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 :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: GLU_A_3(3VP1) / Model_11(3VP1/A) = [3.4] Download8768.6817.94MEVKELEQLIGKNFHYYQTGQVADYIPALAEVDPKQLGMAIYDLDTKQLIEGGDADVRFAIESMSKVPVLLLAIKDNGIEKVFQTINTEPTGFAFNSIMNMEINHRKHPMNPFVNAGAIATTSLIAGKDADEKFERILSFMKEICDDPNITLNEEIYHSESRTGDINRSLAYYMKGNQMIEGDVPEILDAYFRQCSLNVTATGIAKLAAVLANKGIAPWNGKQIITEESATIVKSIMTTAGLYDESGEFSVHVGVPAKSGVGGGLMAAVPNRYGIGVFSPALDPFGNSAAGIQLLKDVVKELDADIFE
Consensus
[pKd Mean = 3.40]		-8768
(s=0)		17
(s=0)		MEVKELEQLIGKNFHYYQTGQVADYIPALAEVDPKQLGMAIYDLDTKQLIEGGDADVRFAIESMSKVPVLLLAIKDNGIEKVFQTINTEPTGFAFNSIMNMEINHRKHPMNPFVNAGAIATTSLIAGKDADEKFERILSFMKEICDDPNITLNEEIYHSESRTGDINRSLAYYMKGNQMIEGDVPEILDAYFRQCSLNVTATGIAKLAAVLANKGIAPWNGKQIITEESATIVKSIMTTAGLYDESGEFSVHVGVPAKSGVGGGLMAAVPNRYGIGVFSPALDPFGNSAAGIQLLKDVVKELDADIFE



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]
TYR25CZ1015[C], 1[N], 4[O],
TYR25CE1915[C], 1[N], 3[O],
TYR25CD1712[O], 1[N], 4[C],
TYR25CD2915[C], 1[N], 3[O],
TYR25CE21015[C], 4[O], 1[N],
TYR25CG611[N], 1[O], 4[C],
ILE26CD1211[C], 1[N],
ILE26CG2111[N],
ILE26CG1111[N],
LEU29CG211[N], 1[C],
LEU29CD2211[C], 1[O],
LEU29CD1614[C], 1[N], 1[O],
ILE61CG2111[O],
GLU62CD1015[C], 4[O], 1[N],
GLU62CG1015[C], 4[O], 1[N],
GLU62OE11011[N], 4[O], 5[C],
GLU62OE2915[C], 1[N], 3[O],
SER63OG1015[C], 1[N], 4[O],
MET64CG111[O],
SER65OG211[C], 1[O],
LYS66NZ1015[C], 4[O], 1[N],
LYS66CG613[O], 3[C],
LYS66CD814[C], 4[O],
LYS66CE1015[C], 4[O], 1[N],
ASN115CG1014[O], 1[N], 5[C],
ASN115ND21015[C], 1[N], 4[O],
ASN115OD11014[O], 1[N], 5[C],
ILE119CG1111[O],
ILE119CD1111[O],
ILE156CG2211[C], 1[N],
GLU160OE2915[C], 3[O], 1[N],
GLU160OE1911[N], 3[O], 5[C],
GLU160CG714[C], 1[N], 2[O],
GLU160CD913[O], 1[N], 5[C],
ILE166CG2311[C], 2[O],
ILE166CD1111[O],
ILE166CG1111[O],
ASN167CG711[N], 2[O], 4[C],
ASN167ND2714[C], 2[O], 1[N],
ASN167OD1712[O], 1[N], 4[C],
LEU170CD1311[C], 2[O],
TYR191CZ915[C], 3[O], 1[N],
TYR191CE1714[C], 2[O], 1[N],
TYR191CE2712[O], 1[N], 4[C],
TYR191CD2612[O], 1[N], 3[C],
TYR191CG512[C], 2[O], 1[N],
TYR191CD1512[O], 1[N], 2[C],
PHE192CD1111[O],
PHE192CG311[C], 1[N], 1[O],
PHE192CE1111[O],
PHE192CE2512[C], 1[N], 2[O],
PHE192CD2611[N], 2[O], 3[C],
PHE192CZ311[O], 1[N], 1[C],
CYS195SG1015[C], 1[N], 4[O],
SER196OG111[N],
TYR243CG412[C], 2[O],
TYR243CZ613[C], 3[O],
TYR243CE2412[O], 2[C],
TYR243CE1613[O], 3[C],
TYR243CD1412[O], 2[C],
TYR243CD2412[C], 2[O],
LYS258NZ412[C], 2[O],
LYS258CE312[O], 1[C],
LYS258CG111[O],
SER259OG312[O], 1[C],
VAL261CG11014[O], 1[N], 5[C],
VAL261CG2915[C], 1[N], 3[O],
LEU282CD1412[C], 2[O],
ASN287OD1111[O],
Total = 69



Download csv file of statistical distribution of contacts