Study : Rv1380 (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: PCT_C_8(3AT1) / Model_99(3AT1/C) = [3.1] Download505.168.43MTPRHLLTAADLSRDDATAILDDADRFAQALVGRDIKKLPTLRGRTVVTMFYENSTRTRVSFEVAGKWMSADVINVSAAGSSVGKGESLRDTALTLRAAGADALIIRHPASGAAHLLAQWTGAHNDGPAVINAGDGTHEHPTQALLDALTIRQRLGGIEGRRIVIVGDILHSRVARSNVMLLDTLGAEVVLVAPPTLLPVGVTGWPATVSHDFDAELPAADAVLMLRVQAERMNGGFFPSVREYSVRYGLTERRQAMLPGHAVVLHPGPMVRGMEITSSVADSSQSAVLQQVSNGVQVRMAVLFHVLVGAQDAGKEGAA
Complex: PCT_A_7(3AT1) / Model_100(3AT1/A) = [3.1] Download266.418.43MTPRHLLTAADLSRDDATAILDDADRFAQALVGRDIKKLPTLRGRTVVTMFYENSTRTRVSFEVAGKWMSADVINVSAAGSSVGKGESLRDTALTLRAAGADALIIRHPASGAAHLLAQWTGAHNDGPAVINAGDGTHEHPTQALLDALTIRQRLGGIEGRRIVIVGDILHSRVARSNVMLLDTLGAEVVLVAPPTLLPVGVTGWPATVSHDFDAELPAADAVLMLRVQAERMNGGFFPSVREYSVRYGLTERRQAMLPGHAVVLHPGPMVRGMEITSSVADSSQSAVLQQVSNGVQVRMAVLFHVLVGAQDAGKEGAA
Complex: AL0_A_10(2AIR) / Model_73(2AIR/A) = [3.1] Download913.491.83MTPRHLLTAADLSRDDATAILDDADRFAQALVGRDIKKLPTLRGRTVVTMFYENSTRTRVSFEVAGKWMSADVINVSAAGSSVGKGESLRDTALTLRAAGADALIIRHPASGAAHLLAQWTGAHNDGPAVINAGDGTHEHPTQALLDALTIRQRLGGIEGRRIVIVGDILHSRVARSNVMLLDTLGAEVVLVAPPTLLPVGVTGWPATVSHDFDAELPAADAVLMLRVQAERMNGGFFPSVREYSVRYGLTERRQAMLPGHAVVLHPGPMVRGMEITSSVADSSQSAVLQQVSNGVQVRMAVLFHVLVGAQDAGKEGAA
Complex: EOP_A_7(2FZC) / Model_71(2FZC/A) = [3.3] Download1068.0010.90MTPRHLLTAADLSRDDATAILDDADRFAQALVGRDIKKLPTLRGRTVVTMFYENSTRTRVSFEVAGKWMSADVINVSAAGSSVGKGESLRDTALTLRAAGADALIIRHPASGAAHLLAQWTGAHNDGPAVINAGDGTHEHPTQALLDALTIRQRLGGIEGRRIVIVGDILHSRVARSNVMLLDTLGAEVVLVAPPTLLPVGVTGWPATVSHDFDAELPAADAVLMLRVQAERMNGGFFPSVREYSVRYGLTERRQAMLPGHAVVLHPGPMVRGMEITSSVADSSQSAVLQQVSNGVQVRMAVLFHVLVGAQDAGKEGAA
Complex: CP_B_11(3R7F) / Model_27(3R7F/B) = [3.5] Download177.3912.77MTPRHLLTAADLSRDDATAILDDADRFAQALVGRDIKKLPTLRGRTVVTMFYENSTRTRVSFEVAGKWMSADVINVSAAGSSVGKGESLRDTALTLRAAGADALIIRHPASGAAHLLAQWTGAHNDGPAVINAGDGTHEHPTQALLDALTIRQRLGGIEGRRIVIVGDILHSRVARSNVMLLDTLGAEVVLVAPPTLLPVGVTGWPATVSHDFDAELPAADAVLMLRVQAERMNGGFFPSVREYSVRYGLTERRQAMLPGHAVVLHPGPMVRGMEITSSVADSSQSAVLQQVSNGVQVRMAVLFHVLVGAQDAGKEGAA
Consensus
[pKd Mean = 3.22]
-586
(s=350)
8
(s=3)
MTPRHLLTAADLSRDDATAILDDADRFAQALVGRDIKKLPTLRGRTVVTMFYENSTRTRVSFEVAGKWMSADVINVSAAGSSVGKGESLRDTALTLRAAGADALIIRHPASGAAHLLAQWTGAHNDGPAVINAGDGTHEHPTQALLDALTIRQRLGGIEGRRIVIVGDILHSRVARSNVMLLDTLGAEVVLVAPPTLLPVGVTGWPATVSHDFDAELPAADAVLMLRVQAERMNGGFFPSVREYSVRYGLTERRQAMLPGHAVVLHPGPMVRGMEITSSVADSSQSAVLQQVSNGVQVRMAVLFHVLVGAQDAGKEGAA