Study : bsu22550 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: 8K6_A_15(4OGQ) / Model_12(4OGQ/A) = [3.9] Download633.8643.89MLNKIYDWVDERLDITPMWRDIADHEVPEHVNPAHHFSAFVYCFGGLTFFVTVIQVLSGMFLTMYYVPDIKNAWESVYYLQNEVAFGQIVRGMHHWGASLVIVMMFLHTLRVFFQGAYKKPRELNWIVGVLIFFVMLGLGFTGYLLPWDMKALFATKVGLQIAEATPLIGTQVKTLLAGHPDIVGAQTLTRFFAIHVFFLPAALFGLMAAHFIMIRKQGISGPL
Complex: HEM_A_12(2E74) / Model_3(2E74/A) = [7.1] Download794.6218.65MLNKIYDWVDERLDITPMWRDIADHEVPEHVNPAHHFSAFVYCFGGLTFFVTVIQVLSGMFLTMYYVPDIKNAWESVYYLQNEVAFGQIVRGMHHWGASLVIVMMFLHTLRVFFQGAYKKPRELNWIVGVLIFFVMLGLGFTGYLLPWDMKALFATKVGLQIAEATPLIGTQVKTLLAGHPDIVGAQTLTRFFAIHVFFLPAALFGLMAAHFIMIRKQGISGPL
Complex: HEM_B_11(1Q90) / Model_13(1Q90/B) = [8.0] Download795.5217.29MLNKIYDWVDERLDITPMWRDIADHEVPEHVNPAHHFSAFVYCFGGLTFFVTVIQVLSGMFLTMYYVPDIKNAWESVYYLQNEVAFGQIVRGMHHWGASLVIVMMFLHTLRVFFQGAYKKPRELNWIVGVLIFFVMLGLGFTGYLLPWDMKALFATKVGLQIAEATPLIGTQVKTLLAGHPDIVGAQTLTRFFAIHVFFLPAALFGLMAAHFIMIRKQGISGPL
Complex: HEM_A_11(2ZT9) / Model_10(2ZT9/A) = [8.3] Download777.4617.29MLNKIYDWVDERLDITPMWRDIADHEVPEHVNPAHHFSAFVYCFGGLTFFVTVIQVLSGMFLTMYYVPDIKNAWESVYYLQNEVAFGQIVRGMHHWGASLVIVMMFLHTLRVFFQGAYKKPRELNWIVGVLIFFVMLGLGFTGYLLPWDMKALFATKVGLQIAEATPLIGTQVKTLLAGHPDIVGAQTLTRFFAIHVFFLPAALFGLMAAHFIMIRKQGISGPL
Complex: HEM_B_12(1Q90) / Model_13(1Q90/B) = [9.9] Download290.5633.08MLNKIYDWVDERLDITPMWRDIADHEVPEHVNPAHHFSAFVYCFGGLTFFVTVIQVLSGMFLTMYYVPDIKNAWESVYYLQNEVAFGQIVRGMHHWGASLVIVMMFLHTLRVFFQGAYKKPRELNWIVGVLIFFVMLGLGFTGYLLPWDMKALFATKVGLQIAEATPLIGTQVKTLLAGHPDIVGAQTLTRFFAIHVFFLPAALFGLMAAHFIMIRKQGISGPL
Consensus
[pKd Mean = 7.44]
-658
(s=193)
26
(s=10)
MLNKIYDWVDERLDITPMWRDIADHEVPEHVNPAHHFSAFVYCFGGLTFFVTVIQVLSGMFLTMYYVPDIKNAWESVYYLQNEVAFGQIVRGMHHWGASLVIVMMFLHTLRVFFQGAYKKPRELNWIVGVLIFFVMLGLGFTGYLLPWDMKALFATKVGLQIAEATPLIGTQVKTLLAGHPDIVGAQTLTRFFAIHVFFLPAALFGLMAAHFIMIRKQGISGPL