Study : PF00491_ARGI1_BOVIN (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C12_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 C12_S1
Complex: ABH_A_5(3E6K) / Model_3(3E6K/A) = [3.1] Download492.56-13.19MSSKPQSIGVIGAPFSKGQPRGGVEEGPTVLRKAGLLEKLKELECDVKDYGDLSFADNLDDSPFQIVKNPRCVGKASEKLADVVAEVKKTGRISLVLGGDHSLAIGSISGHARVHPDLCVIWVDAHTDINTPLTTKTGNLHGQPVSFLLKELKEKMPEVPGFYWVAPCISAKDIVYIGLRDVDPGEHYILKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPSFTPATGTPVQGGLTYREGLYITEEIYKTGLLSGLDIMEVNPSLGKTPEEVTRTVNTTVAITMACFGVAREGNHKPIDYLSPPK
Complex: X7A_A_3(4HWW) / Model_4(4HWW/A) = [3.1] Download721.22-10.05MSSKPQSIGVIGAPFSKGQPRGGVEEGPTVLRKAGLLEKLKELECDVKDYGDLSFADNLDDSPFQIVKNPRCVGKASEKLADVVAEVKKTGRISLVLGGDHSLAIGSISGHARVHPDLCVIWVDAHTDINTPLTTKTGNLHGQPVSFLLKELKEKMPEVPGFYWVAPCISAKDIVYIGLRDVDPGEHYILKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPSFTPATGTPVQGGLTYREGLYITEEIYKTGLLSGLDIMEVNPSLGKTPEEVTRTVNTTVAITMACFGVAREGNHKPIDYLSPPK
Complex: ORN_B_9(3THJ) / Model_21(3THJ/B) = [3.1] Download451.69-20.71MSSKPQSIGVIGAPFSKGQPRGGVEEGPTVLRKAGLLEKLKELECDVKDYGDLSFADNLDDSPFQIVKNPRCVGKASEKLADVVAEVKKTGRISLVLGGDHSLAIGSISGHARVHPDLCVIWVDAHTDINTPLTTKTGNLHGQPVSFLLKELKEKMPEVPGFYWVAPCISAKDIVYIGLRDVDPGEHYILKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPSFTPATGTPVQGGLTYREGLYITEEIYKTGLLSGLDIMEVNPSLGKTPEEVTRTVNTTVAITMACFGVAREGNHKPIDYLSPPK
Complex: ABH_A_5(3E6V) / Model_2(3E6V/A) = [3.1] Download462.29-18.37MSSKPQSIGVIGAPFSKGQPRGGVEEGPTVLRKAGLLEKLKELECDVKDYGDLSFADNLDDSPFQIVKNPRCVGKASEKLADVVAEVKKTGRISLVLGGDHSLAIGSISGHARVHPDLCVIWVDAHTDINTPLTTKTGNLHGQPVSFLLKELKEKMPEVPGFYWVAPCISAKDIVYIGLRDVDPGEHYILKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPSFTPATGTPVQGGLTYREGLYITEEIYKTGLLSGLDIMEVNPSLGKTPEEVTRTVNTTVAITMACFGVAREGNHKPIDYLSPPK
Complex: S2C_A_7(1WVB) / Model_1(1WVB/A) = [3.2] Download361.92-20.71MSSKPQSIGVIGAPFSKGQPRGGVEEGPTVLRKAGLLEKLKELECDVKDYGDLSFADNLDDSPFQIVKNPRCVGKASEKLADVVAEVKKTGRISLVLGGDHSLAIGSISGHARVHPDLCVIWVDAHTDINTPLTTKTGNLHGQPVSFLLKELKEKMPEVPGFYWVAPCISAKDIVYIGLRDVDPGEHYILKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPSFTPATGTPVQGGLTYREGLYITEEIYKTGLLSGLDIMEVNPSLGKTPEEVTRTVNTTVAITMACFGVAREGNHKPIDYLSPPK
Consensus
[pKd Mean = 3.12]
-497
(s=119)
-16
(s=4)
MSSKPQSIGVIGAPFSKGQPRGGVEEGPTVLRKAGLLEKLKELECDVKDYGDLSFADNLDDSPFQIVKNPRCVGKASEKLADVVAEVKKTGRISLVLGGDHSLAIGSISGHARVHPDLCVIWVDAHTDINTPLTTKTGNLHGQPVSFLLKELKEKMPEVPGFYWVAPCISAKDIVYIGLRDVDPGEHYILKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPSFTPATGTPVQGGLTYREGLYITEEIYKTGLLSGLDIMEVNPSLGKTPEEVTRTVNTTVAITMACFGVAREGNHKPIDYLSPPK