGFYEDLLKMIQGTVDNGFSQARFVDKLIASDKIEDILQQFEQYQAPAPKWTNADVQP



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]
PHE7O535[O],
PHE7CB333[O],
PHE7CD1131[O],
PHE7C735[O], 2[C],
PHE7CA333[O],
CYS8CB1338[O], 5[C],
CYS8N1637[C], 9[O],
CYS8O24314[O], 10[C],
CYS8CA21310[C], 11[O],
CYS8C24310[C], 14[O],
CYS8SG531[C], 4[O],
GLY9C24310[C], 14[O],
GLY9O24314[O], 10[C],
GLY9N24314[O], 10[C],
GLY9CA24314[O], 10[C],
SER10OG23310[C], 13[O],
SER10C24310[C], 14[O],
SER10CB24310[C], 14[O],
SER10N24314[O], 10[C],
SER10CA24310[C], 14[O],
SER10O20310[C], 10[O],
SER11C1536[C], 9[O],
SER11CB22312[O], 10[C],
SER11O1938[C], 11[O],
SER11N24310[C], 14[O],
SER11CA21311[O], 10[C],
SER11OG24310[C], 14[O],
LEU12N1036[O], 4[C],
LEU12C632[C], 4[O],
LEU12CA735[O], 2[C],
LEU12CG131[O],
LEU12O131[O],
LEU12CB231[C], 1[O],
LEU12CD2131[O],
GLY13CA632[C], 4[O],
GLY13N732[C], 5[O],
SER43C332[O], 1[C],
SER43O531[C], 4[O],
GLY44C332[O], 1[C],
GLY44N331[C], 2[O],
GLY44CA533[O], 2[C],
GLY44O131[O],
LEU45CB533[O], 2[C],
LEU45C231[C], 1[O],
LEU45CD2231[C], 1[O],
LEU45CG732[C], 5[O],
LEU45CA231[C], 1[O],
LEU45N634[O], 2[C],
LEU45CD1634[O], 2[C],
LEU45O131[O],
MET46SD1437[O], 7[C],
MET46CA131[O],
MET46CG937[O], 2[C],
MET46N231[O], 1[C],
MET46CB431[C], 3[O],
MET46CE24310[C], 14[O],
GLU72CD131[C],
GLU72OE2231[O], 1[C],
LEU104O434[O],
LEU104C232[O],
PRO105O19311[O], 8[C],
PRO105CB232[O],
PRO105C1637[C], 9[O],
PRO105N131[O],
PRO105CA531[C], 4[O],
GLY106CA24314[O], 10[C],
GLY106C24314[O], 10[C],
GLY106N22312[O], 10[C],
GLY106O24310[C], 14[O],
GLY107C24310[C], 14[O],
GLY107O24310[C], 14[O],
GLY107CA24314[O], 10[C],
GLY107N24310[C], 14[O],
ALA108CA20311[O], 9[C],
ALA108N24310[C], 14[O],
ALA108O1539[O], 6[C],
ALA108C2039[C], 11[O],
ALA108CB1939[C], 10[O],
GLY109C21311[O], 10[C],
GLY109CA21311[O], 10[C],
GLY109O1336[C], 7[O],
GLY109N24314[O], 10[C],
THR110OG124310[C], 14[O],
THR110CA22310[C], 12[O],
THR110O634[O], 2[C],
THR110C1337[O], 6[C],
THR110N24310[C], 14[O],
THR110CB24310[C], 14[O],
THR110CG224314[O], 10[C],
LEU111CB432[O], 2[C],
LEU111CD1332[O], 1[C],
LEU111N1436[C], 8[O],
LEU111CA533[O], 2[C],
LEU111CD2131[O],
LEU111C131[O],
LEU111CG733[C], 4[O],
GLU112N231[C], 1[O],
GLU113CG131[O],
GLU113OE11036[O], 4[C],
GLU113CD934[C], 5[O],
GLU113OE21034[C], 6[O],
GLU113CB131[O],
PHE138CE2131[O],
PHE138CZ431[C], 3[O],
PHE138CE1131[O],
Total = 105



Download csv file of statistical distribution of contacts