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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ADP_C_9(2WE5) / Model_21(2WE5/C) = [7.1] Download1056.5027.89MAKRKVVVALGGNAILSTDASAKAQQEALMETAKYLVKFIEQGDELIISHGNGPQVGNLLIQQQAADSEKTPAMPLDTCVAMTEGSIGYWLQNAMGEVLKEKGIDKDVVSLVTQVIVDENDPSFKNPSKPVGPFYTEEEAKEQMNADSTVTFKEDAGRGWRKVVASPKPISIKEARVIETLVDQGVITVSVGGGGIPVVETATGLEGREAVIDKDFASEKLAEIIDADLLIVLTGVDNVYVNYQKPDQKKLETVTVSEMKQYIDEKQFAPGSMLPKVEAAIAFVEAKPNAKAIITSLENIENLLASEEGTIIVAD
Complex: ANP_A_5(4JZ7) / Model_5(4JZ7/A) = [6.6] Download1443.9632.17MAKRKVVVALGGNAILSTDASAKAQQEALMETAKYLVKFIEQGDELIISHGNGPQVGNLLIQQQAADSEKTPAMPLDTCVAMTEGSIGYWLQNAMGEVLKEKGIDKDVVSLVTQVIVDENDPSFKNPSKPVGPFYTEEEAKEQMNADSTVTFKEDAGRGWRKVVASPKPISIKEARVIETLVDQGVITVSVGGGGIPVVETATGLEGREAVIDKDFASEKLAEIIDADLLIVLTGVDNVYVNYQKPDQKKLETVTVSEMKQYIDEKQFAPGSMLPKVEAAIAFVEAKPNAKAIITSLENIENLLASEEGTIIVAD
Consensus
[pKd Mean = 6.85]		-1250
(s=193)		30
(s=2)		MAKRKVVVALGGNAILSTDASAKAQQEALMETAKYLVKFIEQGDELIISHGNGPQVGNLLIQQQAADSEKTPAMPLDTCVAMTEGSIGYWLQNAMGEVLKEKGIDKDVVSLVTQVIVDENDPSFKNPSKPVGPFYTEEEAKEQMNADSTVTFKEDAGRGWRKVVASPKPISIKEARVIETLVDQGVITVSVGGGGIPVVETATGLEGREAVIDKDFASEKLAEIIDADLLIVLTGVDNVYVNYQKPDQKKLETVTVSEMKQYIDEKQFAPGSMLPKVEAAIAFVEAKPNAKAIITSLENIENLLASEEGTIIVAD



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]
ASN13OD1922[P], 6[O], 1[N],
ASN13ND2621[P], 4[O], 1[N],
ASN13CG821[N], 5[O], 2[P],
ILE15CD1121[O],
THR18OG1121[O],
HIS50ND1222[O],
ASN52OD1121[O],
PRO54CG523[O], 1[P], 1[N],
PRO54CD621[N], 4[O], 1[P],
GLN55OE1121[O],
GLN55NE2121[O],
GLN55CD121[O],
LYS129NZ323[O],
ASP213OD2625[O], 1[P],
ASP213OD1625[O], 1[P],
ASP213CG521[P], 4[O],
LYS214CE19214[O], 4[P], 1[N],
LYS214CG1323[P], 9[O], 1[N],
LYS214CD1724[P], 12[O], 1[N],
LYS214NZ2021[N], 5[P], 14[O],
ASP215CG16212[O], 3[P], 1[N],
ASP215OD11329[O], 3[P], 1[N],
ASP215OD22121[C], 5[P], 14[O], 1[N],
VAL232CG11321[N], 9[O], 1[C], 2[P],
THR234CG24125[N], 18[O], 14[C], 4[P],
THR234OG146222[O], 14[C], 5[P], 5[N],
VAL236CG243210[N], 2[P], 20[C], 11[O],
VAL236CG14029[N], 10[O], 20[C], 1[P],
ASP237OD1121[C],
VAL239CG218210[N], 8[C],
VAL239CG121210[C], 1[O], 10[N],
TYR240CZ824[N], 4[C],
TYR240CD21226[N], 6[C],
TYR240CD126216[C], 10[N],
TYR240CE120212[C], 8[N],
TYR240CE2824[N], 4[C],
TYR240CG18210[N], 8[C],
VAL241CG2421[C], 3[N],
VAL241CG1421[C], 3[N],
TYR243CD134210[N], 18[C], 6[O],
TYR243CG34210[N], 6[O], 18[C],
TYR243CD23426[O], 18[C], 10[N],
TYR243CE236210[N], 20[C], 6[O],
TYR243CZ3626[O], 20[C], 10[N],
TYR243CE134218[C], 6[O], 10[N],
GLN244OE11424[N], 2[O], 8[C],
GLN244CD2326[N], 14[C], 3[O],
GLN244CG2529[N], 2[O], 14[C],
GLN244NE230217[C], 5[O], 8[N],
GLN248OE1221[C], 1[N],
GLN248CD523[N], 2[C],
GLN248NE21126[C], 5[N],
GLN248CG522[C], 3[N],
LYS250CD221[C], 1[N],
LYS250NZ221[N], 1[C],
LEU251CD2222[N],
LEU251CD1521[C], 4[N],
LEU251CG222[N],
MET259CE121[N],
GLN267OE1825[N], 3[C],
GLN267NE2222[N],
GLN267CD422[N], 2[C],
GLN267CG523[N], 2[C],
PHE268CD11527[C], 8[N],
PHE268CE11125[C], 6[N],
PHE268CG1929[N], 10[C],
PHE268CZ1025[N], 5[C],
PHE268CD21528[N], 7[C],
PHE268CE21226[N], 6[C],
PRO270CD422[N], 2[C],
SER272OG48210[N], 20[C], 16[O], 2[P],
MET273CG3921[P], 20[C], 8[O], 10[N],
MET273SD42210[O], 20[C], 2[P], 10[N],
MET273CE47220[C], 15[O], 2[P], 10[N],
PRO275CG626[O],
PRO275CD827[O], 1[P],
LYS276CG2721[N], 5[C], 5[P], 16[O],
LYS276CE4525[P], 15[C], 20[O], 5[N],
LYS276NZ3227[C], 5[P], 19[O], 1[N],
LYS276CD40212[C], 18[O], 5[P], 5[N],
VAL277CG21025[C], 5[N],
ILE294CG21024[N], 5[C], 1[O],
THR310OG1422[C], 2[N],
Total = 83



Download csv file of statistical distribution of contacts