Study : jhp_0505 (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: DAO_C_3(2GFY) / Model_17(2GFY/A) = [3.1] Download752.8423.05MRRIVVTGMGMINSLGLNKEDSFLAIAKGECGIKNIESFDANAFPVRIAGEITDFDPTEVMNPKDVKKAGRFIQLALKATREAMKDSGILDAHNRCPEELANRMGVSSGSGIGGLGNIEANSIFCFEKGPRKVNPFFITSALVNMIGGFTSIEFGIKGPNLSSVTACAAGTHAIIEAVKTILLNGADRMLVVGAESTICPVGIGGFASIKALSTRNDDPKKASRPFDKDRNGFVMGEGAGALVLEEYESAKKRGAKIYAEFAGYGESGDANHITAPAPEGEGAFRAMKMALEMAKVEVGYVNAHGTSTHYNDWYESIALKNVFGSKEKVPPVSSTKGQIGHCLGAAGALEAVISIMAMNQGILPPTINQETPDPECDLDYIPNTAREKQVNAVMSNSFGFGGTNGVVIFKKA
Complex: CER_A_3(1B3N) / Model_14(1B3N/A) = [3.3] Download833.7119.88MRRIVVTGMGMINSLGLNKEDSFLAIAKGECGIKNIESFDANAFPVRIAGEITDFDPTEVMNPKDVKKAGRFIQLALKATREAMKDSGILDAHNRCPEELANRMGVSSGSGIGGLGNIEANSIFCFEKGPRKVNPFFITSALVNMIGGFTSIEFGIKGPNLSSVTACAAGTHAIIEAVKTILLNGADRMLVVGAESTICPVGIGGFASIKALSTRNDDPKKASRPFDKDRNGFVMGEGAGALVLEEYESAKKRGAKIYAEFAGYGESGDANHITAPAPEGEGAFRAMKMALEMAKVEVGYVNAHGTSTHYNDWYESIALKNVFGSKEKVPPVSSTKGQIGHCLGAAGALEAVISIMAMNQGILPPTINQETPDPECDLDYIPNTAREKQVNAVMSNSFGFGGTNGVVIFKKA
Complex: 6NA_B_5(2IX4) / Model_39(2IX4/B) = [3.4] Download364.9413.79MRRIVVTGMGMINSLGLNKEDSFLAIAKGECGIKNIESFDANAFPVRIAGEITDFDPTEVMNPKDVKKAGRFIQLALKATREAMKDSGILDAHNRCPEELANRMGVSSGSGIGGLGNIEANSIFCFEKGPRKVNPFFITSALVNMIGGFTSIEFGIKGPNLSSVTACAAGTHAIIEAVKTILLNGADRMLVVGAESTICPVGIGGFASIKALSTRNDDPKKASRPFDKDRNGFVMGEGAGALVLEEYESAKKRGAKIYAEFAGYGESGDANHITAPAPEGEGAFRAMKMALEMAKVEVGYVNAHGTSTHYNDWYESIALKNVFGSKEKVPPVSSTKGQIGHCLGAAGALEAVISIMAMNQGILPPTINQETPDPECDLDYIPNTAREKQVNAVMSNSFGFGGTNGVVIFKKA
Complex: 1XG_B_10(4LS8) / Model_22(4LS8/B) = [3.5] Download842.1022.77MRRIVVTGMGMINSLGLNKEDSFLAIAKGECGIKNIESFDANAFPVRIAGEITDFDPTEVMNPKDVKKAGRFIQLALKATREAMKDSGILDAHNRCPEELANRMGVSSGSGIGGLGNIEANSIFCFEKGPRKVNPFFITSALVNMIGGFTSIEFGIKGPNLSSVTACAAGTHAIIEAVKTILLNGADRMLVVGAESTICPVGIGGFASIKALSTRNDDPKKASRPFDKDRNGFVMGEGAGALVLEEYESAKKRGAKIYAEFAGYGESGDANHITAPAPEGEGAFRAMKMALEMAKVEVGYVNAHGTSTHYNDWYESIALKNVFGSKEKVPPVSSTKGQIGHCLGAAGALEAVISIMAMNQGILPPTINQETPDPECDLDYIPNTAREKQVNAVMSNSFGFGGTNGVVIFKKA
Complex: 1XG_A_3(4LS8) / Model_4(4LS8/A) = [3.8] Download779.5221.93MRRIVVTGMGMINSLGLNKEDSFLAIAKGECGIKNIESFDANAFPVRIAGEITDFDPTEVMNPKDVKKAGRFIQLALKATREAMKDSGILDAHNRCPEELANRMGVSSGSGIGGLGNIEANSIFCFEKGPRKVNPFFITSALVNMIGGFTSIEFGIKGPNLSSVTACAAGTHAIIEAVKTILLNGADRMLVVGAESTICPVGIGGFASIKALSTRNDDPKKASRPFDKDRNGFVMGEGAGALVLEEYESAKKRGAKIYAEFAGYGESGDANHITAPAPEGEGAFRAMKMALEMAKVEVGYVNAHGTSTHYNDWYESIALKNVFGSKEKVPPVSSTKGQIGHCLGAAGALEAVISIMAMNQGILPPTINQETPDPECDLDYIPNTAREKQVNAVMSNSFGFGGTNGVVIFKKA
Consensus
[pKd Mean = 3.42]
-714
(s=177)
20
(s=3)
MRRIVVTGMGMINSLGLNKEDSFLAIAKGECGIKNIESFDANAFPVRIAGEITDFDPTEVMNPKDVKKAGRFIQLALKATREAMKDSGILDAHNRCPEELANRMGVSSGSGIGGLGNIEANSIFCFEKGPRKVNPFFITSALVNMIGGFTSIEFGIKGPNLSSVTACAAGTHAIIEAVKTILLNGADRMLVVGAESTICPVGIGGFASIKALSTRNDDPKKASRPFDKDRNGFVMGEGAGALVLEEYESAKKRGAKIYAEFAGYGESGDANHITAPAPEGEGAFRAMKMALEMAKVEVGYVNAHGTSTHYNDWYESIALKNVFGSKEKVPPVSSTKGQIGHCLGAAGALEAVISIMAMNQGILPPTINQETPDPECDLDYIPNTAREKQVNAVMSNSFGFGGTNGVVIFKKA