Study : Wbm0393 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: NACID_H_13(4G7Z) / Model_40(4G7Z/F) = [9.4] Download--MSTINNSEDKKKIIRDLVTKSIKKGGFITFDDINDKLSDENLSSDFIDDTISLLQDSGINILESSEDEEEAPSNSDDSKLDDDDALSNTTTTLVQNDDPVRVYLQDMSSVKLLSRTDEIEIAKKIESEKHNMLRAIIETSVTLKMIKAWRDDLSSGSLLLREIIDLDAIYNSDFNAIPKEESEESIEDDKDSENVSEGTKDDEYCEDDEIDSKKGNDEKENSNEDINSANLNVSILEMENDLLPKVIVALDEIITLADEALTLRKDPSGGLRYQNLYDQIWSIVLQIKLSDTAVAKITQKLYNINRSIMLEEANLISEAKKYNIDRESFLKVYADVLLRYKLEEISSLKSSENQFCFTGELKNKFVKFIDDNFEHIADTLNNIKQHIQEDNVQEFKELIKRTQKHEREVSEAKQGMIKANLRLVVSIAKKYSNRGLALLDLIQEGNIGLMKAVDKFDYKRGYKFSTYGTWWVRQSITRAIPEQSKVVRIPVHMVEIISKINRALRKLTHEMGREPTLEELSMELGMPLERIRKVMKIARDPVSLDAPTGKDDSSTFGDCIEDKRVSKPEDAAILTDLRCITTNLLATLTPKEERIIRMRFGLGKDCKEHTLEEIGCIFKVTRERIRQVESKALRKLKHPCRARKLRGFF
Complex: NACID_R_15(4G7Z) / Model_39(4G7Z/P) = [10.1] Download--MSTINNSEDKKKIIRDLVTKSIKKGGFITFDDINDKLSDENLSSDFIDDTISLLQDSGINILESSEDEEEAPSNSDDSKLDDDDALSNTTTTLVQNDDPVRVYLQDMSSVKLLSRTDEIEIAKKIESEKHNMLRAIIETSVTLKMIKAWRDDLSSGSLLLREIIDLDAIYNSDFNAIPKEESEESIEDDKDSENVSEGTKDDEYCEDDEIDSKKGNDEKENSNEDINSANLNVSILEMENDLLPKVIVALDEIITLADEALTLRKDPSGGLRYQNLYDQIWSIVLQIKLSDTAVAKITQKLYNINRSIMLEEANLISEAKKYNIDRESFLKVYADVLLRYKLEEISSLKSSENQFCFTGELKNKFVKFIDDNFEHIADTLNNIKQHIQEDNVQEFKELIKRTQKHEREVSEAKQGMIKANLRLVVSIAKKYSNRGLALLDLIQEGNIGLMKAVDKFDYKRGYKFSTYGTWWVRQSITRAIPEQSKVVRIPVHMVEIISKINRALRKLTHEMGREPTLEELSMELGMPLERIRKVMKIARDPVSLDAPTGKDDSSTFGDCIEDKRVSKPEDAAILTDLRCITTNLLATLTPKEERIIRMRFGLGKDCKEHTLEEIGCIFKVTRERIRQVESKALRKLKHPCRARKLRGFF
Complex: CHAIN_H_8(4Q4Z) / Model_26(4Q4Z/F) = [10.8] Download--MSTINNSEDKKKIIRDLVTKSIKKGGFITFDDINDKLSDENLSSDFIDDTISLLQDSGINILESSEDEEEAPSNSDDSKLDDDDALSNTTTTLVQNDDPVRVYLQDMSSVKLLSRTDEIEIAKKIESEKHNMLRAIIETSVTLKMIKAWRDDLSSGSLLLREIIDLDAIYNSDFNAIPKEESEESIEDDKDSENVSEGTKDDEYCEDDEIDSKKGNDEKENSNEDINSANLNVSILEMENDLLPKVIVALDEIITLADEALTLRKDPSGGLRYQNLYDQIWSIVLQIKLSDTAVAKITQKLYNINRSIMLEEANLISEAKKYNIDRESFLKVYADVLLRYKLEEISSLKSSENQFCFTGELKNKFVKFIDDNFEHIADTLNNIKQHIQEDNVQEFKELIKRTQKHEREVSEAKQGMIKANLRLVVSIAKKYSNRGLALLDLIQEGNIGLMKAVDKFDYKRGYKFSTYGTWWVRQSITRAIPEQSKVVRIPVHMVEIISKINRALRKLTHEMGREPTLEELSMELGMPLERIRKVMKIARDPVSLDAPTGKDDSSTFGDCIEDKRVSKPEDAAILTDLRCITTNLLATLTPKEERIIRMRFGLGKDCKEHTLEEIGCIFKVTRERIRQVESKALRKLKHPCRARKLRGFF
Complex: NACID_H_8(4OIR) / Model_34(4OIR/F) = [10.9] Download--MSTINNSEDKKKIIRDLVTKSIKKGGFITFDDINDKLSDENLSSDFIDDTISLLQDSGINILESSEDEEEAPSNSDDSKLDDDDALSNTTTTLVQNDDPVRVYLQDMSSVKLLSRTDEIEIAKKIESEKHNMLRAIIETSVTLKMIKAWRDDLSSGSLLLREIIDLDAIYNSDFNAIPKEESEESIEDDKDSENVSEGTKDDEYCEDDEIDSKKGNDEKENSNEDINSANLNVSILEMENDLLPKVIVALDEIITLADEALTLRKDPSGGLRYQNLYDQIWSIVLQIKLSDTAVAKITQKLYNINRSIMLEEANLISEAKKYNIDRESFLKVYADVLLRYKLEEISSLKSSENQFCFTGELKNKFVKFIDDNFEHIADTLNNIKQHIQEDNVQEFKELIKRTQKHEREVSEAKQGMIKANLRLVVSIAKKYSNRGLALLDLIQEGNIGLMKAVDKFDYKRGYKFSTYGTWWVRQSITRAIPEQSKVVRIPVHMVEIISKINRALRKLTHEMGREPTLEELSMELGMPLERIRKVMKIARDPVSLDAPTGKDDSSTFGDCIEDKRVSKPEDAAILTDLRCITTNLLATLTPKEERIIRMRFGLGKDCKEHTLEEIGCIFKVTRERIRQVESKALRKLKHPCRARKLRGFF
Complex: NACID_H_8(4OIO) / Model_37(4OIO/F) = [10.9] Download--MSTINNSEDKKKIIRDLVTKSIKKGGFITFDDINDKLSDENLSSDFIDDTISLLQDSGINILESSEDEEEAPSNSDDSKLDDDDALSNTTTTLVQNDDPVRVYLQDMSSVKLLSRTDEIEIAKKIESEKHNMLRAIIETSVTLKMIKAWRDDLSSGSLLLREIIDLDAIYNSDFNAIPKEESEESIEDDKDSENVSEGTKDDEYCEDDEIDSKKGNDEKENSNEDINSANLNVSILEMENDLLPKVIVALDEIITLADEALTLRKDPSGGLRYQNLYDQIWSIVLQIKLSDTAVAKITQKLYNINRSIMLEEANLISEAKKYNIDRESFLKVYADVLLRYKLEEISSLKSSENQFCFTGELKNKFVKFIDDNFEHIADTLNNIKQHIQEDNVQEFKELIKRTQKHEREVSEAKQGMIKANLRLVVSIAKKYSNRGLALLDLIQEGNIGLMKAVDKFDYKRGYKFSTYGTWWVRQSITRAIPEQSKVVRIPVHMVEIISKINRALRKLTHEMGREPTLEELSMELGMPLERIRKVMKIARDPVSLDAPTGKDDSSTFGDCIEDKRVSKPEDAAILTDLRCITTNLLATLTPKEERIIRMRFGLGKDCKEHTLEEIGCIFKVTRERIRQVESKALRKLKHPCRARKLRGFF
Consensus
[pKd Mean = 10.42]
-0
(s=0)
0
(s=0)
MSTINNSEDKKKIIRDLVTKSIKKGGFITFDDINDKLSDENLSSDFIDDTISLLQDSGINILESSEDEEEAPSNSDDSKLDDDDALSNTTTTLVQNDDPVRVYLQDMSSVKLLSRTDEIEIAKKIESEKHNMLRAIIETSVTLKMIKAWRDDLSSGSLLLREIIDLDAIYNSDFNAIPKEESEESIEDDKDSENVSEGTKDDEYCEDDEIDSKKGNDEKENSNEDINSANLNVSILEMENDLLPKVIVALDEIITLADEALTLRKDPSGGLRYQNLYDQIWSIVLQIKLSDTAVAKITQKLYNINRSIMLEEANLISEAKKYNIDRESFLKVYADVLLRYKLEEISSLKSSENQFCFTGELKNKFVKFIDDNFEHIADTLNNIKQHIQEDNVQEFKELIKRTQKHEREVSEAKQGMIKANLRLVVSIAKKYSNRGLALLDLIQEGNIGLMKAVDKFDYKRGYKFSTYGTWWVRQSITRAIPEQSKVVRIPVHMVEIISKINRALRKLTHEMGREPTLEELSMELGMPLERIRKVMKIARDPVSLDAPTGKDDSSTFGDCIEDKRVSKPEDAAILTDLRCITTNLLATLTPKEERIIRMRFGLGKDCKEHTLEEIGCIFKVTRERIRQVESKALRKLKHPCRARKLRGFF