Study : bsu31540 (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: ADN_A_4(4PEV) / Model_36(4PEV/A) = [5.9] Download501.0720.88MNKRKIGLAMSLVIAAGTILGACGNSEKSSGSGEGKNKFSVAMVTDVGGVDDKSFNQSAWEGIQAFGKENGLKKGKNGYDYLQSKSDADYTTNLNKLARENFDLIYGVGYLMEDSISEIADQRKNTNFAIIDAVVDKDNVASITFKEQEGSFLVGVAAALSSKSGKIGFVGGMESELIKKFEVGFRAGVQAVNPKAVVEVKYAGGFDKADVGKATAESMYKSGVDVIYHSAGATGTGVFTEAKNLKKEDPKRDVWVIGVDKDQYAEGQVEGTDDNVTLTSMVKKVDTVVEDVTKKASDGKFPGGETLTYGLDQDGVGISPSKQNLSDDVIKAVDKWKKKIIDGLEIPATEKELKTFKAE
Complex: ADN_A_4(4PEV) / Model_4(4PEV/A) = [5.9] Download514.7120.88MNKRKIGLAMSLVIAAGTILGACGNSEKSSGSGEGKNKFSVAMVTDVGGVDDKSFNQSAWEGIQAFGKENGLKKGKNGYDYLQSKSDADYTTNLNKLARENFDLIYGVGYLMEDSISEIADQRKNTNFAIIDAVVDKDNVASITFKEQEGSFLVGVAAALSSKSGKIGFVGGMESELIKKFEVGFRAGVQAVNPKAVVEVKYAGGFDKADVGKATAESMYKSGVDVIYHSAGATGTGVFTEAKNLKKEDPKRDVWVIGVDKDQYAEGQVEGTDDNVTLTSMVKKVDTVVEDVTKKASDGKFPGGETLTYGLDQDGVGISPSKQNLSDDVIKAVDKWKKKIIDGLEIPATEKELKTFKAE
Complex: NOS_A_2(2FQW) / Model_1(2FQW/A) = [6.2] Download467.5928.77MNKRKIGLAMSLVIAAGTILGACGNSEKSSGSGEGKNKFSVAMVTDVGGVDDKSFNQSAWEGIQAFGKENGLKKGKNGYDYLQSKSDADYTTNLNKLARENFDLIYGVGYLMEDSISEIADQRKNTNFAIIDAVVDKDNVASITFKEQEGSFLVGVAAALSSKSGKIGFVGGMESELIKKFEVGFRAGVQAVNPKAVVEVKYAGGFDKADVGKATAESMYKSGVDVIYHSAGATGTGVFTEAKNLKKEDPKRDVWVIGVDKDQYAEGQVEGTDDNVTLTSMVKKVDTVVEDVTKKASDGKFPGGETLTYGLDQDGVGISPSKQNLSDDVIKAVDKWKKKIIDGLEIPATEKELKTFKAE
Complex: GMP_A_2(2FQX) / Model_24(2FQX/A) = [6.5] Download538.7428.58MNKRKIGLAMSLVIAAGTILGACGNSEKSSGSGEGKNKFSVAMVTDVGGVDDKSFNQSAWEGIQAFGKENGLKKGKNGYDYLQSKSDADYTTNLNKLARENFDLIYGVGYLMEDSISEIADQRKNTNFAIIDAVVDKDNVASITFKEQEGSFLVGVAAALSSKSGKIGFVGGMESELIKKFEVGFRAGVQAVNPKAVVEVKYAGGFDKADVGKATAESMYKSGVDVIYHSAGATGTGVFTEAKNLKKEDPKRDVWVIGVDKDQYAEGQVEGTDDNVTLTSMVKKVDTVVEDVTKKASDGKFPGGETLTYGLDQDGVGISPSKQNLSDDVIKAVDKWKKKIIDGLEIPATEKELKTFKAE
Complex: GMP_A_2(2FQX) / Model_2(2FQX/A) = [6.5] Download535.9628.58MNKRKIGLAMSLVIAAGTILGACGNSEKSSGSGEGKNKFSVAMVTDVGGVDDKSFNQSAWEGIQAFGKENGLKKGKNGYDYLQSKSDADYTTNLNKLARENFDLIYGVGYLMEDSISEIADQRKNTNFAIIDAVVDKDNVASITFKEQEGSFLVGVAAALSSKSGKIGFVGGMESELIKKFEVGFRAGVQAVNPKAVVEVKYAGGFDKADVGKATAESMYKSGVDVIYHSAGATGTGVFTEAKNLKKEDPKRDVWVIGVDKDQYAEGQVEGTDDNVTLTSMVKKVDTVVEDVTKKASDGKFPGGETLTYGLDQDGVGISPSKQNLSDDVIKAVDKWKKKIIDGLEIPATEKELKTFKAE
Consensus
[pKd Mean = 6.20]
-511
(s=26)
25
(s=3)
MNKRKIGLAMSLVIAAGTILGACGNSEKSSGSGEGKNKFSVAMVTDVGGVDDKSFNQSAWEGIQAFGKENGLKKGKNGYDYLQSKSDADYTTNLNKLARENFDLIYGVGYLMEDSISEIADQRKNTNFAIIDAVVDKDNVASITFKEQEGSFLVGVAAALSSKSGKIGFVGGMESELIKKFEVGFRAGVQAVNPKAVVEVKYAGGFDKADVGKATAESMYKSGVDVIYHSAGATGTGVFTEAKNLKKEDPKRDVWVIGVDKDQYAEGQVEGTDDNVTLTSMVKKVDTVVEDVTKKASDGKFPGGETLTYGLDQDGVGISPSKQNLSDDVIKAVDKWKKKIIDGLEIPATEKELKTFKAE