Study : bsu31170 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: FMT_A_5(4NHE) / Model_1(4NHE/A) = [3.2] Download494.289.67MIRFAIIGTNWITDRFLESAADIEDFQLTAVYSRSAERAGEFAAKHNAAHAFSDLQEMAASDCFDAVYIASPNALHKEQAVLFMNHGKHVLCEKPFASNTKETEEMISAAKANGVVLMEAMKTTFLPNFKELKKHLHKIGTVRRFTASYCQYSSRYDAFRSGTVLNAFQPELSNGSLMDIGVYCIYPAVVLFGAPKDVKANGYALSSGVDGEGTVILSYDGFEAVLMHSKISTSYAPAEIQGEDGTIVIDTIHRPERVEIRYRDGRLENIAIPDPKPAMFYEAEEFVTLIKENKLESEENTFERSLTTAKIMEEARKQMGIVYPADQA
Complex: NAP_A_4(4NHE) / Model_37(4NHE/A) = [8.0] Download1745.4718.35MIRFAIIGTNWITDRFLESAADIEDFQLTAVYSRSAERAGEFAAKHNAAHAFSDLQEMAASDCFDAVYIASPNALHKEQAVLFMNHGKHVLCEKPFASNTKETEEMISAAKANGVVLMEAMKTTFLPNFKELKKHLHKIGTVRRFTASYCQYSSRYDAFRSGTVLNAFQPELSNGSLMDIGVYCIYPAVVLFGAPKDVKANGYALSSGVDGEGTVILSYDGFEAVLMHSKISTSYAPAEIQGEDGTIVIDTIHRPERVEIRYRDGRLENIAIPDPKPAMFYEAEEFVTLIKENKLESEENTFERSLTTAKIMEEARKQMGIVYPADQA
Complex: NAP_A_4(4NHE) / Model_1(4NHE/A) = [8.0] Download1508.8514.97MIRFAIIGTNWITDRFLESAADIEDFQLTAVYSRSAERAGEFAAKHNAAHAFSDLQEMAASDCFDAVYIASPNALHKEQAVLFMNHGKHVLCEKPFASNTKETEEMISAAKANGVVLMEAMKTTFLPNFKELKKHLHKIGTVRRFTASYCQYSSRYDAFRSGTVLNAFQPELSNGSLMDIGVYCIYPAVVLFGAPKDVKANGYALSSGVDGEGTVILSYDGFEAVLMHSKISTSYAPAEIQGEDGTIVIDTIHRPERVEIRYRDGRLENIAIPDPKPAMFYEAEEFVTLIKENKLESEENTFERSLTTAKIMEEARKQMGIVYPADQA
Consensus
[pKd Mean = 6.40]
-1249
(s=542)
14
(s=3)
MIRFAIIGTNWITDRFLESAADIEDFQLTAVYSRSAERAGEFAAKHNAAHAFSDLQEMAASDCFDAVYIASPNALHKEQAVLFMNHGKHVLCEKPFASNTKETEEMISAAKANGVVLMEAMKTTFLPNFKELKKHLHKIGTVRRFTASYCQYSSRYDAFRSGTVLNAFQPELSNGSLMDIGVYCIYPAVVLFGAPKDVKANGYALSSGVDGEGTVILSYDGFEAVLMHSKISTSYAPAEIQGEDGTIVIDTIHRPERVEIRYRDGRLENIAIPDPKPAMFYEAEEFVTLIKENKLESEENTFERSLTTAKIMEEARKQMGIVYPADQA