Study : SA1896 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: HMH_H_8(1JXI) / Model_21(1JXI/B) = [3.3] Download612.3725.13MIKPKIALTIAGTDPTGGAGVMADLKSFHSCGVYGMGVVTSIVAQNTLGVQHIHNLNHQWVDEQLDSVFNDTLPHAIKTGMIATADTMETIRHYLMQHESIPYVIDPVMLAKSGDSLMDNDTKQNLQHTLLPLADVVTPNLPEAEEITGLTIDSEEKIMQAGRIFINEIGSKGIIIKGGHSNDTDIAKDYLFTNEGVQTFENERFKTKHTHGTGCTFSAVITAELAKGRPLFEAVHKAKKFISMSIQYTPEIGRGRGPVNHFAYLKKEGLDDELSK
Complex: HMH_G_7(1JXI) / Model_2(1JXI/A) = [3.4] Download741.4123.67MIKPKIALTIAGTDPTGGAGVMADLKSFHSCGVYGMGVVTSIVAQNTLGVQHIHNLNHQWVDEQLDSVFNDTLPHAIKTGMIATADTMETIRHYLMQHESIPYVIDPVMLAKSGDSLMDNDTKQNLQHTLLPLADVVTPNLPEAEEITGLTIDSEEKIMQAGRIFINEIGSKGIIIKGGHSNDTDIAKDYLFTNEGVQTFENERFKTKHTHGTGCTFSAVITAELAKGRPLFEAVHKAKKFISMSIQYTPEIGRGRGPVNHFAYLKKEGLDDELSK
Complex: ACP_D_16(4C5N) / Model_28(4C5N/D) = [5.4] Download1006.246.56MIKPKIALTIAGTDPTGGAGVMADLKSFHSCGVYGMGVVTSIVAQNTLGVQHIHNLNHQWVDEQLDSVFNDTLPHAIKTGMIATADTMETIRHYLMQHESIPYVIDPVMLAKSGDSLMDNDTKQNLQHTLLPLADVVTPNLPEAEEITGLTIDSEEKIMQAGRIFINEIGSKGIIIKGGHSNDTDIAKDYLFTNEGVQTFENERFKTKHTHGTGCTFSAVITAELAKGRPLFEAVHKAKKFISMSIQYTPEIGRGRGPVNHFAYLKKEGLDDELSK
Complex: ACP_C_15(4C5M) / Model_32(4C5M/C) = [5.6] Download1446.199.85MIKPKIALTIAGTDPTGGAGVMADLKSFHSCGVYGMGVVTSIVAQNTLGVQHIHNLNHQWVDEQLDSVFNDTLPHAIKTGMIATADTMETIRHYLMQHESIPYVIDPVMLAKSGDSLMDNDTKQNLQHTLLPLADVVTPNLPEAEEITGLTIDSEEKIMQAGRIFINEIGSKGIIIKGGHSNDTDIAKDYLFTNEGVQTFENERFKTKHTHGTGCTFSAVITAELAKGRPLFEAVHKAKKFISMSIQYTPEIGRGRGPVNHFAYLKKEGLDDELSK
Complex: ACP_B_10(4C5M) / Model_33(4C5M/B) = [5.8] Download1222.458.09MIKPKIALTIAGTDPTGGAGVMADLKSFHSCGVYGMGVVTSIVAQNTLGVQHIHNLNHQWVDEQLDSVFNDTLPHAIKTGMIATADTMETIRHYLMQHESIPYVIDPVMLAKSGDSLMDNDTKQNLQHTLLPLADVVTPNLPEAEEITGLTIDSEEKIMQAGRIFINEIGSKGIIIKGGHSNDTDIAKDYLFTNEGVQTFENERFKTKHTHGTGCTFSAVITAELAKGRPLFEAVHKAKKFISMSIQYTPEIGRGRGPVNHFAYLKKEGLDDELSK
Consensus
[pKd Mean = 4.70]
-1005
(s=305)
14
(s=8)
MIKPKIALTIAGTDPTGGAGVMADLKSFHSCGVYGMGVVTSIVAQNTLGVQHIHNLNHQWVDEQLDSVFNDTLPHAIKTGMIATADTMETIRHYLMQHESIPYVIDPVMLAKSGDSLMDNDTKQNLQHTLLPLADVVTPNLPEAEEITGLTIDSEEKIMQAGRIFINEIGSKGIIIKGGHSNDTDIAKDYLFTNEGVQTFENERFKTKHTHGTGCTFSAVITAELAKGRPLFEAVHKAKKFISMSIQYTPEIGRGRGPVNHFAYLKKEGLDDELSK