Study : jhp_0412 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: DOR_A_4(3KVK) / Model_20(3KVK/A) = [4.4] Download338.8914.00MLYSLVKKYLFSLDAEIAHEKVCQILRTLSSSPFLCRLIHSQWGYKNPKLENEILGLNFPNPLGLAAGFDKNASMLRALIAFGFGYLEAGTLTNIAQSGNEKPRLFRHIEEESLQNAMGFNNYGAILGVRAFNRFAPYKTPIGINLGKNKHIEQAHALEDYQAVLNQCLNIGDYYTFNLSSPNTPNLRDLQNKVFVNELFCMAKEMTHKPLFLKIAPDLEIDSMLEVVNSAIEAGANGIIATNTTIDKSLVFAPKEMGGLSGKCLTKKSREIFKELAKAFFNKSVLVSVGGISDAKEAYERIKMGASLLQIYSAFIYKGPNLCQNILKDLVKLLQKDGFLSVKEAIGADLR
Complex: DOR_A_4(3KVJ) / Model_19(3KVJ/A) = [4.6] Download288.4014.00MLYSLVKKYLFSLDAEIAHEKVCQILRTLSSSPFLCRLIHSQWGYKNPKLENEILGLNFPNPLGLAAGFDKNASMLRALIAFGFGYLEAGTLTNIAQSGNEKPRLFRHIEEESLQNAMGFNNYGAILGVRAFNRFAPYKTPIGINLGKNKHIEQAHALEDYQAVLNQCLNIGDYYTFNLSSPNTPNLRDLQNKVFVNELFCMAKEMTHKPLFLKIAPDLEIDSMLEVVNSAIEAGANGIIATNTTIDKSLVFAPKEMGGLSGKCLTKKSREIFKELAKAFFNKSVLVSVGGISDAKEAYERIKMGASLLQIYSAFIYKGPNLCQNILKDLVKLLQKDGFLSVKEAIGADLR
Complex: 2V6_A_4(4ORI) / Model_4(4ORI/A) = [5.0] Download1064.1647.44MLYSLVKKYLFSLDAEIAHEKVCQILRTLSSSPFLCRLIHSQWGYKNPKLENEILGLNFPNPLGLAAGFDKNASMLRALIAFGFGYLEAGTLTNIAQSGNEKPRLFRHIEEESLQNAMGFNNYGAILGVRAFNRFAPYKTPIGINLGKNKHIEQAHALEDYQAVLNQCLNIGDYYTFNLSSPNTPNLRDLQNKVFVNELFCMAKEMTHKPLFLKIAPDLEIDSMLEVVNSAIEAGANGIIATNTTIDKSLVFAPKEMGGLSGKCLTKKSREIFKELAKAFFNKSVLVSVGGISDAKEAYERIKMGASLLQIYSAFIYKGPNLCQNILKDLVKLLQKDGFLSVKEAIGADLR
Complex: 2V6_A_4(4OQV) / Model_18(4OQV/A) = [5.1] Download741.5245.13MLYSLVKKYLFSLDAEIAHEKVCQILRTLSSSPFLCRLIHSQWGYKNPKLENEILGLNFPNPLGLAAGFDKNASMLRALIAFGFGYLEAGTLTNIAQSGNEKPRLFRHIEEESLQNAMGFNNYGAILGVRAFNRFAPYKTPIGINLGKNKHIEQAHALEDYQAVLNQCLNIGDYYTFNLSSPNTPNLRDLQNKVFVNELFCMAKEMTHKPLFLKIAPDLEIDSMLEVVNSAIEAGANGIIATNTTIDKSLVFAPKEMGGLSGKCLTKKSREIFKELAKAFFNKSVLVSVGGISDAKEAYERIKMGASLLQIYSAFIYKGPNLCQNILKDLVKLLQKDGFLSVKEAIGADLR
Complex: AFI_B_9(1UUM) / Model_21(1UUM/B) = [5.3] Download937.6742.60MLYSLVKKYLFSLDAEIAHEKVCQILRTLSSSPFLCRLIHSQWGYKNPKLENEILGLNFPNPLGLAAGFDKNASMLRALIAFGFGYLEAGTLTNIAQSGNEKPRLFRHIEEESLQNAMGFNNYGAILGVRAFNRFAPYKTPIGINLGKNKHIEQAHALEDYQAVLNQCLNIGDYYTFNLSSPNTPNLRDLQNKVFVNELFCMAKEMTHKPLFLKIAPDLEIDSMLEVVNSAIEAGANGIIATNTTIDKSLVFAPKEMGGLSGKCLTKKSREIFKELAKAFFNKSVLVSVGGISDAKEAYERIKMGASLLQIYSAFIYKGPNLCQNILKDLVKLLQKDGFLSVKEAIGADLR
Consensus
[pKd Mean = 4.88]
-674
(s=312)
32
(s=15)
MLYSLVKKYLFSLDAEIAHEKVCQILRTLSSSPFLCRLIHSQWGYKNPKLENEILGLNFPNPLGLAAGFDKNASMLRALIAFGFGYLEAGTLTNIAQSGNEKPRLFRHIEEESLQNAMGFNNYGAILGVRAFNRFAPYKTPIGINLGKNKHIEQAHALEDYQAVLNQCLNIGDYYTFNLSSPNTPNLRDLQNKVFVNELFCMAKEMTHKPLFLKIAPDLEIDSMLEVVNSAIEAGANGIIATNTTIDKSLVFAPKEMGGLSGKCLTKKSREIFKELAKAFFNKSVLVSVGGISDAKEAYERIKMGASLLQIYSAFIYKGPNLCQNILKDLVKLLQKDGFLSVKEAIGADLR