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 :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: 129_C_3(1IF2) / Model_153(1IF2/A) = [4.3] Download305.6213.07MSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGLCQLTPAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK
Complex: G3P_B_5(3UWU) / Model_110(3UWU/B) = [4.2] Download224.3613.07MSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGLCQLTPAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK
Complex: PGH_B_4(1TPW) / Model_100(1TPW/B) = [4.0] Download300.8813.07MSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGLCQLTPAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK
Complex: PGA_D_4(1SW3) / Model_102(1SW3/B) = [3.9] Download285.0613.43MSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGLCQLTPAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK
Complex: UVW_A_4(4MVA) / Model_150(4MVA/A) = [3.7] Download599.4414.94MSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGLCQLTPAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK
Consensus
[pKd Mean = 4.02]		-343
(s=131)		13
(s=0)		MSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGLCQLTPAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK



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]
ASN13CA1081[N], 3[C], 6[O],
ASN13CB23811[O], 10[C], 2[N],
ASN13OD11086[O], 1[N], 3[C],
ASN13O1084[C], 1[N], 5[O],
ASN13ND22982[N], 12[C], 15[O],
ASN13N885[O], 1[N], 2[C],
ASN13C684[O], 1[C], 1[N],
ASN13CG21812[O], 2[N], 7[C],
LYS15CB282[O],
LYS15CD42827[O], 1[P], 2[N], 12[C],
LYS15CG2186[C], 2[N], 1[P], 12[O],
LYS15CE62834[O], 2[N], 7[P], 19[C],
LYS15NZ77821[C], 8[P], 2[N], 46[O],
LEU103CD1282[O],
LEU103CG282[O],
LEU103CD2583[O], 1[N], 1[C],
HIS106CG2187[C], 2[N], 12[O],
HIS106NE23682[N], 16[C], 18[O],
HIS106ND12182[N], 7[C], 12[O],
HIS106CB282[O],
HIS106CE132815[O], 2[N], 15[C],
HIS106CD224813[O], 9[C], 2[N],
SER107OG282[O],
GLU108CD981[C], 8[O],
GLU108OE22581[N], 1[P], 7[C], 16[O],
GLU108CG181[O],
GLU108OE1887[O], 1[C],
CYS137SG282[O],
GLU179OE236817[O], 2[N], 1[P], 16[C],
GLU179CG2489[O], 2[N], 13[C],
GLU179OE13182[N], 1[P], 14[C], 14[O],
GLU179CB21811[C], 1[N], 9[O],
GLU179CD32815[C], 2[N], 15[O],
GLU179CA181[O],
ALA183C1386[P], 1[C], 6[O],
ALA183CA585[O],
ALA183O33821[O], 6[C], 6[P],
ILE184C3788[C], 6[P], 23[O],
ILE184CG25782[N], 6[P], 18[C], 31[O],
ILE184CD136818[O], 2[N], 1[P], 15[C],
ILE184CB4686[P], 1[N], 16[C], 23[O],
ILE184O21814[O], 1[C], 6[P],
ILE184N2285[C], 6[P], 11[O],
ILE184CA48826[O], 1[N], 6[P], 15[C],
ILE184CG14781[N], 6[P], 17[C], 23[O],
GLY185C18812[O], 6[P],
GLY185CA3081[C], 6[P], 23[O],
GLY185O11811[O],
GLY185N42827[O], 9[C], 6[P],
THR186N11811[O],
GLY187N383[O],
TYR220O181[O],
TYR220C181[O],
GLY221CA2588[O], 2[N], 15[C],
GLY221N382[C], 1[O],
GLY221C43823[O], 17[C], 1[P], 2[N],
GLY221O2086[O], 14[C],
GLY222C45826[O], 7[P], 12[C],
GLY222O27816[O], 4[C], 7[P],
GLY222CA48825[O], 6[P], 1[N], 16[C],
GLY222N49824[O], 17[C], 2[N], 6[P],
SER223CA4987[P], 12[C], 30[O],
SER223O14814[O],
SER223N48829[O], 7[P], 12[C],
SER223OG3985[C], 7[P], 27[O],
SER223C2687[P], 3[C], 16[O],
SER223CB3487[P], 5[C], 22[O],
VAL224CG2686[O],
VAL224C888[O],
VAL224CB686[O],
VAL224CA888[O],
VAL224O1789[O], 1[C], 7[P],
VAL224N28818[O], 7[P], 3[C],
LYS225CD281[O], 1[C],
LYS225CE1187[O], 1[P], 3[C],
LYS225N181[O],
LYS225CG181[O],
LYS225NZ1086[O], 3[C], 1[P],
LEU242CB23814[C], 2[N], 7[O],
LEU242N281[C], 1[O],
LEU242O50826[O], 16[C], 2[N], 6[P],
LEU242CD225812[O], 11[C], 2[N],
LEU242CA2082[N], 11[C], 7[O],
LEU242CG27812[O], 13[C], 2[N],
LEU242CD11482[N], 5[C], 7[O],
LEU242C3782[N], 16[C], 19[O],
VAL243O44822[O], 15[C], 2[N], 5[P],
VAL243N3782[N], 16[C], 19[O],
VAL243C56831[O], 17[C], 2[N], 6[P],
VAL243CG11082[P], 8[O],
VAL243CB881[C], 7[O],
VAL243CA45820[O], 17[C], 6[P], 2[N],
VAL243CG2484[O],
GLY244C6282[N], 8[P], 17[C], 35[O],
GLY244O3387[P], 4[C], 22[O],
GLY244N70819[C], 7[P], 2[N], 42[O],
GLY244CA77847[O], 8[P], 2[N], 20[C],
GLY245C24817[O], 2[C], 5[P],
GLY245N55835[O], 8[P], 12[C],
GLY245O181[C],
GLY245CA3884[C], 8[P], 26[O],
ALA246CB787[O],
ALA246N25816[O], 7[P], 2[C],
ALA246CA282[O],
Total = 104



Download csv file of statistical distribution of contacts