Study : PF00061_FABP4_RAT (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: FBZ_A_2(3P6F) / Model_17(3P6F/A) = [3.4] Download709.0633.40MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNLIISVEGDLVVIRSESTFKNTEISFKLGVEFDEITPDDRKVKSIITLDGGVLVHVQKWDGKSTTIKKRRDGDKLVVECVMKGVTSTRVYERA
Complex: HNE_A_3(3JSQ) / Model_10(3JSQ/A) = [3.4] Download706.5541.86MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNLIISVEGDLVVIRSESTFKNTEISFKLGVEFDEITPDDRKVKSIITLDGGVLVHVQKWDGKSTTIKKRRDGDKLVVECVMKGVTSTRVYERA
Complex: CIT_A_2(3P6C) / Model_14(3P6C/A) = [3.8] Download686.3829.52MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNLIISVEGDLVVIRSESTFKNTEISFKLGVEFDEITPDDRKVKSIITLDGGVLVHVQKWDGKSTTIKKRRDGDKLVVECVMKGVTSTRVYERA
Complex: ZGC_A_2(3P6E) / Model_16(3P6E/A) = [4.0] Download721.8132.96MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNLIISVEGDLVVIRSESTFKNTEISFKLGVEFDEITPDDRKVKSIITLDGGVLVHVQKWDGKSTTIKKRRDGDKLVVECVMKGVTSTRVYERA
Complex: 2AN_A_4(2ANS) / Model_3(2ANS/A) = [4.4] Download779.7234.19MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNLIISVEGDLVVIRSESTFKNTEISFKLGVEFDEITPDDRKVKSIITLDGGVLVHVQKWDGKSTTIKKRRDGDKLVVECVMKGVTSTRVYERA
Consensus
[pKd Mean = 3.80]
-720
(s=31)
34
(s=4)
MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNLIISVEGDLVVIRSESTFKNTEISFKLGVEFDEITPDDRKVKSIITLDGGVLVHVQKWDGKSTTIKKRRDGDKLVVECVMKGVTSTRVYERA