Study : SA0884 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: 37R_B_6(4TVY) / Model_22(4TVY/B) = [3.4] Download1564.567.21MKFISNNNITDPTLNLAMEEYVLKNLPAEESYFLFYINRPSIIVGKNQNTIEEVNQTYIDAHNIDVVRRISGGGAVYHDTGNLNFSFITDDDGNSFHNFQKFTEPIVQALQSLGVNAELTGRNDIQVGQAKISGNAMVKVKNRMFSHGTLMLNSDLDEVQNALKVNPAKIKSKGIKSVRKRVANIQEFLNDPLEIEEFKKIILKTIFGETEVEEYKLTDEDWENIEKLSNDKYRTWAWNYGRNPKYNFEREEKFEKGFVQIKFDVKRGKIEHAKIFGDFFGVGDVTDLENALVGCLHDFEHIEEALSEYDLYHYFGDIDRHELIRLMS
Complex: LPA_B_6(2C8M) / Model_28(2C8M/B) = [3.5] Download436.366.77MKFISNNNITDPTLNLAMEEYVLKNLPAEESYFLFYINRPSIIVGKNQNTIEEVNQTYIDAHNIDVVRRISGGGAVYHDTGNLNFSFITDDDGNSFHNFQKFTEPIVQALQSLGVNAELTGRNDIQVGQAKISGNAMVKVKNRMFSHGTLMLNSDLDEVQNALKVNPAKIKSKGIKSVRKRVANIQEFLNDPLEIEEFKKIILKTIFGETEVEEYKLTDEDWENIEKLSNDKYRTWAWNYGRNPKYNFEREEKFEKGFVQIKFDVKRGKIEHAKIFGDFFGVGDVTDLENALVGCLHDFEHIEEALSEYDLYHYFGDIDRHELIRLMS
Complex: LPA_C_7(2C8M) / Model_27(2C8M/C) = [3.6] Download434.872.48MKFISNNNITDPTLNLAMEEYVLKNLPAEESYFLFYINRPSIIVGKNQNTIEEVNQTYIDAHNIDVVRRISGGGAVYHDTGNLNFSFITDDDGNSFHNFQKFTEPIVQALQSLGVNAELTGRNDIQVGQAKISGNAMVKVKNRMFSHGTLMLNSDLDEVQNALKVNPAKIKSKGIKSVRKRVANIQEFLNDPLEIEEFKKIILKTIFGETEVEEYKLTDEDWENIEKLSNDKYRTWAWNYGRNPKYNFEREEKFEKGFVQIKFDVKRGKIEHAKIFGDFFGVGDVTDLENALVGCLHDFEHIEEALSEYDLYHYFGDIDRHELIRLMS
Complex: LPA_D_8(2C8M) / Model_26(2C8M/D) = [3.6] Download479.362.48MKFISNNNITDPTLNLAMEEYVLKNLPAEESYFLFYINRPSIIVGKNQNTIEEVNQTYIDAHNIDVVRRISGGGAVYHDTGNLNFSFITDDDGNSFHNFQKFTEPIVQALQSLGVNAELTGRNDIQVGQAKISGNAMVKVKNRMFSHGTLMLNSDLDEVQNALKVNPAKIKSKGIKSVRKRVANIQEFLNDPLEIEEFKKIILKTIFGETEVEEYKLTDEDWENIEKLSNDKYRTWAWNYGRNPKYNFEREEKFEKGFVQIKFDVKRGKIEHAKIFGDFFGVGDVTDLENALVGCLHDFEHIEEALSEYDLYHYFGDIDRHELIRLMS
Complex: LPA_A_5(2C8M) / Model_11(2C8M/A) = [3.8] Download514.392.48MKFISNNNITDPTLNLAMEEYVLKNLPAEESYFLFYINRPSIIVGKNQNTIEEVNQTYIDAHNIDVVRRISGGGAVYHDTGNLNFSFITDDDGNSFHNFQKFTEPIVQALQSLGVNAELTGRNDIQVGQAKISGNAMVKVKNRMFSHGTLMLNSDLDEVQNALKVNPAKIKSKGIKSVRKRVANIQEFLNDPLEIEEFKKIILKTIFGETEVEEYKLTDEDWENIEKLSNDKYRTWAWNYGRNPKYNFEREEKFEKGFVQIKFDVKRGKIEHAKIFGDFFGVGDVTDLENALVGCLHDFEHIEEALSEYDLYHYFGDIDRHELIRLMS
Consensus
[pKd Mean = 3.58]		-685
(s=440)		4
(s=2)		MKFISNNNITDPTLNLAMEEYVLKNLPAEESYFLFYINRPSIIVGKNQNTIEEVNQTYIDAHNIDVVRRISGGGAVYHDTGNLNFSFITDDDGNSFHNFQKFTEPIVQALQSLGVNAELTGRNDIQVGQAKISGNAMVKVKNRMFSHGTLMLNSDLDEVQNALKVNPAKIKSKGIKSVRKRVANIQEFLNDPLEIEEFKKIILKTIFGETEVEEYKLTDEDWENIEKLSNDKYRTWAWNYGRNPKYNFEREEKFEKGFVQIKFDVKRGKIEHAKIFGDFFGVGDVTDLENALVGCLHDFEHIEEALSEYDLYHYFGDIDRHELIRLMS