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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: PMT_E_5(1U7Z) / Model_3(1U7Z/A) = [10.1] Download1074.9422.32MSFDLSVIPHKNIVLAVTGGIAAYKSAILVRRLKDYGFDVRVVMTHGAQAFITPLTFQALSGNPVHTELLDPEAEAGMGHIELARWADLLLVAPASCDTLAKFANGLADDLLSTLFLATKAPVWVAPAMNQQMWAAKATQRNLQTLVEDGVHVIMPDAGEQACGDVGLGRMPEPEEIARQVAGYFHQAQRAIAEKFGLLAGKRVVITAGPTREAIDPVRYISNHSTGKMGFALAAACYAAGAKVTLIAGPVSLDTPNGVQRVNVASARQMLDVSMESLETGCDIFIATAAVADYRVAEVAEHKIKKAGDELNVSLVKNPDIVATIAAQEKRPFMVGFAAETQNVEEYAAGKLVAKKLDMIACNDVSRADIGFASDENAMTVFFAESYHMKKRELEKASKQEISQQLVEAISDALRRK
Complex: C5P_K_11(1U80) / Model_19(1U80/C) = [4.6] Download738.1426.58MSFDLSVIPHKNIVLAVTGGIAAYKSAILVRRLKDYGFDVRVVMTHGAQAFITPLTFQALSGNPVHTELLDPEAEAGMGHIELARWADLLLVAPASCDTLAKFANGLADDLLSTLFLATKAPVWVAPAMNQQMWAAKATQRNLQTLVEDGVHVIMPDAGEQACGDVGLGRMPEPEEIARQVAGYFHQAQRAIAEKFGLLAGKRVVITAGPTREAIDPVRYISNHSTGKMGFALAAACYAAGAKVTLIAGPVSLDTPNGVQRVNVASARQMLDVSMESLETGCDIFIATAAVADYRVAEVAEHKIKKAGDELNVSLVKNPDIVATIAAQEKRPFMVGFAAETQNVEEYAAGKLVAKKLDMIACNDVSRADIGFASDENAMTVFFAESYHMKKRELEKASKQEISQQLVEAISDALRRK
Complex: CTP_B_8(1U7W) / Model_23(1U7W/B) = [4.5] Download1364.3728.41MSFDLSVIPHKNIVLAVTGGIAAYKSAILVRRLKDYGFDVRVVMTHGAQAFITPLTFQALSGNPVHTELLDPEAEAGMGHIELARWADLLLVAPASCDTLAKFANGLADDLLSTLFLATKAPVWVAPAMNQQMWAAKATQRNLQTLVEDGVHVIMPDAGEQACGDVGLGRMPEPEEIARQVAGYFHQAQRAIAEKFGLLAGKRVVITAGPTREAIDPVRYISNHSTGKMGFALAAACYAAGAKVTLIAGPVSLDTPNGVQRVNVASARQMLDVSMESLETGCDIFIATAAVADYRVAEVAEHKIKKAGDELNVSLVKNPDIVATIAAQEKRPFMVGFAAETQNVEEYAAGKLVAKKLDMIACNDVSRADIGFASDENAMTVFFAESYHMKKRELEKASKQEISQQLVEAISDALRRK
Consensus
[pKd Mean = 6.40]		-1059
(s=255)		25
(s=2)		MSFDLSVIPHKNIVLAVTGGIAAYKSAILVRRLKDYGFDVRVVMTHGAQAFITPLTFQALSGNPVHTELLDPEAEAGMGHIELARWADLLLVAPASCDTLAKFANGLADDLLSTLFLATKAPVWVAPAMNQQMWAAKATQRNLQTLVEDGVHVIMPDAGEQACGDVGLGRMPEPEEIARQVAGYFHQAQRAIAEKFGLLAGKRVVITAGPTREAIDPVRYISNHSTGKMGFALAAACYAAGAKVTLIAGPVSLDTPNGVQRVNVASARQMLDVSMESLETGCDIFIATAAVADYRVAEVAEHKIKKAGDELNVSLVKNPDIVATIAAQEKRPFMVGFAAETQNVEEYAAGKLVAKKLDMIACNDVSRADIGFASDENAMTVFFAESYHMKKRELEKASKQEISQQLVEAISDALRRK



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]
THR207CA434[O],
THR207CG21832[N], 7[O], 9[C],
THR207CB2239[O], 4[N], 9[C],
THR207OG13737[N], 12[O], 18[C],
THR207N333[O],
THR207C433[O], 1[N],
THR207O1236[O], 1[N], 5[C],
ALA208N434[O],
ALA208O131[O],
ALA208CB331[P], 2[O],
ALA208CA832[C], 1[P], 4[O], 1[N],
ALA208C532[O], 1[N], 1[C], 1[P],
GLY209O1731[N], 6[O], 1[P], 9[C],
GLY209CA933[C], 1[P], 4[O], 1[N],
GLY209N1231[P], 6[C], 1[N], 4[O],
GLY209C931[N], 3[O], 1[P], 4[C],
PRO210CB231[C], 1[O],
PRO210CD431[P], 1[C], 2[O],
PRO210N532[C], 1[P], 2[O],
PRO210CG131[O],
PRO210CA432[O], 2[C],
THR211CG2433[N], 1[C],
THR211OG11034[N], 6[C],
ASN223CB934[O], 4[C], 1[P],
ASN223O131[C],
ASN223ND232311[O], 5[N], 14[C], 2[P],
ASN223OD1732[C], 5[O],
ASN223CG1231[P], 5[C], 6[O],
ASN223C131[C],
ASN223CA332[C], 1[O],
HIS224N331[O], 2[C],
HIS224O1831[P], 9[C], 1[N], 7[O],
HIS224CA733[C], 1[P], 3[O],
HIS224CB733[O], 1[P], 3[C],
HIS224C1231[N], 4[O], 1[P], 6[C],
SER225N1031[P], 5[C], 4[O],
SER225CB1831[P], 9[C], 1[N], 7[O],
SER225O833[C], 1[P], 4[O],
SER225C1035[C], 1[P], 4[O],
SER225OG1837[O], 1[N], 9[C], 1[P],
SER225CA1331[P], 7[C], 1[N], 4[O],
THR226OG1934[C], 1[P], 4[O],
THR226CB732[C], 1[P], 4[O],
THR226N1034[O], 1[P], 5[C],
THR226O631[P], 1[C], 4[O],
THR226CA833[C], 1[P], 4[O],
THR226C834[O], 3[C], 1[P],
THR226CG2631[C], 1[P], 4[O],
GLY227CA934[O], 1[P], 4[C],
GLY227C934[C], 1[P], 4[O],
GLY227O931[P], 4[C], 4[O],
GLY227N1034[O], 5[C], 1[P],
LYS228CD531[P], 4[O],
LYS228O631[P], 1[C], 4[O],
LYS228C933[C], 1[P], 5[O],
LYS228CE331[P], 2[O],
LYS228CG631[C], 1[P], 4[O],
LYS228N934[O], 1[P], 4[C],
LYS228NZ332[O], 1[P],
LYS228CB634[O], 1[C], 1[P],
LYS228CA734[O], 1[P], 2[C],
MET229CE633[C], 3[O],
MET229CG1531[N], 6[O], 1[P], 7[C],
MET229N1231[P], 6[C], 5[O],
MET229C1335[O], 1[N], 6[C], 1[P],
MET229CB1436[C], 1[P], 6[O], 1[N],
MET229CA1331[P], 6[C], 1[N], 5[O],
MET229SD1436[C], 1[P], 6[O], 1[N],
MET229O834[O], 1[P], 3[C],
GLY230CA1031[N], 4[O], 1[P], 4[C],
GLY230C232[O],
GLY230N1331[P], 6[C], 1[N], 5[O],
PHE231CE1131[O],
PHE231N332[O], 1[P],
PHE231CA131[O],
PHE231CB131[O],
PHE231CD1232[O],
ALA232N131[O],
ALA232CB131[O],
LEU233CD1231[C], 1[O],
VAL251CG1331[P], 2[O],
VAL251CB131[O],
LEU253CD2131[O],
LEU253CD1433[O], 1[P],
LEU253CG232[O],
ALA267CA933[C], 6[N],
ALA267O936[N], 3[C],
ALA267C736[N], 1[C],
ALA267CB1539[C], 6[N],
MET270CG933[C], 3[N], 3[O],
MET270CB131[N],
MET270SD2738[N], 6[O], 13[C],
MET270CE434[O],
LEU271CD1932[C], 4[N], 3[O],
LEU271CB333[N],
SER274OG333[O],
PHE285CZ2038[C], 3[N], 9[O],
PHE285CD2838[O],
PHE285CE22734[N], 11[O], 12[C],
PHE285CE1434[O],
ILE286O1033[C], 7[O],
ILE286C1739[C], 8[O],
ILE286CA434[O],
ILE286CG2333[O],
ALA287CA41323[C], 6[N], 12[O],
ALA287O5031[P], 26[C], 4[N], 19[O],
ALA287N29314[C], 3[N], 12[O],
ALA287C49326[C], 18[O], 5[N],
ALA287CB53330[C], 16[O], 7[N],
THR288C5634[N], 20[O], 2[P], 30[C],
THR288CA46324[C], 4[N], 18[O],
THR288N45325[C], 16[O], 4[N],
THR288CB29316[C], 1[P], 11[O], 1[N],
THR288OG123312[C], 1[N], 10[O],
THR288O52326[C], 2[P], 20[O], 4[N],
THR288CG22331[N], 9[O], 13[C],
ALA289N54319[O], 6[N], 28[C], 1[P],
ALA289C6637[N], 21[O], 2[P], 36[C],
ALA289CB46326[C], 13[O], 7[N],
ALA289CA57331[C], 1[P], 18[O], 7[N],
ALA289O7533[P], 35[C], 10[N], 27[O],
ALA290N66335[C], 2[P], 22[O], 7[N],
ALA290C60330[C], 2[P], 18[O], 10[N],
ALA290O40322[C], 1[P], 7[O], 10[N],
ALA290CB4334[N], 15[O], 2[P], 22[C],
ALA290CA6932[P], 36[C], 7[N], 24[O],
VAL291CB6239[N], 21[O], 2[P], 30[C],
VAL291N6532[P], 31[C], 10[N], 22[O],
VAL291CA5732[P], 29[C], 9[N], 17[O],
VAL291C52324[C], 2[P], 17[O], 9[N],
VAL291CG262321[O], 10[N], 30[C], 1[P],
VAL291O68325[O], 9[N], 29[C], 5[P],
VAL291CG143321[C], 9[N], 13[O],
ALA292C2739[N], 6[O], 12[C],
ALA292O2539[N], 4[O], 12[C],
ALA292CB933[N], 6[C],
ALA292CA2334[O], 9[N], 10[C],
ALA292N3438[O], 9[N], 17[C],
ASP293N2939[N], 7[O], 2[P], 11[C],
ASP293C1632[O], 5[N], 9[C],
ASP293CB32312[O], 7[N], 9[C], 4[P],
ASP293CG5035[P], 15[C], 9[N], 21[O],
ASP293CA3239[O], 9[N], 12[C], 2[P],
ASP293O1435[N], 2[O], 7[C],
ASP293OD164325[C], 5[P], 25[O], 9[N],
ASP293OD246319[O], 9[N], 13[C], 5[P],
TYR294N1036[C], 3[N], 1[O],
TYR294CZ131[O],
TYR294CE2131[O],
TYR294CA333[N],
TYR294CD2131[O],
LYS317CA232[N],
LYS317CD431[O], 3[N],
LYS317NZ1532[N], 7[O], 2[P], 4[C],
LYS317C333[N],
LYS317CG733[N], 1[O], 3[C],
LYS317CE1533[N], 6[O], 2[P], 4[C],
LYS317O333[N],
LYS317CB232[N],
ASN318CA1236[N], 6[C],
ASN318C1336[N], 7[C],
ASN318N935[C], 4[N],
ASN318OD11034[N], 6[C],
ASN318O1736[N], 11[C],
ASN318CG935[C], 4[N],
ASN318ND2333[N],
ASN318CB1337[C], 6[N],
PRO319C24312[C], 9[N], 3[O],
PRO319CA1836[N], 3[O], 9[C],
PRO319CD933[C], 6[N],
PRO319N1539[C], 6[N],
PRO319CG1131[O], 6[N], 4[C],
PRO319CB1235[C], 1[O], 6[N],
PRO319O2839[N], 4[O], 15[C],
ASP320CA39320[C], 1[P], 9[O], 9[N],
ASP320OD260320[O], 9[N], 27[C], 4[P],
ASP320CG62323[O], 9[N], 27[C], 3[P],
ASP320CB44321[C], 2[P], 12[O], 9[N],
ASP320O30315[C], 9[N], 6[O],
ASP320OD16139[N], 22[O], 3[P], 27[C],
ASP320N29315[C], 9[N], 5[O],
ASP320C36319[C], 8[O], 9[N],
ILE321CB36318[C], 9[O], 9[N],
ILE321O28313[C], 6[O], 9[N],
ILE321N41323[C], 9[O], 9[N],
ILE321CD13036[O], 9[N], 15[C],
ILE321CG234318[C], 7[O], 9[N],
ILE321CG13337[O], 9[N], 17[C],
ILE321C4239[N], 12[O], 21[C],
ILE321CA36318[C], 9[N], 9[O],
VAL322CB51327[C], 9[N], 15[O],
VAL322CG162327[C], 4[P], 22[O], 9[N],
VAL322N49313[O], 9[N], 27[C],
VAL322O2237[C], 9[O], 6[N],
VAL322CG242313[O], 6[N], 23[C],
VAL322CA48327[C], 12[O], 9[N],
VAL322C42312[O], 7[N], 23[C],
ALA323C933[O], 3[N], 3[C],
ALA323N4839[N], 14[O], 25[C],
ALA323CA2436[N], 6[O], 12[C],
ALA323CB32316[C], 7[O], 9[N],
THR324N933[C], 3[O], 3[N],
THR324OG11135[N], 3[O], 3[C],
THR324CA333[O],
THR324CB633[O], 3[N],
ILE325CB333[O],
ILE325N333[O],
ILE325CG1333[O],
MET334CG131[O],
MET334SD333[O],
MET334CE333[O],
VAL335CB333[O],
VAL335C2139[O], 12[C],
VAL335O24312[C], 12[O],
VAL335N333[O],
VAL335CA333[O],
VAL335CG1333[O],
GLY336C39319[C], 1[P], 15[O], 4[N],
GLY336O31317[C], 1[N], 13[O],
GLY336N2239[O], 13[C],
GLY336CA3834[N], 16[O], 18[C],
PHE337C57325[C], 4[P], 24[O], 4[N],
PHE337CA5034[N], 21[O], 3[P], 22[C],
PHE337CG4231[N], 16[O], 1[P], 24[C],
PHE337N55324[O], 4[N], 24[C], 3[P],
PHE337CD228317[C], 1[N], 10[O],
PHE337CE21831[N], 7[O], 10[C],
PHE337CZ1337[C], 5[O], 1[N],
PHE337CB5032[P], 24[C], 4[N], 20[O],
PHE337O64330[O], 4[N], 26[C], 4[P],
PHE337CD137313[O], 1[N], 23[C],
PHE337CE121312[C], 1[N], 8[O],
ALA338O33313[O], 1[N], 17[C], 2[P],
ALA338CA50324[O], 1[N], 21[C], 4[P],
ALA338C43320[C], 3[P], 19[O], 1[N],
ALA338N5031[N], 24[O], 3[P], 22[C],
ALA338CB4031[N], 20[O], 4[P], 15[C],
ALA339N4834[P], 20[C], 1[N], 23[O],
ALA339CA3633[P], 17[C], 1[N], 15[O],
ALA339O3331[N], 17[O], 5[P], 10[C],
ALA339C30311[C], 3[P], 15[O], 1[N],
ALA339CB3933[P], 18[C], 1[N], 17[O],
GLU340OE22835[P], 6[C], 17[O],
GLU340CG1033[P], 7[O],
GLU340C131[O],
GLU340O232[O],
GLU340N1532[P], 5[C], 1[N], 7[O],
GLU340CA731[P], 6[O],
GLU340CD23315[O], 5[P], 3[C],
GLU340CB534[O], 1[P],
GLU340OE11734[P], 13[O],
THR341N131[O],
TYR347CB232[O],
TYR347CG131[O],
TYR347C131[O],
TYR347CD1131[O],
TYR347O535[O],
ALA348CA131[O],
LYS351CA1432[P], 4[C], 8[O],
LYS351C734[O], 3[C],
LYS351CE46324[O], 17[C], 5[P],
LYS351NZ4931[N], 24[O], 5[P], 19[C],
LYS351O1034[C], 6[O],
LYS351N131[O],
LYS351CD5035[P], 19[C], 1[N], 25[O],
LYS351CG39322[O], 1[N], 11[C], 5[P],
LYS351CB2634[P], 8[C], 14[O],
ALA354CB131[O],
LYS355CD62327[C], 4[P], 24[O], 7[N],
LYS355CG43318[C], 3[P], 19[O], 3[N],
LYS355CB1739[C], 1[P], 7[O],
LYS355NZ7335[P], 28[C], 9[N], 31[O],
LYS355N131[O],
LYS355CE7035[P], 27[C], 9[N], 29[O],
LYS355CA131[O],
LEU357CD12439[O], 15[C],
LEU357CB433[O], 1[C],
LEU357CG16310[C], 6[O],
LEU357CD219310[C], 9[O],
MET359O333[O],
ILE360CG12431[P], 10[C], 13[O],
ILE360CA333[O],
ILE360CD129311[C], 3[P], 15[O],
ILE360CB733[O], 4[C],
ILE360C131[O],
ALA361O2431[P], 13[C], 1[N], 9[O],
ALA361CA331[C], 2[O],
ALA361C833[C], 4[O], 1[N],
ALA361N534[O], 1[C],
ALA361CB532[C], 2[O], 1[N],
CYS362C533[C], 2[O],
CYS362N331[C], 2[O],
CYS362O232[O],
CYS362CB131[O],
CYS362CA332[O], 1[C],
ASN363OD11631[P], 8[C], 1[N], 6[O],
ASN363N835[C], 1[N], 2[O],
ASN363CG1338[C], 1[N], 4[O],
ASN363O1035[C], 1[N], 4[O],
ASN363CA634[C], 2[O],
ASN363CB1137[C], 3[O], 1[N],
ASN363ND21631[P], 9[C], 1[N], 5[O],
ASN363C634[C], 2[O],
ASP364O432[O], 2[C],
ASP364N331[C], 2[O],
ASP364CA231[O], 1[C],
ASP364C231[O], 1[C],
VAL365C131[C],
VAL365N231[C], 1[O],
VAL365CG11631[N], 5[O], 1[P], 9[C],
VAL365O131[C],
VAL365CB936[C], 3[O],
VAL365CA331[O], 2[C],
VAL365CG2835[C], 3[O],
ILE370O231[C], 1[O],
ILE370C331[O], 2[C],
GLY371O1336[C], 1[P], 6[O],
GLY371N1031[P], 5[C], 4[O],
GLY371C1331[P], 6[C], 6[O],
GLY371CA1331[P], 6[C], 6[O],
PHE372CB1531[P], 7[C], 1[N], 6[O],
PHE372N1431[N], 6[O], 1[P], 6[C],
PHE372CD11631[N], 6[O], 1[P], 8[C],
PHE372CG1331[P], 6[C], 6[O],
PHE372CE11131[P], 7[C], 3[O],
PHE372CA1436[C], 1[P], 6[O], 1[N],
PHE372C1034[O], 1[P], 5[C],
PHE372O934[C], 1[P], 4[O],
PHE372CZ532[O], 3[C],
PHE372CE2632[O], 3[C], 1[P],
PHE372CD2934[O], 4[C], 1[P],
ALA373CB531[P], 4[O],
ALA373CA734[O], 1[P], 2[C],
ALA373N931[P], 4[C], 4[O],
ALA373C634[O], 1[C], 1[P],
ALA373O433[O], 1[P],
SER374CA431[P], 3[O],
SER374O631[C], 1[P], 4[O],
SER374CB431[P], 3[O],
SER374C433[O], 1[P],
SER374N631[P], 1[C], 4[O],
SER374OG131[O],
ASP375O131[O],
ASP375N232[O],
ASP375C131[O],
ASP375CA131[O],
GLU376O631[P], 2[C], 3[O],
GLU376N131[O],
GLU376C131[O],
ASN377OD11134[O], 1[P], 6[C],
ASN377CA331[O], 2[C],
ASN377CG1235[O], 6[C], 1[P],
ASN377CB831[P], 4[C], 3[O],
ASN377ND21431[N], 6[O], 1[P], 6[C],
ALA378C131[O],
ALA378N131[O],
ALA378O231[C], 1[O],
MET379CG131[O],
MET379SD131[O],
MET379CA131[O],
MET379CB131[O],
GLU395CG731[C], 1[P], 5[O],
GLU395CD933[C], 1[P], 5[O],
GLU395OE1631[C], 1[P], 4[O],
GLU395CA131[O],
GLU395CB431[C], 1[P], 2[O],
GLU395OE21131[P], 5[C], 5[O],
ILE402CD1131[O],
Total = 368



Download csv file of statistical distribution of contacts