Study : PA3277 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: 1PS_B_6(4URE) / Model_51(4URE/B) = [3.6] Download720.0724.32MQNRMMITGAGSGLGREIALRWARDGWRLALADVNEAGLAESLKLVREAGGDGFTQRCDVRDYSQLTALAQSCEEKFGGIDVIVNNAGVASGGFFGELSLEDWDWQIAINLIGVVKGCKAFLPLLERSKGKIVNIASMAALMQGPAMSNYNVAKAGVVALSESLLVELALVEVGVHVVCPSFFQTNLLDSFRGPSPEMKHQVGKLLESSPISAADIADYIHAEVAKGSFLILPHEQARMAWRIKQQNPQAIYDEMTAMAGKMQAKRQRQA
Complex: NDP_B_4(4DBZ) / Model_28(4DBZ/B) = [7.4] Download1536.1322.41MQNRMMITGAGSGLGREIALRWARDGWRLALADVNEAGLAESLKLVREAGGDGFTQRCDVRDYSQLTALAQSCEEKFGGIDVIVNNAGVASGGFFGELSLEDWDWQIAINLIGVVKGCKAFLPLLERSKGKIVNIASMAALMQGPAMSNYNVAKAGVVALSESLLVELALVEVGVHVVCPSFFQTNLLDSFRGPSPEMKHQVGKLLESSPISAADIADYIHAEVAKGSFLILPHEQARMAWRIKQQNPQAIYDEMTAMAGKMQAKRQRQA
Complex: NAP_A_5(1X7G) / Model_4(1X7G/A) = [7.6] Download1397.2320.45MQNRMMITGAGSGLGREIALRWARDGWRLALADVNEAGLAESLKLVREAGGDGFTQRCDVRDYSQLTALAQSCEEKFGGIDVIVNNAGVASGGFFGELSLEDWDWQIAINLIGVVKGCKAFLPLLERSKGKIVNIASMAALMQGPAMSNYNVAKAGVVALSESLLVELALVEVGVHVVCPSFFQTNLLDSFRGPSPEMKHQVGKLLESSPISAADIADYIHAEVAKGSFLILPHEQARMAWRIKQQNPQAIYDEMTAMAGKMQAKRQRQA
Complex: NAD_A_3(3WYE) / Model_77(3WYE/A) = [8.9] Download1283.3219.62MQNRMMITGAGSGLGREIALRWARDGWRLALADVNEAGLAESLKLVREAGGDGFTQRCDVRDYSQLTALAQSCEEKFGGIDVIVNNAGVASGGFFGELSLEDWDWQIAINLIGVVKGCKAFLPLLERSKGKIVNIASMAALMQGPAMSNYNVAKAGVVALSESLLVELALVEVGVHVVCPSFFQTNLLDSFRGPSPEMKHQVGKLLESSPISAADIADYIHAEVAKGSFLILPHEQARMAWRIKQQNPQAIYDEMTAMAGKMQAKRQRQA
Complex: NAD_D_11(2CFC) / Model_34(2CFC/D) = [9.0] Download1304.6218.86MQNRMMITGAGSGLGREIALRWARDGWRLALADVNEAGLAESLKLVREAGGDGFTQRCDVRDYSQLTALAQSCEEKFGGIDVIVNNAGVASGGFFGELSLEDWDWQIAINLIGVVKGCKAFLPLLERSKGKIVNIASMAALMQGPAMSNYNVAKAGVVALSESLLVELALVEVGVHVVCPSFFQTNLLDSFRGPSPEMKHQVGKLLESSPISAADIADYIHAEVAKGSFLILPHEQARMAWRIKQQNPQAIYDEMTAMAGKMQAKRQRQA
Consensus
[pKd Mean = 7.30]
-1248
(s=278)
21
(s=1)
MQNRMMITGAGSGLGREIALRWARDGWRLALADVNEAGLAESLKLVREAGGDGFTQRCDVRDYSQLTALAQSCEEKFGGIDVIVNNAGVASGGFFGELSLEDWDWQIAINLIGVVKGCKAFLPLLERSKGKIVNIASMAALMQGPAMSNYNVAKAGVVALSESLLVELALVEVGVHVVCPSFFQTNLLDSFRGPSPEMKHQVGKLLESSPISAADIADYIHAEVAKGSFLILPHEQARMAWRIKQQNPQAIYDEMTAMAGKMQAKRQRQA