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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: APR_A_2(3IID) / Model_4(3IID/A) = [10.1] Download949.8710.40MSSRGGKKKSTKTSRSAKAGVIFPVGRMLRYIKKGHPKYRIGVGAPVYMAAVLEYLTAEILELAGNAARDNKKGRVTPRHILLAVANDEELNQLLKGVTIASGGVLPNIHPELLAKKRGSKGKLEAIITPPPAKKAKSPSQKKPVSKKAGGKKGARKSKKKQGEVSKAASADSTTEGTPADGFTVLSTKSLFLGQKLNLIHSEISNLAGFEVEAIINPTNADIDLKDDLGNTLEKKGGKEFVEAVLELRKKNGPLEVAGAAVSAGHGLPAKFVIHCNSPVWGADKCEELLEKTVKNCLALADDKKLKSIAFPSIGSGRNGFPKQTAAQLILKAISSYFVSTMSSSIKTVYFVLFDSESIGIYVQEMAKLDAN
Complex: MES_A_5(1ZR3) / Model_2(1ZR3/A) = [3.6] Download360.80-0.42MSSRGGKKKSTKTSRSAKAGVIFPVGRMLRYIKKGHPKYRIGVGAPVYMAAVLEYLTAEILELAGNAARDNKKGRVTPRHILLAVANDEELNQLLKGVTIASGGVLPNIHPELLAKKRGSKGKLEAIITPPPAKKAKSPSQKKPVSKKAGGKKGARKSKKKQGEVSKAASADSTTEGTPADGFTVLSTKSLFLGQKLNLIHSEISNLAGFEVEAIINPTNADIDLKDDLGNTLEKKGGKEFVEAVLELRKKNGPLEVAGAAVSAGHGLPAKFVIHCNSPVWGADKCEELLEKTVKNCLALADDKKLKSIAFPSIGSGRNGFPKQTAAQLILKAISSYFVSTMSSSIKTVYFVLFDSESIGIYVQEMAKLDAN
Consensus
[pKd Mean = 6.85]		-655
(s=294)		4
(s=5)		MSSRGGKKKSTKTSRSAKAGVIFPVGRMLRYIKKGHPKYRIGVGAPVYMAAVLEYLTAEILELAGNAARDNKKGRVTPRHILLAVANDEELNQLLKGVTIASGGVLPNIHPELLAKKRGSKGKLEAIITPPPAKKAKSPSQKKPVSKKAGGKKGARKSKKKQGEVSKAASADSTTEGTPADGFTVLSTKSLFLGQKLNLIHSEISNLAGFEVEAIINPTNADIDLKDDLGNTLEKKGGKEFVEAVLELRKKNGPLEVAGAAVSAGHGLPAKFVIHCNSPVWGADKCEELLEKTVKNCLALADDKKLKSIAFPSIGSGRNGFPKQTAAQLILKAISSYFVSTMSSSIKTVYFVLFDSESIGIYVQEMAKLDAN



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]
SER202OG522[C], 3[N],
GLU203CD623[C], 3[N],
GLU203OE2623[N], 3[C],
GLU203OE1422[C], 2[N],
GLU203CG924[N], 5[C],
ILE204CG21425[N], 2[O], 7[C],
ILE204CG1723[N], 4[C],
ILE204CD1924[C], 1[O], 4[N],
SER205OG522[N], 3[C],
ASN206OD1322[N], 1[C],
ASN206CG121[N],
LEU207CG221[C], 1[N],
LEU207CD1221[N], 1[C],
ASN217ND2523[O], 2[C],
ASN217CG925[O], 4[C],
ASN217OD123211[C], 2[P], 9[O], 1[N],
PRO218CG3623[N], 1[S], 2[P], 14[O], 16[C],
PRO218CD34214[C], 2[P], 1[S], 14[O], 3[N],
THR219OG11721[N], 5[O], 11[C],
THR219CG21725[O], 11[C], 1[N],
ASN220CG1625[O], 10[C], 1[N],
ASN220OD11525[O], 9[C], 1[N],
ASN220ND21621[N], 5[O], 10[C],
ASP224OD216210[C], 5[O], 1[N],
ASP224OD11425[O], 8[C], 1[N],
ASP224CG1529[C], 5[O], 1[N],
LEU225CD2321[C], 2[O],
LEU225CG321[C], 2[O],
LYS226CG1121[N], 6[C], 4[O],
LYS226CE523[O], 2[C],
LYS226CD1024[O], 5[C], 1[N],
LYS226NZ121[C],
ASP227OD24123[N], 1[S], 2[P], 16[O], 19[C],
ASP227OD13121[N], 15[O], 2[P], 1[S], 12[C],
ASP227CG3421[N], 14[C], 2[P], 1[S], 16[O],
ASP228OD124210[O], 2[P], 10[C], 2[N],
ASP228OD22623[N], 10[C], 2[P], 11[O],
ASP228CG2724[N], 11[C], 2[P], 10[O],
LEU229CG2325[N], 11[C], 1[P], 6[O],
LEU229CD22621[S], 2[P], 8[O], 10[C], 5[N],
LEU229CD12025[N], 9[C], 1[P], 5[O],
ASN231OD1221[C], 1[O],
ASN231ND2424[O],
ASN231CG321[C], 2[O],
THR232OG11025[N], 5[C],
THR232CG21325[N], 6[C], 2[O],
LEU233CD2322[N], 1[C],
LEU233CG322[N], 1[C],
LYS235CE222[N],
LYS235CD121[N],
LYS235NZ422[N], 2[C],
CYS276SG821[S], 1[P], 4[O], 2[C],
ASN277CG625[C], 1[O],
ASN277OD11521[N], 9[C], 1[S], 4[O],
SER278OG2528[C], 2[P], 1[S], 13[O], 1[N],
PRO279CD521[P], 4[O],
PRO279CG222[O],
VAL280CG21427[O], 1[P], 6[C],
VAL280CG1221[C], 1[O],
LEU290CD1421[S], 3[O],
THR293CG2121[O],
PRO312CG2628[O], 2[P], 1[S], 11[C], 4[N],
PRO312CD1425[O], 1[P], 5[C], 3[N],
SER313OG1322[N], 6[O], 5[C],
ILE314CG21725[C], 2[P], 1[S], 9[O],
ILE314CD1621[S], 4[O], 1[C],
ILE314CG11621[S], 2[P], 10[O], 3[C],
SER316OG2522[N], 8[C], 2[P], 1[S], 12[O],
ARG318CG3121[N], 1[S], 2[P], 15[O], 12[C],
ARG318CD29211[C], 2[P], 1[S], 14[O], 1[N],
ARG318NE2721[N], 1[S], 2[P], 13[O], 10[C],
ARG318CZ1626[O], 1[P], 1[S], 7[C], 1[N],
ASN319OD129211[C], 2[P], 1[S], 14[O], 1[N],
ASN319CG3121[N], 12[C], 2[P], 1[S], 15[O],
ASN319ND23021[N], 11[C], 2[P], 15[O], 1[S],
PHE321CD1421[S], 3[O],
PHE321CE2321[P], 2[O],
PHE321CE1322[O], 1[S],
PHE321CG621[P], 4[O], 1[S],
PHE321CD2421[P], 3[O],
PHE321CZ121[O],
LYS323CG823[O], 5[C],
LYS323NZ1126[C], 4[O], 1[N],
LYS323CD724[C], 3[O],
LYS323CE1121[N], 6[C], 4[O],
ILE330CD1322[C], 1[O],
PHE351CZ221[O], 1[C],
PHE351CE1221[O], 1[C],
VAL352CG2422[C], 2[N],
VAL352CG1925[C], 4[N],
LEU353CD2821[N], 3[O], 4[C],
LEU353CG321[N], 1[C], 1[O],
PHE354CE21425[N], 2[O], 7[C],
PHE354CE11025[N], 5[C],
PHE354CD11225[N], 1[O], 6[C],
PHE354CG1522[O], 8[C], 5[N],
PHE354CD21725[N], 9[C], 3[O],
PHE354CZ1126[C], 5[N],
ASP355OD21021[N], 6[C], 3[O],
ASP355CG1624[O], 9[C], 3[N],
ASP355OD11824[N], 4[O], 10[C],
GLU357OE1222[O],
SER358OG1227[C], 3[O], 2[N],
Total = 103



Download csv file of statistical distribution of contacts