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: COZ_B_2(2G2Z) / Model_5(2G2Z/A) = [4.6] Download2090.2835.21MSAKRLEQVALATKTAFVFPGQGSQKVGMLAELAEQFSGVGQTFAEASDALGFDLWHIAQSGEGLDQTENTQPVLLTASIALWRLWLDLGGLAPKYLAGHSLGEYSALVAAGSMSLADAVKLVNLRGKLMQNAVPQGEGAMAAILGLADDKVVELCRSVSASGQGSVEAANYNSQGQVVIAGSTASVQQVMALAKEQSAKAIALPVSVPSHCSLMKPAAEKFAEALEQTAIELPTIPVIQNVNAEIATDVAQLRQALTAQLYQSVQWTRTMQSLQDQGIQYIVECGPGTVLSNLAKRLPKIEKAFSIDSKSKMEDALNAVLVAEGKIA
Consensus
[pKd Mean = 4.60]		-2090
(s=0)		35
(s=0)		MSAKRLEQVALATKTAFVFPGQGSQKVGMLAELAEQFSGVGQTFAEASDALGFDLWHIAQSGEGLDQTENTQPVLLTASIALWRLWLDLGGLAPKYLAGHSLGEYSALVAAGSMSLADAVKLVNLRGKLMQNAVPQGEGAMAAILGLADDKVVELCRSVSASGQGSVEAANYNSQGQVVIAGSTASVQQVMALAKEQSAKAIALPVSVPSHCSLMKPAAEKFAEALEQTAIELPTIPVIQNVNAEIATDVAQLRQALTAQLYQSVQWTRTMQSLQDQGIQYIVECGPGTVLSNLAKRLPKIEKAFSIDSKSKMEDALNAVLVAEGKIA



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]
GLN22NE2312[C], 1[S],
GLN22CG611[N], 3[C], 1[O], 1[S],
GLN22OE1311[S], 2[C],
GLN22CD411[S], 2[C], 1[N],
SER24OG912[N], 6[C], 1[O],
GLN25NE2111[C],
GLN25CD111[C],
GLN25OE1312[C], 1[S],
HIS100CG815[C], 2[N], 1[O],
HIS100NE21116[C], 2[N], 3[O],
HIS100CE11112[O], 1[S], 2[N], 6[C],
HIS100CD2711[O], 4[C], 2[N],
HIS100ND11112[N], 6[C], 2[O], 1[S],
SER101OG513[C], 1[N], 1[O],
MET141SD711[O], 1[S], 1[N], 4[C],
MET141CG611[N], 3[C], 1[O], 1[S],
MET141CE611[N], 3[C], 1[O], 1[S],
LEU145CG2719[O], 5[N], 13[C],
LEU145CD23319[O], 16[C], 2[P], 6[N],
LEU145CD131111[O], 13[C], 3[P], 4[N],
ASN171OD1715[C], 1[N], 1[O],
ASN171CG915[C], 2[N], 1[S], 1[O],
ASN171ND21012[N], 6[C], 1[O], 1[S],
ASN173OD11113[O], 2[N], 6[C],
ASN173CG1313[O], 8[C], 2[N],
ASN173ND21812[N], 11[C], 4[O], 1[S],
SER174OG1115[N], 5[C], 1[O],
GLN175OE1212[N],
GLN175NE2212[N],
GLN175CG412[N], 2[C],
GLN175CD311[C], 2[N],
GLN177OE127113[C], 1[P], 5[N], 1[S], 7[O],
GLN177CD2918[O], 6[N], 1[P], 14[C],
GLN177CG2516[N], 14[C], 5[O],
GLN177NE233110[O], 6[N], 2[P], 15[C],
VAL179CG21411[S], 3[O], 8[C], 2[N],
VAL179CG1911[O], 1[S], 2[N], 5[C],
LYS200CD211[O], 1[C],
LYS200CG714[C], 1[N], 2[O],
ILE202CG1312[C], 1[O],
ILE202CG2111[C],
ILE202CD11311[N], 9[C], 3[O],
LEU204CD21712[N], 11[C], 3[O], 1[S],
LEU204CD11318[C], 2[N], 1[S], 2[O],
LEU204CG1318[C], 2[N], 1[S], 2[O],
PRO205CD211[S], 1[C],
PRO205CG211[C], 1[S],
VAL206CG2611[N], 3[C], 1[O], 1[S],
VAL206CG1311[S], 2[C],
SER210OG511[S], 1[O], 2[C], 1[N],
HIS211CE1511[O], 3[C], 1[N],
HIS211CG111[O],
HIS211NE2111[C],
HIS211ND1511[O], 1[N], 3[C],
VAL265CG2111[O],
VAL265CG1111[O],
THR268OG1111[N],
THR289OG1513[O], 1[P], 1[C],
VAL290CG11915[O], 11[C], 2[N], 1[P],
VAL290CG218110[C], 2[N], 1[P], 5[O],
LEU291CD2812[N], 4[C], 2[O],
ASN293OD11217[O], 2[P], 3[C],
ASN293ND21819[O], 2[P], 1[N], 6[C],
ASN293CG1619[O], 2[P], 5[C],
LEU294CD11214[O], 1[N], 7[C],
LEU294CG1617[C], 1[P], 3[N], 5[O],
LEU294CD221112[C], 1[P], 3[N], 5[O],
ARG297CD2317[O], 9[C], 2[P], 5[N],
ARG297CZ29111[C], 3[P], 5[N], 10[O],
ARG297CG1514[O], 5[C], 1[P], 5[N],
ARG297NE28111[C], 2[P], 5[N], 10[O],
LEU298CD2111[N],
LEU298CG111[N],
Total = 73



Download csv file of statistical distribution of contacts