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 :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: GSP_A_3(2Q1Y) / Model_77(2Q1Y/A) = [8.4] Download1037.0610.94MEFSIDNNINDGAVIKVIGVGGGGGNAVNRMIEENVKGVEFITANTDVQALKNSKAETVIQLGPKYTRGLGAGSQPEVGQKAAEESEQSLREALDGADMIFITAGMGGGTGTGAAPIVAGIAKELGALTVGVVTRPFTFEGPKRGRFAAEGIARLKENVDTLLIISNNRLLEVVDKKTPMLEAFREADNVLRQGVQGISDLITAPGYVNLDFADVKTVMENQGTALMGIGVASGEDRVVEATKKAISSPLLETSIDGAEQVLLNITGGLDMTLFEAQDASDIVANAATGDVNIILGTSINEEMGDEIRVTVIATGIDESKKERKSSRPARQAQMQSPAQKTVLDMDQAKPTSSEEENSFGDWDIRREQNVRPRVDDSNFDNIEKKEFDTFNREETKSHGDDELNTPPFFRRKK
Complex: G2P_A_3(1W5F) / Model_57(1W5F/A) = [8.0] Download911.4710.35MEFSIDNNINDGAVIKVIGVGGGGGNAVNRMIEENVKGVEFITANTDVQALKNSKAETVIQLGPKYTRGLGAGSQPEVGQKAAEESEQSLREALDGADMIFITAGMGGGTGTGAAPIVAGIAKELGALTVGVVTRPFTFEGPKRGRFAAEGIARLKENVDTLLIISNNRLLEVVDKKTPMLEAFREADNVLRQGVQGISDLITAPGYVNLDFADVKTVMENQGTALMGIGVASGEDRVVEATKKAISSPLLETSIDGAEQVLLNITGGLDMTLFEAQDASDIVANAATGDVNIILGTSINEEMGDEIRVTVIATGIDESKKERKSSRPARQAQMQSPAQKTVLDMDQAKPTSSEEENSFGDWDIRREQNVRPRVDDSNFDNIEKKEFDTFNREETKSHGDDELNTPPFFRRKK
Complex: GDP_A_2(5H5I) / Model_16(5H5I/A) = [7.5] Download1219.2010.42MEFSIDNNINDGAVIKVIGVGGGGGNAVNRMIEENVKGVEFITANTDVQALKNSKAETVIQLGPKYTRGLGAGSQPEVGQKAAEESEQSLREALDGADMIFITAGMGGGTGTGAAPIVAGIAKELGALTVGVVTRPFTFEGPKRGRFAAEGIARLKENVDTLLIISNNRLLEVVDKKTPMLEAFREADNVLRQGVQGISDLITAPGYVNLDFADVKTVMENQGTALMGIGVASGEDRVVEATKKAISSPLLETSIDGAEQVLLNITGGLDMTLFEAQDASDIVANAATGDVNIILGTSINEEMGDEIRVTVIATGIDESKKERKSSRPARQAQMQSPAQKTVLDMDQAKPTSSEEENSFGDWDIRREQNVRPRVDDSNFDNIEKKEFDTFNREETKSHGDDELNTPPFFRRKK
Complex: GTP_B_4(5MN5) / Model_30(5MN5/B) = [5.3] Download1342.5319.12MEFSIDNNINDGAVIKVIGVGGGGGNAVNRMIEENVKGVEFITANTDVQALKNSKAETVIQLGPKYTRGLGAGSQPEVGQKAAEESEQSLREALDGADMIFITAGMGGGTGTGAAPIVAGIAKELGALTVGVVTRPFTFEGPKRGRFAAEGIARLKENVDTLLIISNNRLLEVVDKKTPMLEAFREADNVLRQGVQGISDLITAPGYVNLDFADVKTVMENQGTALMGIGVASGEDRVVEATKKAISSPLLETSIDGAEQVLLNITGGLDMTLFEAQDASDIVANAATGDVNIILGTSINEEMGDEIRVTVIATGIDESKKERKSSRPARQAQMQSPAQKTVLDMDQAKPTSSEEENSFGDWDIRREQNVRPRVDDSNFDNIEKKEFDTFNREETKSHGDDELNTPPFFRRKK
Consensus
[pKd Mean = 7.30]
-1127
(s=165)
12
(s=3)
MEFSIDNNINDGAVIKVIGVGGGGGNAVNRMIEENVKGVEFITANTDVQALKNSKAETVIQLGPKYTRGLGAGSQPEVGQKAAEESEQSLREALDGADMIFITAGMGGGTGTGAAPIVAGIAKELGALTVGVVTRPFTFEGPKRGRFAAEGIARLKENVDTLLIISNNRLLEVVDKKTPMLEAFREADNVLRQGVQGISDLITAPGYVNLDFADVKTVMENQGTALMGIGVASGEDRVVEATKKAISSPLLETSIDGAEQVLLNITGGLDMTLFEAQDASDIVANAATGDVNIILGTSINEEMGDEIRVTVIATGIDESKKERKSSRPARQAQMQSPAQKTVLDMDQAKPTSSEEENSFGDWDIRREQNVRPRVDDSNFDNIEKKEFDTFNREETKSHGDDELNTPPFFRRKK



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]
VAL20CG11148[O], 3[P],
ASN26ND247418[C], 11[O], 15[N], 3[P],
ASN26CG40415[C], 9[O], 15[N], 1[P],
ASN26OD131413[C], 8[O], 10[N],
ARG30CD141[N],
ASN45OD144411[P], 1[S], 1[C], 31[O],
ASN45ND241428[O], 1[C], 11[P], 1[S],
ASN45CG4041[S], 11[P], 27[O], 1[C],
THR46CG22144[P], 17[O],
THR46OG130422[O], 1[S], 7[P],
ASP47OD1646[O],
ASP47OD21148[O], 1[S], 2[P],
ASP47CG1241[S], 2[P], 9[O],
THR67OG1242[O],
THR67CG2541[P], 4[O],
SER74OG3045[C], 17[O], 1[S], 7[P],
GLN75NE2141[O],
GLN75CG242[O],
GLN75CD242[O],
PRO76CD444[O],
PRO76CG444[O],
VAL78CG1645[O], 1[P],
VAL78CG2242[O],
THR103OG1441[C], 3[N],
MET106CG1147[C], 4[O],
MET106SD744[O], 3[C],
MET106CE945[O], 4[C],
THR110CG241428[O], 1[C], 11[P], 1[S],
THR110OG143430[O], 1[C], 11[P], 1[S],
THR112OG158413[C], 34[O], 11[P],
THR112CG2444[O],
THR134OG18041[P], 20[N], 19[O], 40[C],
THR134CG247416[N], 8[O], 23[C],
PRO136CD32412[O], 20[C],
PRO136CG34414[O], 20[C],
PHE137CZ3244[O], 17[C], 11[N],
PHE137CE133416[C], 8[O], 9[N],
PHE137CG19410[C], 8[O], 1[N],
PHE137CD128415[C], 8[O], 5[N],
PHE137CE236418[C], 8[O], 10[N],
PHE137CD231417[C], 8[O], 6[N],
PHE139CE2341[C], 2[O],
PHE139CD2141[O],
PHE139CE11347[C], 6[O],
PHE139CZ1347[C], 5[O], 1[N],
PHE139CD1242[O],
GLU140OE26742[P], 19[O], 34[C], 12[N],
GLU140CG42413[O], 24[C], 5[N],
GLU140CD58411[N], 16[O], 31[C],
GLU140OE16642[P], 11[N], 32[C], 21[O],
ARG144CZ8846[N], 45[O], 25[C], 11[P], 1[S],
ARG144NE7643[N], 25[C], 37[O], 10[P], 1[S],
ARG144CG34415[O], 19[C],
ARG144CD5044[P], 2[N], 23[C], 21[O],
ASN167OD145415[N], 9[O], 21[C],
ASN167CG59431[C], 12[O], 16[N],
ASN167ND273420[N], 13[O], 40[C],
LEU170CD1943[C], 6[N],
MET180CE241[C], 1[N],
LEU181CD2843[O], 2[C], 3[N],
PHE184CD176437[C], 19[O], 20[N],
PHE184CE17941[P], 19[N], 38[C], 21[O],
PHE184CZ8341[P], 20[N], 40[C], 22[O],
PHE184CD277438[C], 19[O], 20[N],
PHE184CE28342[P], 39[C], 22[O], 20[N],
PHE184CG75420[N], 18[O], 37[C],
ARG185CD442[O], 1[C], 1[N],
ARG185CG1544[O], 6[C], 5[N],
ARG185NE241[C], 1[O],
ASP188OD149420[N], 5[O], 24[C],
ASP188OD240417[C], 4[O], 19[N],
ASP188CG41420[N], 4[O], 17[C],
VAL190CG1241[C], 1[N],
LEU191CD140420[C], 4[O], 16[N],
LEU191CD21248[N], 4[C],
LEU191CG1846[C], 12[N],
Total = 76



Download csv file of statistical distribution of contacts