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 :C6_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 C6_S1
Complex: 129_C_3(1IF2) / Model_91(1IF2/A) = [4.4] Download282.7012.25MRKPIIAGNWKMNKTASEAKEFAEAVKNKIPSNDKVDSVIGSPALFLQELMTSAEGTELKISAQNCYWENSGAFTGETSPAALADLGVHYVIIGHSERREYFHETDEDINKKAKAIFANGMTPILCCGESLETYEAGKTAEWIEGQITAGLADLSAEQVSNMVIAYEPIWAIGTGKSADAQIADEICGVVRQTVEKLYGKEVSEAVRIQYGGSVKPENIAEYMAKENVDGALVGGASLQADSFLSLLDAVK
Complex: G3P_B_5(3UWU) / Model_29(3UWU/B) = [4.1] Download282.6113.07MRKPIIAGNWKMNKTASEAKEFAEAVKNKIPSNDKVDSVIGSPALFLQELMTSAEGTELKISAQNCYWENSGAFTGETSPAALADLGVHYVIIGHSERREYFHETDEDINKKAKAIFANGMTPILCCGESLETYEAGKTAEWIEGQITAGLADLSAEQVSNMVIAYEPIWAIGTGKSADAQIADEICGVVRQTVEKLYGKEVSEAVRIQYGGSVKPENIAEYMAKENVDGALVGGASLQADSFLSLLDAVK
Complex: PGH_A_3(3TAO) / Model_14(3TAO/A) = [4.1] Download451.5011.62MRKPIIAGNWKMNKTASEAKEFAEAVKNKIPSNDKVDSVIGSPALFLQELMTSAEGTELKISAQNCYWENSGAFTGETSPAALADLGVHYVIIGHSERREYFHETDEDINKKAKAIFANGMTPILCCGESLETYEAGKTAEWIEGQITAGLADLSAEQVSNMVIAYEPIWAIGTGKSADAQIADEICGVVRQTVEKLYGKEVSEAVRIQYGGSVKPENIAEYMAKENVDGALVGGASLQADSFLSLLDAVK
Complex: 13P_B_14(4YMZ) / Model_37(4YMZ/B) = [3.7] Download312.427.84MRKPIIAGNWKMNKTASEAKEFAEAVKNKIPSNDKVDSVIGSPALFLQELMTSAEGTELKISAQNCYWENSGAFTGETSPAALADLGVHYVIIGHSERREYFHETDEDINKKAKAIFANGMTPILCCGESLETYEAGKTAEWIEGQITAGLADLSAEQVSNMVIAYEPIWAIGTGKSADAQIADEICGVVRQTVEKLYGKEVSEAVRIQYGGSVKPENIAEYMAKENVDGALVGGASLQADSFLSLLDAVK
Complex: UVW_A_4(4MVA) / Model_41(4MVA/A) = [3.7] Download512.0514.94MRKPIIAGNWKMNKTASEAKEFAEAVKNKIPSNDKVDSVIGSPALFLQELMTSAEGTELKISAQNCYWENSGAFTGETSPAALADLGVHYVIIGHSERREYFHETDEDINKKAKAIFANGMTPILCCGESLETYEAGKTAEWIEGQITAGLADLSAEQVSNMVIAYEPIWAIGTGKSADAQIADEICGVVRQTVEKLYGKEVSEAVRIQYGGSVKPENIAEYMAKENVDGALVGGASLQADSFLSLLDAVK
Consensus
[pKd Mean = 4.00]		-368
(s=95)		11
(s=2)		MRKPIIAGNWKMNKTASEAKEFAEAVKNKIPSNDKVDSVIGSPALFLQELMTSAEGTELKISAQNCYWENSGAFTGETSPAALADLGVHYVIIGHSERREYFHETDEDINKKAKAIFANGMTPILCCGESLETYEAGKTAEWIEGQITAGLADLSAEQVSNMVIAYEPIWAIGTGKSADAQIADEICGVVRQTVEKLYGKEVSEAVRIQYGGSVKPENIAEYMAKENVDGALVGGASLQADSFLSLLDAVK



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]
ASN9OD1471022[C], 23[O], 2[N],
ASN9CG611022[C], 32[O], 5[P], 2[N],
ASN9ND272102[N], 38[O], 9[P], 23[C],
LYS11CG821026[C], 44[O], 10[P], 2[N],
LYS11NZ971027[C], 10[P], 58[O], 2[N],
LYS11CE971010[P], 58[O], 2[N], 27[C],
LYS11CD961010[P], 57[O], 2[N], 27[C],
ASN13ND25104[O], 1[P],
ASN13CG2102[O],
ASN13OD14101[P], 3[O],
ILE40CD12101[C], 1[O],
ILE40CG21101[O],
ILE40CG11101[O],
GLN64OE11101[O],
GLN64CG1101[O],
ILE92CG110103[C], 6[O], 1[N],
ILE92CD120109[C], 2[N], 9[O],
ILE92CG215107[O], 1[N], 7[C],
HIS95NE2891053[O], 9[P], 2[N], 25[C],
HIS95CD247102[N], 22[O], 1[P], 22[C],
HIS95ND1481022[C], 24[O], 2[N],
HIS95CE175102[N], 39[O], 9[P], 25[C],
HIS95CG461022[O], 2[N], 22[C],
SER96OG261014[O], 1[N], 11[C],
GLU97CG30108[C], 1[N], 20[O], 1[P],
GLU97CD57103[P], 31[O], 2[N], 21[C],
GLU97OE2801024[C], 45[O], 9[P], 2[N],
GLU97OE150101[P], 27[O], 2[N], 20[C],
ILE124CG25104[O], 1[C],
CYS126SG301013[C], 15[O], 2[N],
GLU167OE277102[N], 8[P], 43[O], 24[C],
GLU167OE169102[N], 6[P], 37[O], 24[C],
GLU167CD701024[C], 2[N], 38[O], 6[P],
GLU167CG67107[P], 34[O], 2[N], 24[C],
PRO168CG1101[C],
PRO168CD4102[C], 2[O],
ILE172CD188102[N], 50[O], 10[P], 26[C],
ILE172CG1931026[C], 55[O], 10[P], 2[N],
ILE172CG2921054[O], 10[P], 2[N], 26[C],
THR174CG28108[O],
THR174OG114106[P], 8[O],
SER177OG4104[O],
GLN209OE16101[N], 4[O], 1[C],
GLN209CG1101[O],
GLN209CD2102[O],
GLN209NE24102[C], 2[O],
TYR210CD25103[O], 2[C],
TYR210CD11101[O],
TYR210CE11101[O],
TYR210CE2261017[O], 9[C],
TYR210CG1101[O],
TYR210CZ13104[C], 9[O],
SER213OG681016[C], 10[P], 42[O],
VAL214CG2581019[C], 9[P], 28[O], 2[N],
VAL214CG1161010[O], 5[P], 1[C],
LYS215CE46104[C], 8[P], 34[O],
LYS215CD21103[P], 15[O], 3[C],
LYS215NZ27105[C], 18[O], 4[P],
LYS215CG37107[P], 27[O], 3[C],
ASN218OD11101[O],
LEU232CG58102[N], 4[P], 30[O], 22[C],
LEU232CD146102[N], 22[O], 22[C],
LEU232CD2481022[C], 23[O], 1[P], 2[N],
VAL233CG2591022[C], 2[N], 27[O], 8[P],
VAL233CG1801025[C], 2[N], 44[O], 9[P],
SER237OG491010[C], 30[O], 7[P], 2[N],
LEU238CD21101[O],
LEU238CD1151012[O], 2[P], 1[C],
LEU238CG6105[O], 1[C],
LEU246CD18108[O],
Total = 70



Download csv file of statistical distribution of contacts