Study : SA0332 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: HEM_A_3(2Y4F) / Model_2(2Y4F/A) = [8.5] Download659.1517.50MWSFKSMFNTPEDPEKDAYEFYGKVQPGITTPTQKTCNFVALDLKSKDRDAIKAMFKKWTVMADRMMDGDTVGKTSNNPLMPPVDTGESIGLGASKLTITFGISKSLMKKIGLSSKIPDAFKDLPHFPNDQLIDDYSDGDIMIQACSNDSQVSFHAVHNLVRPFRDIVKVRWAQSGFISAKGKETPRNLMAFKDGTINPRKSNQLKDYVFIDDGWAKHGTYCVVRRIQIHIETWDRTALEEQEATFGRKRHSGAPLTGGKEFDEIDLKAKDSHGEYIIDKDAHTRLAKEANTSILRRAFNYVDGTDDRTGNFETGLLFIAFQKATKQFIDIQNNLGSNDKLNEYITHRGSASFLVLPGVSKGGYLGETLFD
Complex: HEM_A_3(4GS1) / Model_7(4GS1/A) = [9.1] Download304.3613.00MWSFKSMFNTPEDPEKDAYEFYGKVQPGITTPTQKTCNFVALDLKSKDRDAIKAMFKKWTVMADRMMDGDTVGKTSNNPLMPPVDTGESIGLGASKLTITFGISKSLMKKIGLSSKIPDAFKDLPHFPNDQLIDDYSDGDIMIQACSNDSQVSFHAVHNLVRPFRDIVKVRWAQSGFISAKGKETPRNLMAFKDGTINPRKSNQLKDYVFIDDGWAKHGTYCVVRRIQIHIETWDRTALEEQEATFGRKRHSGAPLTGGKEFDEIDLKAKDSHGEYIIDKDAHTRLAKEANTSILRRAFNYVDGTDDRTGNFETGLLFIAFQKATKQFIDIQNNLGSNDKLNEYITHRGSASFLVLPGVSKGGYLGETLFD
Complex: HEM_B_6(4GS1) / Model_27(4GS1/B) = [9.9] Download471.0914.12MWSFKSMFNTPEDPEKDAYEFYGKVQPGITTPTQKTCNFVALDLKSKDRDAIKAMFKKWTVMADRMMDGDTVGKTSNNPLMPPVDTGESIGLGASKLTITFGISKSLMKKIGLSSKIPDAFKDLPHFPNDQLIDDYSDGDIMIQACSNDSQVSFHAVHNLVRPFRDIVKVRWAQSGFISAKGKETPRNLMAFKDGTINPRKSNQLKDYVFIDDGWAKHGTYCVVRRIQIHIETWDRTALEEQEATFGRKRHSGAPLTGGKEFDEIDLKAKDSHGEYIIDKDAHTRLAKEANTSILRRAFNYVDGTDDRTGNFETGLLFIAFQKATKQFIDIQNNLGSNDKLNEYITHRGSASFLVLPGVSKGGYLGETLFD
Complex: PP9_A_3(2Y4E) / Model_4(2Y4E/A) = [10.1] Download408.4620.24MWSFKSMFNTPEDPEKDAYEFYGKVQPGITTPTQKTCNFVALDLKSKDRDAIKAMFKKWTVMADRMMDGDTVGKTSNNPLMPPVDTGESIGLGASKLTITFGISKSLMKKIGLSSKIPDAFKDLPHFPNDQLIDDYSDGDIMIQACSNDSQVSFHAVHNLVRPFRDIVKVRWAQSGFISAKGKETPRNLMAFKDGTINPRKSNQLKDYVFIDDGWAKHGTYCVVRRIQIHIETWDRTALEEQEATFGRKRHSGAPLTGGKEFDEIDLKAKDSHGEYIIDKDAHTRLAKEANTSILRRAFNYVDGTDDRTGNFETGLLFIAFQKATKQFIDIQNNLGSNDKLNEYITHRGSASFLVLPGVSKGGYLGETLFD
Complex: PP9_B_7(2Y4E) / Model_22(2Y4E/B) = [10.6] Download490.1121.88MWSFKSMFNTPEDPEKDAYEFYGKVQPGITTPTQKTCNFVALDLKSKDRDAIKAMFKKWTVMADRMMDGDTVGKTSNNPLMPPVDTGESIGLGASKLTITFGISKSLMKKIGLSSKIPDAFKDLPHFPNDQLIDDYSDGDIMIQACSNDSQVSFHAVHNLVRPFRDIVKVRWAQSGFISAKGKETPRNLMAFKDGTINPRKSNQLKDYVFIDDGWAKHGTYCVVRRIQIHIETWDRTALEEQEATFGRKRHSGAPLTGGKEFDEIDLKAKDSHGEYIIDKDAHTRLAKEANTSILRRAFNYVDGTDDRTGNFETGLLFIAFQKATKQFIDIQNNLGSNDKLNEYITHRGSASFLVLPGVSKGGYLGETLFD
Consensus
[pKd Mean = 9.64]
-466
(s=116)
17
(s=3)
MWSFKSMFNTPEDPEKDAYEFYGKVQPGITTPTQKTCNFVALDLKSKDRDAIKAMFKKWTVMADRMMDGDTVGKTSNNPLMPPVDTGESIGLGASKLTITFGISKSLMKKIGLSSKIPDAFKDLPHFPNDQLIDDYSDGDIMIQACSNDSQVSFHAVHNLVRPFRDIVKVRWAQSGFISAKGKETPRNLMAFKDGTINPRKSNQLKDYVFIDDGWAKHGTYCVVRRIQIHIETWDRTALEEQEATFGRKRHSGAPLTGGKEFDEIDLKAKDSHGEYIIDKDAHTRLAKEANTSILRRAFNYVDGTDDRTGNFETGLLFIAFQKATKQFIDIQNNLGSNDKLNEYITHRGSASFLVLPGVSKGGYLGETLFD