| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: BEN_A_6(3W5S) / Model_13(3W5S/A) = [3.6]
| Download | 441.96 | 41.57 | MQKVSFKTDLYIGQGATDRLLDFKDKQIFIVTDPFMVSSGMINAITDKIDQSNTYTIFSEIIPDPPIENVVAGIEVLNECDANLMIAIGGGSAIDAAKAMKFFGQKLGTVRAMPFIVIPTTSGTGSEVTSFSVITNKEKAIKYPLITDAILPDEAILDADLVKSVPPAITADTGMDVLTHALEAYVSTKANDYSDAMAEKVIQLVFTYLERAYKDGNDLEAREKMHNASCLAGMAFNITSLGLNHGIAHTAGAKFKIPHGRMNTLLLPHVISYNAGITSDFGNNPDNRAAERYTAIAKLLKMPASNTRLGVRSLINAIKQLQKKLNMPTTLTECGISRTDLNENIAQIAEGALNDGCTATNPRTPTETDVSAILEKMLA |
| Complex: NAD_B_7(2BL4) / Model_27(2BL4/B) = [6.0]
| Download | 1656.95 | 22.55 | MQKVSFKTDLYIGQGATDRLLDFKDKQIFIVTDPFMVSSGMINAITDKIDQSNTYTIFSEIIPDPPIENVVAGIEVLNECDANLMIAIGGGSAIDAAKAMKFFGQKLGTVRAMPFIVIPTTSGTGSEVTSFSVITNKEKAIKYPLITDAILPDEAILDADLVKSVPPAITADTGMDVLTHALEAYVSTKANDYSDAMAEKVIQLVFTYLERAYKDGNDLEAREKMHNASCLAGMAFNITSLGLNHGIAHTAGAKFKIPHGRMNTLLLPHVISYNAGITSDFGNNPDNRAAERYTAIAKLLKMPASNTRLGVRSLINAIKQLQKKLNMPTTLTECGISRTDLNENIAQIAEGALNDGCTATNPRTPTETDVSAILEKMLA |
| Complex: NAD_B_7(2BI4) / Model_28(2BI4/B) = [6.0]
| Download | 1405.66 | 23.04 | MQKVSFKTDLYIGQGATDRLLDFKDKQIFIVTDPFMVSSGMINAITDKIDQSNTYTIFSEIIPDPPIENVVAGIEVLNECDANLMIAIGGGSAIDAAKAMKFFGQKLGTVRAMPFIVIPTTSGTGSEVTSFSVITNKEKAIKYPLITDAILPDEAILDADLVKSVPPAITADTGMDVLTHALEAYVSTKANDYSDAMAEKVIQLVFTYLERAYKDGNDLEAREKMHNASCLAGMAFNITSLGLNHGIAHTAGAKFKIPHGRMNTLLLPHVISYNAGITSDFGNNPDNRAAERYTAIAKLLKMPASNTRLGVRSLINAIKQLQKKLNMPTTLTECGISRTDLNENIAQIAEGALNDGCTATNPRTPTETDVSAILEKMLA |
| Complex: NAD_A_4(2BL4) / Model_4(2BL4/A) = [6.5]
| Download | 1556.79 | 25.31 | MQKVSFKTDLYIGQGATDRLLDFKDKQIFIVTDPFMVSSGMINAITDKIDQSNTYTIFSEIIPDPPIENVVAGIEVLNECDANLMIAIGGGSAIDAAKAMKFFGQKLGTVRAMPFIVIPTTSGTGSEVTSFSVITNKEKAIKYPLITDAILPDEAILDADLVKSVPPAITADTGMDVLTHALEAYVSTKANDYSDAMAEKVIQLVFTYLERAYKDGNDLEAREKMHNASCLAGMAFNITSLGLNHGIAHTAGAKFKIPHGRMNTLLLPHVISYNAGITSDFGNNPDNRAAERYTAIAKLLKMPASNTRLGVRSLINAIKQLQKKLNMPTTLTECGISRTDLNENIAQIAEGALNDGCTATNPRTPTETDVSAILEKMLA |
| Complex: NAD_A_4(2BI4) / Model_3(2BI4/A) = [7.2]
| Download | 1478.38 | 26.87 | MQKVSFKTDLYIGQGATDRLLDFKDKQIFIVTDPFMVSSGMINAITDKIDQSNTYTIFSEIIPDPPIENVVAGIEVLNECDANLMIAIGGGSAIDAAKAMKFFGQKLGTVRAMPFIVIPTTSGTGSEVTSFSVITNKEKAIKYPLITDAILPDEAILDADLVKSVPPAITADTGMDVLTHALEAYVSTKANDYSDAMAEKVIQLVFTYLERAYKDGNDLEAREKMHNASCLAGMAFNITSLGLNHGIAHTAGAKFKIPHGRMNTLLLPHVISYNAGITSDFGNNPDNRAAERYTAIAKLLKMPASNTRLGVRSLINAIKQLQKKLNMPTTLTECGISRTDLNENIAQIAEGALNDGCTATNPRTPTETDVSAILEKMLA |
Consensus
[pKd Mean = 5.86] | - | 1307
(s=440) | 27
(s=7) | MQKVSFKTDLYIGQGATDRLLDFKDKQIFIVTDPFMVSSGMINAITDKIDQSNTYTIFSEIIPDPPIENVVAGIEVLNECDANLMIAIGGGSAIDAAKAMKFFGQKLGTVRAMPFIVIPTTSGTGSEVTSFSVITNKEKAIKYPLITDAILPDEAILDADLVKSVPPAITADTGMDVLTHALEAYVSTKANDYSDAMAEKVIQLVFTYLERAYKDGNDLEAREKMHNASCLAGMAFNITSLGLNHGIAHTAGAKFKIPHGRMNTLLLPHVISYNAGITSDFGNNPDNRAAERYTAIAKLLKMPASNTRLGVRSLINAIKQLQKKLNMPTTLTECGISRTDLNENIAQIAEGALNDGCTATNPRTPTETDVSAILEKMLA |