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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: PLP_A_3(3L8A) / Model_4(3L8A/A) = [3.1] Download573.9914.70MGKYDFTSLPNRLGHHTYKWKETETDSEVLPAWIADMDFVVLPEIHQAVQTYADQLVYGYTYASEDLIKEVQKWEATQYGYNFDKEALVFIEGVVPAISTAIQTFTKEGEAVLINTPVYPPFARSVKLNNRRLITNSLVEKDSLFEIDFDQLEKDLVEEEVKLYVLCNPHNPGGRVWEKEVLEKIGQLCQKHGVLLVSDEIHQDLTLFGHKHQSFNTINPAFKNFAIVLSSATKTFNIAGTKNSYAVIENPKLRLAFQKRLLANNQHEISGLGYLATEAAYRYGKDWLEELKQVFEDHINYVVDLFGKETKIKVMKPQGTYLIWLDFSAYDLTDETLQELLRNEAKVILNRGLDFGEEGSLHARINIAMPKSLLQEVCQRIVATFAKC
Consensus
[pKd Mean = 3.10]		-573
(s=0)		14
(s=0)		MGKYDFTSLPNRLGHHTYKWKETETDSEVLPAWIADMDFVVLPEIHQAVQTYADQLVYGYTYASEDLIKEVQKWEATQYGYNFDKEALVFIEGVVPAISTAIQTFTKEGEAVLINTPVYPPFARSVKLNNRRLITNSLVEKDSLFEIDFDQLEKDLVEEEVKLYVLCNPHNPGGRVWEKEVLEKIGQLCQKHGVLLVSDEIHQDLTLFGHKHQSFNTINPAFKNFAIVLSSATKTFNIAGTKNSYAVIENPKLRLAFQKRLLANNQHEISGLGYLATEAAYRYGKDWLEELKQVFEDHINYVVDLFGKETKIKVMKPQGTYLIWLDFSAYDLTDETLQELLRNEAKVILNRGLDFGEEGSLHARINIAMPKSLLQEVCQRIVATFAKC



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]
ILE34CG1111[C],
ILE91CG2111[O],
GLU92CG413[O], 1[P],
VAL94CG11518[C], 1[N], 1[P], 5[O],
VAL94CG21418[C], 1[N], 1[P], 4[O],
VAL95CG21515[O], 1[P], 8[C], 1[N],
VAL95CG11013[O], 1[P], 1[N], 5[C],
PRO96CG611[P], 4[O], 1[C],
PRO96CD813[C], 4[O], 1[P],
ILE98CD11012[O], 1[N], 7[C],
ILE98CG1511[N], 4[C],
VAL118CG2312[C], 1[N],
TYR119CE11414[O], 1[P], 1[N], 8[C],
TYR119CG1111[N], 8[C], 2[O],
TYR119CD11112[O], 1[N], 8[C],
TYR119CZ1515[O], 1[P], 1[N], 8[C],
TYR119CE21518[C], 1[N], 1[P], 5[O],
TYR119CD21313[O], 1[P], 8[C], 1[N],
PRO120CD411[O], 3[C],
PRO121CG1213[O], 1[N], 8[C],
PRO121CD1018[C], 1[N], 1[O],
PHE122CD2413[C], 1[N],
PHE122CG511[N], 4[C],
PHE122CZ811[N], 6[C], 1[O],
PHE122CE1911[N], 7[C], 1[O],
PHE122CD1911[O], 1[N], 7[C],
PHE122CE2511[N], 4[C],
CYS167SG811[O], 6[C], 1[N],
PRO169CD111[C],
HIS170CD2111[C],
HIS170CG111[C],
ASN171OD1711[O], 1[N], 5[C],
ASN171ND21018[C], 1[N], 1[O],
ASN171CG911[O], 1[N], 7[C],
PRO172CD111[C],
ASP199OD11318[C], 1[N], 3[O], 1[P],
ASP199CG1211[N], 8[C], 3[O],
ASP199OD21411[P], 4[O], 8[C], 1[N],
ILE201CG11518[C], 1[N], 1[P], 5[O],
ILE201CG21515[O], 1[P], 8[C], 1[N],
ILE201CD11511[N], 8[C], 5[O], 1[P],
HIS202CD21112[O], 1[N], 8[C],
HIS202ND1911[O], 7[C], 1[N],
HIS202NE21112[O], 1[N], 8[C],
HIS202CE11112[O], 8[C], 1[N],
HIS202CG911[N], 7[C], 1[O],
LEU229CD1211[C], 1[N],
SER231OG611[P], 4[O], 1[C],
THR233CG2511[P], 4[O],
THR233OG11116[C], 4[O], 1[P],
LYS234CE1511[N], 8[C], 1[P], 5[O],
LYS234NZ1518[C], 1[N], 1[P], 5[O],
LYS234CD1418[C], 1[N], 4[O], 1[P],
LYS234CG1515[O], 1[P], 8[C], 1[N],
LYS242CG413[O], 1[P],
LYS242CE411[P], 3[O],
LYS242CD514[O], 1[P],
LYS242NZ611[C], 4[O], 1[P],
SER244OG514[O], 1[P],
THR320CG2211[C], 1[O],
TYR321CZ211[C], 1[O],
LEU322CG111[O],
LEU322CD2111[O],
LEU322CD1611[O], 5[C],
PHE355CE1111[O],
ARG364CZ211[C], 1[O],
ARG364NE111[O],
ARG364CD111[O],
Total = 68



Download csv file of statistical distribution of contacts