Study : Lmo1901 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: FG6_A_4(3IVX) / Model_76(3IVX/A) = [3.1] Download988.878.23MLIIRNKQELKEVILKQKQANKTIGFVPTMGFLHEGHMTLVSHARKESDFVVMSVFVNPTQFGPNEDFDAYPRDEAHDAKLAEEGGVDILFVPTVEEIYPTELSTKLHVDKRVSVLDGADREGHFDGVVTVLTKLFHLVSPDNAYFGQKDAQQVAVVSGLVEDYFFPVNLRIIATVREADGLAKSSRNVYLTEKERKEAPVIHEALQLGRKLIESGETNQAKIVQMMTEKINEQTSHELIAYLAIYSYPEFTPVTDWSKGIIIAAAVKYSKARLIDNELINVKRR
Complex: GOL_A_5(3MUE) / Model_13(3MUE/A) = [3.1] Download487.7749.85MLIIRNKQELKEVILKQKQANKTIGFVPTMGFLHEGHMTLVSHARKESDFVVMSVFVNPTQFGPNEDFDAYPRDEAHDAKLAEEGGVDILFVPTVEEIYPTELSTKLHVDKRVSVLDGADREGHFDGVVTVLTKLFHLVSPDNAYFGQKDAQQVAVVSGLVEDYFFPVNLRIIATVREADGLAKSSRNVYLTEKERKEAPVIHEALQLGRKLIESGETNQAKIVQMMTEKINEQTSHELIAYLAIYSYPEFTPVTDWSKGIIIAAAVKYSKARLIDNELINVKRR
Complex: 0OC_A_3(4EFK) / Model_62(4EFK/A) = [3.2] Download438.5544.35MLIIRNKQELKEVILKQKQANKTIGFVPTMGFLHEGHMTLVSHARKESDFVVMSVFVNPTQFGPNEDFDAYPRDEAHDAKLAEEGGVDILFVPTVEEIYPTELSTKLHVDKRVSVLDGADREGHFDGVVTVLTKLFHLVSPDNAYFGQKDAQQVAVVSGLVEDYFFPVNLRIIATVREADGLAKSSRNVYLTEKERKEAPVIHEALQLGRKLIESGETNQAKIVQMMTEKINEQTSHELIAYLAIYSYPEFTPVTDWSKGIIIAAAVKYSKARLIDNELINVKRR
Complex: BZ2_A_3(3IME) / Model_98(3IME/A) = [3.3] Download499.2835.96MLIIRNKQELKEVILKQKQANKTIGFVPTMGFLHEGHMTLVSHARKESDFVVMSVFVNPTQFGPNEDFDAYPRDEAHDAKLAEEGGVDILFVPTVEEIYPTELSTKLHVDKRVSVLDGADREGHFDGVVTVLTKLFHLVSPDNAYFGQKDAQQVAVVSGLVEDYFFPVNLRIIATVREADGLAKSSRNVYLTEKERKEAPVIHEALQLGRKLIESGETNQAKIVQMMTEKINEQTSHELIAYLAIYSYPEFTPVTDWSKGIIIAAAVKYSKARLIDNELINVKRR
Complex: EOH_A_12(3MUE) / Model_13(3MUE/A) = [3.3] Download486.4937.50MLIIRNKQELKEVILKQKQANKTIGFVPTMGFLHEGHMTLVSHARKESDFVVMSVFVNPTQFGPNEDFDAYPRDEAHDAKLAEEGGVDILFVPTVEEIYPTELSTKLHVDKRVSVLDGADREGHFDGVVTVLTKLFHLVSPDNAYFGQKDAQQVAVVSGLVEDYFFPVNLRIIATVREADGLAKSSRNVYLTEKERKEAPVIHEALQLGRKLIESGETNQAKIVQMMTEKINEQTSHELIAYLAIYSYPEFTPVTDWSKGIIIAAAVKYSKARLIDNELINVKRR
Consensus
[pKd Mean = 3.20]
-580
(s=205)
35
(s=14)
MLIIRNKQELKEVILKQKQANKTIGFVPTMGFLHEGHMTLVSHARKESDFVVMSVFVNPTQFGPNEDFDAYPRDEAHDAKLAEEGGVDILFVPTVEEIYPTELSTKLHVDKRVSVLDGADREGHFDGVVTVLTKLFHLVSPDNAYFGQKDAQQVAVVSGLVEDYFFPVNLRIIATVREADGLAKSSRNVYLTEKERKEAPVIHEALQLGRKLIESGETNQAKIVQMMTEKINEQTSHELIAYLAIYSYPEFTPVTDWSKGIIIAAAVKYSKARLIDNELINVKRR