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: XMP_A_3(3UOW) / Model_6(3UOW/A) = [5.9] Download1311.8422.84MTTNTQITEDRILILDFGSQYSQLIARRVREAGVYSEMYAFDMSEEDIRAFKPNGIILSGGPESVHEEGSPRAPQVVFELGVPVLGICYGLQTMSEQLGGKVELGTVHEFGYAEVDIVKRDQLIGNLQDRENQLHVWMSHGDKVSQIPEGFTITASTPSCPVAAVSDETRRFYGVQFHPEVTHTAKGEELLSNFVHKICGCGGLWTPEHIIDLRVEQLREQIGNEKVLLGLSGGVDSSVVAALLHKAIGDQLTCVFVDNGLLRLNEGDQVMQMFAENMGIRVIRADAEARFLNALAGVTDPEAKRKIIGREFIEVFAEEARKLDGVKFLAQGTIYPDVIESAASKQGKAHVIKSHHNVGGLPDDLAFELVEPLRDLFKDEVRKLGTTLGLPHSMIYRHPFPGPGLGVRILGEVKKEYADILRLADDIFMQELRDSGWYGKTAQAFAVFQPVKSVGVVGDGRRYAWVIALRAVETVDFMTARFAHLPYELVDKISTRIMNEIKDVSRVVYDVSSKPPATIEWE
Consensus
[pKd Mean = 5.90]		-1311
(s=0)		22
(s=0)		MTTNTQITEDRILILDFGSQYSQLIARRVREAGVYSEMYAFDMSEEDIRAFKPNGIILSGGPESVHEEGSPRAPQVVFELGVPVLGICYGLQTMSEQLGGKVELGTVHEFGYAEVDIVKRDQLIGNLQDRENQLHVWMSHGDKVSQIPEGFTITASTPSCPVAAVSDETRRFYGVQFHPEVTHTAKGEELLSNFVHKICGCGGLWTPEHIIDLRVEQLREQIGNEKVLLGLSGGVDSSVVAALLHKAIGDQLTCVFVDNGLLRLNEGDQVMQMFAENMGIRVIRADAEARFLNALAGVTDPEAKRKIIGREFIEVFAEEARKLDGVKFLAQGTIYPDVIESAASKQGKAHVIKSHHNVGGLPDDLAFELVEPLRDLFKDEVRKLGTTLGLPHSMIYRHPFPGPGLGVRILGEVKKEYADILRLADDIFMQELRDSGWYGKTAQAFAVFQPVKSVGVVGDGRRYAWVIALRAVETVDFMTARFAHLPYELVDKISTRIMNEIKDVSRVVYDVSSKPPATIEWE



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]
PRO301O111[O],
GLU302OE1311[O], 1[C], 1[N],
LYS304C111[O],
ARG305O311[N], 1[C], 1[O],
ARG305C211[O], 1[C],
ARG305CB511[O], 2[C], 2[N],
ARG305CG1112[O], 5[C], 4[N],
ARG305N111[O],
ARG305CD1112[O], 4[N], 5[C],
ARG305NE1214[N], 5[C], 3[O],
ARG305CZ1717[C], 4[N], 1[P], 5[O],
ARG305CA311[C], 1[N], 1[O],
LYS306N111[O],
ILE308CD1111[O],
ILE308CG2211[O], 1[N],
ILE308CB111[O],
ASP337OD1111[O],
GLU340OE1111[O],
GLU340OE2412[O], 2[C],
GLU340CD111[O],
LYS378NZ815[C], 3[O],
LYS378CE412[O], 2[C],
LYS378CD111[O],
HIS398C212[O],
HIS398CB111[O],
PRO399CB1015[C], 2[N], 3[O],
PRO399CA714[C], 3[O],
PRO399CD612[O], 4[C],
PRO399CG911[N], 5[C], 3[O],
PRO399C1013[O], 5[C], 2[N],
PRO399O912[N], 4[C], 3[O],
PRO399N412[O], 2[C],
PHE400CE1111[O],
PHE400C1618[C], 4[N], 4[O],
PHE400CG111[O],
PHE400N1115[C], 2[N], 4[O],
PHE400CB311[N], 2[O],
PHE400CD1111[O],
PHE400O1514[O], 8[C], 3[N],
PHE400CA1012[N], 5[C], 3[O],
PRO401O1414[N], 7[C], 3[O],
PRO401CA1814[N], 9[C], 5[O],
PRO401CB20110[C], 4[N], 6[O],
PRO401CD1815[O], 4[N], 9[C],
PRO401N1815[O], 9[C], 4[N],
PRO401CG1919[C], 4[N], 6[O],
PRO401C1514[O], 4[N], 7[C],
GLY402O712[O], 3[C], 2[N],
GLY402C1012[O], 4[N], 4[C],
GLY402CA1112[O], 5[C], 4[N],
GLY402N1514[O], 4[N], 7[C],
PRO403C912[O], 3[N], 4[C],
PRO403CG1417[C], 4[N], 3[O],
PRO403CD1313[O], 6[C], 4[N],
PRO403N1112[O], 5[C], 4[N],
PRO403CB1115[C], 4[N], 2[O],
PRO403O311[O], 1[C], 1[N],
PRO403CA912[O], 3[N], 4[C],
GLY404N912[O], 4[C], 3[N],
GLY404CA411[O], 1[N], 2[C],
GLY404O512[O], 2[C], 1[N],
VAL407CA311[O], 1[C], 1[N],
VAL407CG21413[O], 4[N], 7[C],
VAL407CB912[O], 3[N], 4[C],
VAL407N111[O],
VAL407CG11011[O], 4[N], 5[C],
VAL407O111[N],
ARG408CG111[O],
ARG408CD111[O],
ARG408CZ513[C], 2[O],
ARG408NE411[O], 1[N], 2[C],
ALA442C111[O],
ALA442CB111[O],
ALA442O111[O],
GLN443NE21616[O], 7[C], 1[P], 2[N],
GLN443CA311[C], 2[O],
GLN443CD1415[O], 1[P], 1[N], 7[C],
GLN443C111[O],
GLN443CG914[O], 5[C],
GLN443O111[O],
GLN443CB612[O], 4[C],
GLN443N111[O],
GLN443OE11713[N], 1[P], 8[C], 5[O],
PHE445CE1814[O], 4[C],
PHE445CG211[O], 1[C],
PHE445CD2111[O],
PHE445CE2412[O], 2[C],
PHE445CZ811[P], 3[C], 4[O],
PHE445CD1412[O], 2[C],
PHE445CB111[O],
ARG470NE111[O],
VAL472CG2211[C], 1[O],
THR474CG2613[C], 3[O],
THR474OG1411[O], 3[C],
THR474CB413[C], 1[O],
ASP476O713[C], 4[O],
ASP476C212[C],
PHE477CA915[O], 1[P], 3[C],
PHE477CE21115[C], 1[N], 1[P], 4[O],
PHE477CE12016[O], 10[C], 1[P], 3[N],
PHE477CB612[C], 4[O],
PHE477CG1014[C], 1[P], 5[O],
PHE477CZ1816[O], 1[P], 3[N], 8[C],
PHE477CD11515[O], 1[P], 2[N], 7[C],
PHE477N212[C],
PHE477O1216[O], 1[P], 5[C],
PHE477C915[O], 3[C], 1[P],
PHE477CD2714[O], 2[C], 1[P],
MET478CA612[C], 1[P], 3[O],
MET478C311[C], 1[P], 1[O],
MET478SD511[P], 1[C], 3[O],
MET478CG212[O],
MET478CE311[P], 2[O],
MET478O211[O], 1[C],
MET478N613[O], 2[C], 1[P],
MET478CB211[C], 1[O],
THR479N211[O], 1[C],
THR479CA111[O],
THR479C111[O],
ALA480CB312[O], 1[C],
ALA480N111[O],
LYS514CA111[O],
LYS514CG614[O], 1[P], 1[C],
LYS514NZ1416[O], 1[P], 1[N], 6[C],
LYS514CE915[O], 3[C], 1[P],
LYS514CB611[P], 1[C], 4[O],
LYS514N111[O],
LYS514C111[O],
LYS514CD911[P], 3[C], 5[O],
LYS514O111[O],
ALA517CB111[O],
ALA517O511[P], 4[O],
ALA517CA212[O],
ALA517C411[P], 3[O],
THR518N511[P], 4[O],
THR518C911[P], 4[C], 4[O],
THR518CB1014[O], 1[P], 5[C],
THR518CG2614[O], 1[P], 1[C],
THR518CA711[P], 2[C], 4[O],
THR518OG1714[O], 2[C], 1[P],
THR518O614[O], 1[C], 1[P],
ILE519CD11511[N], 1[P], 6[C], 7[O],
ILE519C1511[N], 1[P], 6[C], 7[O],
ILE519CG11511[N], 1[P], 6[C], 7[O],
ILE519O1116[O], 4[C], 1[P],
ILE519N1517[O], 1[P], 1[N], 6[C],
ILE519CB1616[C], 2[N], 1[P], 7[O],
ILE519CA1511[N], 1[P], 6[C], 7[O],
ILE519CG21511[N], 1[P], 6[C], 7[O],
GLU520C1115[O], 1[P], 1[N], 4[C],
GLU520O914[O], 1[P], 1[N], 3[C],
GLU520OE22113[N], 1[P], 10[C], 7[O],
GLU520CG23110[C], 4[N], 1[P], 8[O],
GLU520CA1717[O], 7[C], 1[P], 2[N],
GLU520CB2118[O], 1[P], 3[N], 9[C],
GLU520CD2113[N], 1[P], 9[C], 8[O],
GLU520OE11515[O], 1[P], 2[N], 7[C],
GLU520N1812[N], 1[P], 8[C], 7[O],
TRP521C211[P], 1[O],
TRP521O211[P], 1[O],
TRP521CA211[O], 1[P],
TRP521N611[P], 1[C], 4[O],
TRP521CB111[O],
GLU522N211[P], 1[O],
GLU522C814[O], 2[C], 1[P], 1[N],
GLU522O713[O], 1[P], 1[N], 2[C],
GLU522CA211[N], 1[O],
Total = 167



Download csv file of statistical distribution of contacts