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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: CDS_E_9(2Z2M) / Model_24(2Z2M/E) = [4.4] Download1399.2918.82MKWTKRVIRYATKNRKSPAENRRRVGKSLSLLSVFVFAIFLVNFAVIIGTGTRFGTDLAKEAKKVHQTTRTVPAKRGTIYDRNGVPIAEDATSYNVYAVIDENYKSATGKILYVEKTQFNKVAEVFHKYLDMEESYVREQLSQPNLKQVSFGAKGNGITYANMMSIKKELEAAEVKGIDFTTSPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSGMESSLNSILAGTDGIITYEKDRLGNIVPGTEQVSQRTMDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATLVSAKTGEILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSTMKVMMLAAAIDNNTFPGGEVFNSSELKIADATIRDWDVNEGLTGGRMMTFSQGFAHSSNVGMTLLEQKMGDATWLDYLNRFKFGVPTRFGLTDEYAGQLPADNIVNIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFISAIYDPNDQTARKSQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVPGQNVALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPEHYSGIQLGEFANPILERASAMKDSLNLQTTAKALEQVSQQSPYPMPSVKDISPGDLAEELRRNLVQPIVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKAEEVPDMYGWTKETAETLAKWLNIELEFQGSGSTVQKQDVRANTAIKDIKKITLTLGD
Complex: BMG_B_8(2ZC3) / Model_7(2ZC3/B) = [4.3] Download1149.0117.85MKWTKRVIRYATKNRKSPAENRRRVGKSLSLLSVFVFAIFLVNFAVIIGTGTRFGTDLAKEAKKVHQTTRTVPAKRGTIYDRNGVPIAEDATSYNVYAVIDENYKSATGKILYVEKTQFNKVAEVFHKYLDMEESYVREQLSQPNLKQVSFGAKGNGITYANMMSIKKELEAAEVKGIDFTTSPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSGMESSLNSILAGTDGIITYEKDRLGNIVPGTEQVSQRTMDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATLVSAKTGEILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSTMKVMMLAAAIDNNTFPGGEVFNSSELKIADATIRDWDVNEGLTGGRMMTFSQGFAHSSNVGMTLLEQKMGDATWLDYLNRFKFGVPTRFGLTDEYAGQLPADNIVNIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFISAIYDPNDQTARKSQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVPGQNVALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPEHYSGIQLGEFANPILERASAMKDSLNLQTTAKALEQVSQQSPYPMPSVKDISPGDLAEELRRNLVQPIVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKAEEVPDMYGWTKETAETLAKWLNIELEFQGSGSTVQKQDVRANTAIKDIKKITLTLGD
Complex: TEB_B_8(2ZC4) / Model_8(2ZC4/B) = [3.2] Download1330.7324.52MKWTKRVIRYATKNRKSPAENRRRVGKSLSLLSVFVFAIFLVNFAVIIGTGTRFGTDLAKEAKKVHQTTRTVPAKRGTIYDRNGVPIAEDATSYNVYAVIDENYKSATGKILYVEKTQFNKVAEVFHKYLDMEESYVREQLSQPNLKQVSFGAKGNGITYANMMSIKKELEAAEVKGIDFTTSPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSGMESSLNSILAGTDGIITYEKDRLGNIVPGTEQVSQRTMDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATLVSAKTGEILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSTMKVMMLAAAIDNNTFPGGEVFNSSELKIADATIRDWDVNEGLTGGRMMTFSQGFAHSSNVGMTLLEQKMGDATWLDYLNRFKFGVPTRFGLTDEYAGQLPADNIVNIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFISAIYDPNDQTARKSQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVPGQNVALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPEHYSGIQLGEFANPILERASAMKDSLNLQTTAKALEQVSQQSPYPMPSVKDISPGDLAEELRRNLVQPIVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKAEEVPDMYGWTKETAETLAKWLNIELEFQGSGSTVQKQDVRANTAIKDIKKITLTLGD
Consensus
[pKd Mean = 3.97]
-1293
(s=105)
20
(s=2)
MKWTKRVIRYATKNRKSPAENRRRVGKSLSLLSVFVFAIFLVNFAVIIGTGTRFGTDLAKEAKKVHQTTRTVPAKRGTIYDRNGVPIAEDATSYNVYAVIDENYKSATGKILYVEKTQFNKVAEVFHKYLDMEESYVREQLSQPNLKQVSFGAKGNGITYANMMSIKKELEAAEVKGIDFTTSPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSGMESSLNSILAGTDGIITYEKDRLGNIVPGTEQVSQRTMDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATLVSAKTGEILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSTMKVMMLAAAIDNNTFPGGEVFNSSELKIADATIRDWDVNEGLTGGRMMTFSQGFAHSSNVGMTLLEQKMGDATWLDYLNRFKFGVPTRFGLTDEYAGQLPADNIVNIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFISAIYDPNDQTARKSQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVPGQNVALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPEHYSGIQLGEFANPILERASAMKDSLNLQTTAKALEQVSQQSPYPMPSVKDISPGDLAEELRRNLVQPIVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKAEEVPDMYGWTKETAETLAKWLNIELEFQGSGSTVQKQDVRANTAIKDIKKITLTLGD



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]
GLU334CD732[N], 1[S], 4[C],
GLU334CG631[S], 3[C], 2[N],
GLU334OE2632[N], 3[C], 1[S],
GLU334OE1931[S], 5[C], 3[N],
PRO335CG231[C], 1[S],
PRO335CD431[S], 2[C], 1[N],
SER337OG64313[O], 6[N], 5[S], 40[C],
THR338CG21036[O], 4[C],
THR338OG1633[O], 3[C],
LYS340CG22313[C], 5[O], 4[N],
LYS340NZ49331[C], 2[S], 4[N], 12[O],
LYS340CD3631[S], 22[C], 4[N], 9[O],
LYS340CE4231[S], 28[C], 9[O], 4[N],
ILE371CG2131[O],
ASP373OD11333[O], 8[C], 2[S],
ASP373OD2331[C], 2[S],
ASP373CG632[O], 2[C], 2[S],
TRP374CG6935[S], 44[C], 12[N], 8[O],
TRP374NE168342[C], 6[S], 11[N], 9[O],
TRP374CE34334[O], 8[N], 4[S], 27[C],
TRP374CD25735[S], 35[C], 8[O], 9[N],
TRP374CD171345[C], 5[S], 10[O], 11[N],
TRP374CZ33436[N], 1[O], 23[C], 4[S],
TRP374CZ249329[C], 4[S], 10[N], 6[O],
TRP374CE25537[O], 10[N], 4[S], 34[C],
ASP375OD1631[S], 4[C], 1[N],
ASP375OD2836[C], 1[S], 1[N],
ASP375CG1032[N], 7[C], 1[S],
ASN377ND2231[O], 1[C],
GLU378CG531[N], 4[C],
GLU378OE12135[N], 3[S], 13[C],
GLU378CD1535[N], 1[S], 9[C],
GLU378OE21235[N], 7[C],
LEU380CD2131[C],
LEU380CG331[C], 2[N],
LEU380CD11531[S], 9[C], 5[N],
MET386CE131[C],
HIS394CG936[C], 2[S], 1[N],
HIS394ND11734[N], 2[S], 11[C],
HIS394CD2831[N], 6[C], 1[S],
HIS394CE121314[C], 2[S], 5[N],
HIS394NE21633[N], 11[C], 2[S],
SER395OG5936[N], 12[O], 37[C], 4[S],
ASN397ND24936[N], 8[O], 3[S], 32[C],
ASN397CG4636[N], 8[O], 3[S], 29[C],
ASN397OD14936[N], 9[O], 31[C], 3[S],
PHE450CE12935[O], 4[N], 18[C], 2[S],
PHE450CD134318[C], 2[S], 7[O], 7[N],
PHE450CE21431[N], 3[O], 1[S], 9[C],
PHE450CZ1833[O], 3[N], 11[C], 1[S],
PHE450CD21831[S], 13[C], 1[N], 3[O],
PHE450CG2836[O], 2[N], 18[C], 2[S],
GLN452OE12834[N], 5[O], 1[S], 18[C],
GLN452NE22336[O], 4[N], 12[C], 1[S],
GLN452CD23313[C], 1[S], 5[O], 4[N],
GLN452CG2235[O], 3[N], 13[C], 1[S],
ILE454CG2131[S],
VAL518CG2232[O],
VAL518CG1735[O], 2[C],
THR526CG25335[S], 33[C], 6[O], 9[N],
THR526OG147328[C], 4[S], 6[O], 9[N],
MET527SD933[C], 6[O],
MET527CG1336[C], 1[S], 6[O],
MET527CE131[O],
HIS530CE1531[N], 1[S], 3[C],
HIS530NE2332[C], 1[S],
HIS530ND1232[C],
THR536CG2131[C],
LYS547NZ4334[N], 9[O], 26[C], 4[S],
LYS547CD2233[N], 9[O], 10[C],
LYS547CE2739[O], 3[N], 15[C],
LYS547CG1432[N], 7[O], 5[C],
SER548OG58336[C], 5[S], 9[O], 8[N],
THR550CG267341[C], 4[S], 13[O], 9[N],
THR550OG174312[O], 11[N], 5[S], 46[C],
GLN552NE21534[O], 3[N], 8[C],
GLN552CD22313[C], 1[S], 4[O], 4[N],
GLN552OE125315[C], 2[S], 4[N], 4[O],
GLN552CG2431[S], 15[C], 4[N], 4[O],
ILE553CD1131[N],
ILE553CG2131[N],
ILE553CG1131[N],
TYR561CD2933[N], 1[O], 4[C], 1[S],
TYR561CE1833[N], 4[C], 1[S],
TYR561CE2933[N], 1[O], 4[C], 1[S],
TYR561CG831[S], 4[C], 3[N],
TYR561CZ833[N], 1[S], 4[C],
TYR561CD1833[N], 4[C], 1[S],
TYR568CD13335[O], 4[N], 2[S], 22[C],
TYR568CG731[N], 1[O], 2[S], 3[C],
TYR568CE12732[N], 4[O], 2[S], 19[C],
TYR568CZ1035[C], 2[S], 1[N], 2[O],
TYR568CE2633[C], 2[S], 1[O],
TYR568CD2632[S], 3[C], 1[O],
ILE569CG1131[N],
ILE569CD1231[C], 1[N],
PHE570CE127320[C], 2[S], 3[O], 2[N],
PHE570CG633[O], 2[S], 1[C],
PHE570CD12332[S], 16[C], 5[O],
PHE570CZ833[O], 3[C], 2[S],
SER571OG1337[O], 6[C],
TYR595CZ232[O],
TYR595CD2232[O],
TYR595CE2333[O],
Total = 104



Download csv file of statistical distribution of contacts