Study : jhp_1464 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: CTJ_A_2(3OCN) / Model_1(3OCN/A) = [4.4] Download889.0115.27MDNKNIDPCFNPEQFLETQKYKGVVTALIFLLLFFIFLMVAFKKAFFAQANMPTLVMIKQDTATRGTIYSQDNYSLATSQTLFKLGFDTRFLNPNKEDFFIDFLSIYSNIPKESLKDALNTKGYTILAYNLTPNMAANIRDLNKKFLAFGVFQNFKDAHDKVWQKQGLNIEVSGVSRHYPYQNSLEPIIGYVQKQEEDKLTLTTGKKGVEKSQNNLLEAQQNGIRSGKRDVSFNFIQNHSYTEVERLDGYEVYLSVPLKLQREIETLLDKTKDKLRAKEILVGIINPKSGEILSLASSNRFDPNAIKTSDYENLNLSVAEKVFEPGSTIKPIVYSLLLDKNLINPKERIDLNHGYYQLGKYTIKDDFIPSKKAVVEDVLIQSSNVGMIKISKSLNPEDFYNGLLGYGFSQKTGIDLSLEATGKIPPLSAFKREVLKGSVSYGYGLNATFLQLLRAYAVFSNEGKLTTPYLVQRETAPNGDIYIPSPKPTFQVISPKSARKMKETLIKVVRYGTGKNAQFEGLYIGGKTGTARVAKNGSYSAESYNSSFFGFAEDERQVFTIGVVILGSHGKEEYYASKIAAPIFKEITEILVRYNYLSPSIAIQNALEKNRLK
Complex: JPP_A_3(4KQO) / Model_2(4KQO/A) = [7.3] Download1173.6426.26MDNKNIDPCFNPEQFLETQKYKGVVTALIFLLLFFIFLMVAFKKAFFAQANMPTLVMIKQDTATRGTIYSQDNYSLATSQTLFKLGFDTRFLNPNKEDFFIDFLSIYSNIPKESLKDALNTKGYTILAYNLTPNMAANIRDLNKKFLAFGVFQNFKDAHDKVWQKQGLNIEVSGVSRHYPYQNSLEPIIGYVQKQEEDKLTLTTGKKGVEKSQNNLLEAQQNGIRSGKRDVSFNFIQNHSYTEVERLDGYEVYLSVPLKLQREIETLLDKTKDKLRAKEILVGIINPKSGEILSLASSNRFDPNAIKTSDYENLNLSVAEKVFEPGSTIKPIVYSLLLDKNLINPKERIDLNHGYYQLGKYTIKDDFIPSKKAVVEDVLIQSSNVGMIKISKSLNPEDFYNGLLGYGFSQKTGIDLSLEATGKIPPLSAFKREVLKGSVSYGYGLNATFLQLLRAYAVFSNEGKLTTPYLVQRETAPNGDIYIPSPKPTFQVISPKSARKMKETLIKVVRYGTGKNAQFEGLYIGGKTGTARVAKNGSYSAESYNSSFFGFAEDERQVFTIGVVILGSHGKEEYYASKIAAPIFKEITEILVRYNYLSPSIAIQNALEKNRLK
Consensus
[pKd Mean = 5.85]
-1031
(s=142)
20
(s=5)
MDNKNIDPCFNPEQFLETQKYKGVVTALIFLLLFFIFLMVAFKKAFFAQANMPTLVMIKQDTATRGTIYSQDNYSLATSQTLFKLGFDTRFLNPNKEDFFIDFLSIYSNIPKESLKDALNTKGYTILAYNLTPNMAANIRDLNKKFLAFGVFQNFKDAHDKVWQKQGLNIEVSGVSRHYPYQNSLEPIIGYVQKQEEDKLTLTTGKKGVEKSQNNLLEAQQNGIRSGKRDVSFNFIQNHSYTEVERLDGYEVYLSVPLKLQREIETLLDKTKDKLRAKEILVGIINPKSGEILSLASSNRFDPNAIKTSDYENLNLSVAEKVFEPGSTIKPIVYSLLLDKNLINPKERIDLNHGYYQLGKYTIKDDFIPSKKAVVEDVLIQSSNVGMIKISKSLNPEDFYNGLLGYGFSQKTGIDLSLEATGKIPPLSAFKREVLKGSVSYGYGLNATFLQLLRAYAVFSNEGKLTTPYLVQRETAPNGDIYIPSPKPTFQVISPKSARKMKETLIKVVRYGTGKNAQFEGLYIGGKTGTARVAKNGSYSAESYNSSFFGFAEDERQVFTIGVVILGSHGKEEYYASKIAAPIFKEITEILVRYNYLSPSIAIQNALEKNRLK