Study : A8LMB5_DINSH (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: GDP_A_2(3TDW) / Model_43(3TDW/A) = [3.2] Download869.8223.81MTPGDRMMASALGSWTRLAPFAGLDPAAFEAEELWRREDPGQVRIVLRMRGGAGQDLVFKRVFQPQDRGRWAEALDGQRRAVRALMRDPVHVPPAILAEDAETLSTVQDFVPGRTLQDHMLLRFDKPGARAQVLQRAGRFLAAFHGATAEGDKPFNPATMLDYIRALGRRALSGDLTLADPDLFAVLAEGLEAAAQTAAGQPVRVAAQHGDLHARNLIVSGKRATLIDFAQDRSAPVQYDMARLIVDLGARFSGDAAPEATCGLPAADLAALSDGYGRDLSQDACLAFLCRCRVLQDWAALPAVASQRSAFQQERLLQLQKTATRLAAA
Complex: EDO_A_16(3CSV) / Model_23(3CSV/A) = [3.3] Download515.197.91MTPGDRMMASALGSWTRLAPFAGLDPAAFEAEELWRREDPGQVRIVLRMRGGAGQDLVFKRVFQPQDRGRWAEALDGQRRAVRALMRDPVHVPPAILAEDAETLSTVQDFVPGRTLQDHMLLRFDKPGARAQVLQRAGRFLAAFHGATAEGDKPFNPATMLDYIRALGRRALSGDLTLADPDLFAVLAEGLEAAAQTAAGQPVRVAAQHGDLHARNLIVSGKRATLIDFAQDRSAPVQYDMARLIVDLGARFSGDAAPEATCGLPAADLAALSDGYGRDLSQDACLAFLCRCRVLQDWAALPAVASQRSAFQQERLLQLQKTATRLAAA
Consensus
[pKd Mean = 3.25]
-692
(s=177)
15
(s=7)
MTPGDRMMASALGSWTRLAPFAGLDPAAFEAEELWRREDPGQVRIVLRMRGGAGQDLVFKRVFQPQDRGRWAEALDGQRRAVRALMRDPVHVPPAILAEDAETLSTVQDFVPGRTLQDHMLLRFDKPGARAQVLQRAGRFLAAFHGATAEGDKPFNPATMLDYIRALGRRALSGDLTLADPDLFAVLAEGLEAAAQTAAGQPVRVAAQHGDLHARNLIVSGKRATLIDFAQDRSAPVQYDMARLIVDLGARFSGDAAPEATCGLPAADLAALSDGYGRDLSQDACLAFLCRCRVLQDWAALPAVASQRSAFQQERLLQLQKTATRLAAA