Study : gbs0044 (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: ATP_A_8(4DLK) / Model_1(4DLK/A) = [3.3] Download1950.6113.67MNLFKTIGIIGGGQLGQMMAIAAIYMGHKVITLDPASDCSASRVSEVIVAPYDDVEALGQLAARCDVLTYEFENVDADGLDAVVSAGQLPQGTDLLRISQNRIFEKDFLANKAGVTVAPYKVVTSSLDLEGFDLTKTYVLKTATGGYDGHGQKVIRSAEDLPEAQQLANSAECVLEEFVDFDLEISVIVSGNGQDVTVFPVQENIHRNNILSKTIVPARISDQLADKAKKMAVQIAKELQLSGTLCVEMFVTADDIIVNEIAPRPHNSGHYSIEACDFSQFDTHILGVLGQPLPPIKLHAPAVMLNVLGQHVQQAIDYVAENPSAHLHIYGKLEAKHNRKMGHVTVFTEDADEVEEF
Complex: ATP_A_7(4DLK) / Model_1(4DLK/A) = [4.3] Download1417.515.07MNLFKTIGIIGGGQLGQMMAIAAIYMGHKVITLDPASDCSASRVSEVIVAPYDDVEALGQLAARCDVLTYEFENVDADGLDAVVSAGQLPQGTDLLRISQNRIFEKDFLANKAGVTVAPYKVVTSSLDLEGFDLTKTYVLKTATGGYDGHGQKVIRSAEDLPEAQQLANSAECVLEEFVDFDLEISVIVSGNGQDVTVFPVQENIHRNNILSKTIVPARISDQLADKAKKMAVQIAKELQLSGTLCVEMFVTADDIIVNEIAPRPHNSGHYSIEACDFSQFDTHILGVLGQPLPPIKLHAPAVMLNVLGQHVQQAIDYVAENPSAHLHIYGKLEAKHNRKMGHVTVFTEDADEVEEF
Complex: AMP_A_3(3AW8) / Model_83(3AW8/A) = [4.4] Download868.936.10MNLFKTIGIIGGGQLGQMMAIAAIYMGHKVITLDPASDCSASRVSEVIVAPYDDVEALGQLAARCDVLTYEFENVDADGLDAVVSAGQLPQGTDLLRISQNRIFEKDFLANKAGVTVAPYKVVTSSLDLEGFDLTKTYVLKTATGGYDGHGQKVIRSAEDLPEAQQLANSAECVLEEFVDFDLEISVIVSGNGQDVTVFPVQENIHRNNILSKTIVPARISDQLADKAKKMAVQIAKELQLSGTLCVEMFVTADDIIVNEIAPRPHNSGHYSIEACDFSQFDTHILGVLGQPLPPIKLHAPAVMLNVLGQHVQQAIDYVAENPSAHLHIYGKLEAKHNRKMGHVTVFTEDADEVEEF
Complex: AMP_A_3(3AW8) / Model_9(3AW8/A) = [4.4] Download1026.926.10MNLFKTIGIIGGGQLGQMMAIAAIYMGHKVITLDPASDCSASRVSEVIVAPYDDVEALGQLAARCDVLTYEFENVDADGLDAVVSAGQLPQGTDLLRISQNRIFEKDFLANKAGVTVAPYKVVTSSLDLEGFDLTKTYVLKTATGGYDGHGQKVIRSAEDLPEAQQLANSAECVLEEFVDFDLEISVIVSGNGQDVTVFPVQENIHRNNILSKTIVPARISDQLADKAKKMAVQIAKELQLSGTLCVEMFVTADDIIVNEIAPRPHNSGHYSIEACDFSQFDTHILGVLGQPLPPIKLHAPAVMLNVLGQHVQQAIDYVAENPSAHLHIYGKLEAKHNRKMGHVTVFTEDADEVEEF
Complex: ANP_A_2(4MA5) / Model_14(4MA5/A) = [5.2] Download991.630.13MNLFKTIGIIGGGQLGQMMAIAAIYMGHKVITLDPASDCSASRVSEVIVAPYDDVEALGQLAARCDVLTYEFENVDADGLDAVVSAGQLPQGTDLLRISQNRIFEKDFLANKAGVTVAPYKVVTSSLDLEGFDLTKTYVLKTATGGYDGHGQKVIRSAEDLPEAQQLANSAECVLEEFVDFDLEISVIVSGNGQDVTVFPVQENIHRNNILSKTIVPARISDQLADKAKKMAVQIAKELQLSGTLCVEMFVTADDIIVNEIAPRPHNSGHYSIEACDFSQFDTHILGVLGQPLPPIKLHAPAVMLNVLGQHVQQAIDYVAENPSAHLHIYGKLEAKHNRKMGHVTVFTEDADEVEEF
Consensus
[pKd Mean = 4.32]
-1251
(s=395)
6
(s=4)
MNLFKTIGIIGGGQLGQMMAIAAIYMGHKVITLDPASDCSASRVSEVIVAPYDDVEALGQLAARCDVLTYEFENVDADGLDAVVSAGQLPQGTDLLRISQNRIFEKDFLANKAGVTVAPYKVVTSSLDLEGFDLTKTYVLKTATGGYDGHGQKVIRSAEDLPEAQQLANSAECVLEEFVDFDLEISVIVSGNGQDVTVFPVQENIHRNNILSKTIVPARISDQLADKAKKMAVQIAKELQLSGTLCVEMFVTADDIIVNEIAPRPHNSGHYSIEACDFSQFDTHILGVLGQPLPPIKLHAPAVMLNVLGQHVQQAIDYVAENPSAHLHIYGKLEAKHNRKMGHVTVFTEDADEVEEF