Study : Lmo2126 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: BCD_C_3(1G1Y) / Model_18(1G1Y/A) = [3.4] Download2425.881.97MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS
Complex: SUGAR_C_3(1J0I) / Model_2(1J0I/A) = [3.5] Download--MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS
Complex: MTT_C_3(1JIB) / Model_14(1JIB/A) = [3.6] Download1833.1713.89MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS
Complex: SUGAR_B_4(1VFU) / Model_37(1VFU/B) = [3.7] Download--MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS
Complex: BCD_D_4(1G1Y) / Model_35(1G1Y/B) = [3.8] Download2403.5111.90MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS
Consensus
[pKd Mean = 3.60]
-2220
(s=274)
9
(s=5)
MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS