| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: ADP_A_3(4BIX) / Model_11(4BIX/A) = [5.8]
| Download | 1389.64 | 25.78 | MNKVGFFRSIQFKITLIYVLLIIIAMQIIGVYFVNQVEKSLISSYEQSLNQRIDNLSYYIEQEYKSDNDSTVIKDDVSRILNDFTKSDEVREISFVDKSYEVVGSSKPYGEEVAGKQTTDLIFKRIFSTKQSYLRKYYDPKSKIRVLISAKPVMTENQEVVGAIYVVASMEDVFNQMKTINTILASGTGLALVLTALLGIFLARTITHPLSDMRKQAMELAKGNFSRKVKKYGHDEIGQLATTFNHLTRELEDAQAMTEGERRKLASVIAYMTDGVIATNRNGAIILLNSPALELLNVSRETALEMPITSLLGLQENYTFEDLVEQQDSMLLEIERDDELTVLRVNFSVIQREHGKIDGLIAVIYDVTEQEKMDQERREFVANVSHELRTPLTTMRSYLEALAEGAWENKDIAPRFLMVTQNETERMIRLVNDLLQLSKFDSKDYQFNREWIQIVRFMSLIIDRFEMTKEQHVEFIRNLPDRDLYVEIDQDKITQVLDNIISNALKYSPEGGHVTFSIDVNEEEELLYISVKDEGIGIPKKDVEKVFDRFYRVDKARTRKLGGTGLGLAIAKEMVQAHGGDIWADSIEGKGTTITFTLPYKEEQEDDWDEA |
| Complex: ATP_A_3(4BIV) / Model_15(4BIV/A) = [6.1]
| Download | 935.82 | 15.74 | MNKVGFFRSIQFKITLIYVLLIIIAMQIIGVYFVNQVEKSLISSYEQSLNQRIDNLSYYIEQEYKSDNDSTVIKDDVSRILNDFTKSDEVREISFVDKSYEVVGSSKPYGEEVAGKQTTDLIFKRIFSTKQSYLRKYYDPKSKIRVLISAKPVMTENQEVVGAIYVVASMEDVFNQMKTINTILASGTGLALVLTALLGIFLARTITHPLSDMRKQAMELAKGNFSRKVKKYGHDEIGQLATTFNHLTRELEDAQAMTEGERRKLASVIAYMTDGVIATNRNGAIILLNSPALELLNVSRETALEMPITSLLGLQENYTFEDLVEQQDSMLLEIERDDELTVLRVNFSVIQREHGKIDGLIAVIYDVTEQEKMDQERREFVANVSHELRTPLTTMRSYLEALAEGAWENKDIAPRFLMVTQNETERMIRLVNDLLQLSKFDSKDYQFNREWIQIVRFMSLIIDRFEMTKEQHVEFIRNLPDRDLYVEIDQDKITQVLDNIISNALKYSPEGGHVTFSIDVNEEEELLYISVKDEGIGIPKKDVEKVFDRFYRVDKARTRKLGGTGLGLAIAKEMVQAHGGDIWADSIEGKGTTITFTLPYKEEQEDDWDEA |
| Complex: ADP_C_8(4BIY) / Model_25(4BIY/C) = [6.3]
| Download | 856.18 | 17.96 | MNKVGFFRSIQFKITLIYVLLIIIAMQIIGVYFVNQVEKSLISSYEQSLNQRIDNLSYYIEQEYKSDNDSTVIKDDVSRILNDFTKSDEVREISFVDKSYEVVGSSKPYGEEVAGKQTTDLIFKRIFSTKQSYLRKYYDPKSKIRVLISAKPVMTENQEVVGAIYVVASMEDVFNQMKTINTILASGTGLALVLTALLGIFLARTITHPLSDMRKQAMELAKGNFSRKVKKYGHDEIGQLATTFNHLTRELEDAQAMTEGERRKLASVIAYMTDGVIATNRNGAIILLNSPALELLNVSRETALEMPITSLLGLQENYTFEDLVEQQDSMLLEIERDDELTVLRVNFSVIQREHGKIDGLIAVIYDVTEQEKMDQERREFVANVSHELRTPLTTMRSYLEALAEGAWENKDIAPRFLMVTQNETERMIRLVNDLLQLSKFDSKDYQFNREWIQIVRFMSLIIDRFEMTKEQHVEFIRNLPDRDLYVEIDQDKITQVLDNIISNALKYSPEGGHVTFSIDVNEEEELLYISVKDEGIGIPKKDVEKVFDRFYRVDKARTRKLGGTGLGLAIAKEMVQAHGGDIWADSIEGKGTTITFTLPYKEEQEDDWDEA |
| Complex: ADP_A_5(4BIY) / Model_12(4BIY/A) = [6.4]
| Download | 1018.96 | 22.29 | MNKVGFFRSIQFKITLIYVLLIIIAMQIIGVYFVNQVEKSLISSYEQSLNQRIDNLSYYIEQEYKSDNDSTVIKDDVSRILNDFTKSDEVREISFVDKSYEVVGSSKPYGEEVAGKQTTDLIFKRIFSTKQSYLRKYYDPKSKIRVLISAKPVMTENQEVVGAIYVVASMEDVFNQMKTINTILASGTGLALVLTALLGIFLARTITHPLSDMRKQAMELAKGNFSRKVKKYGHDEIGQLATTFNHLTRELEDAQAMTEGERRKLASVIAYMTDGVIATNRNGAIILLNSPALELLNVSRETALEMPITSLLGLQENYTFEDLVEQQDSMLLEIERDDELTVLRVNFSVIQREHGKIDGLIAVIYDVTEQEKMDQERREFVANVSHELRTPLTTMRSYLEALAEGAWENKDIAPRFLMVTQNETERMIRLVNDLLQLSKFDSKDYQFNREWIQIVRFMSLIIDRFEMTKEQHVEFIRNLPDRDLYVEIDQDKITQVLDNIISNALKYSPEGGHVTFSIDVNEEEELLYISVKDEGIGIPKKDVEKVFDRFYRVDKARTRKLGGTGLGLAIAKEMVQAHGGDIWADSIEGKGTTITFTLPYKEEQEDDWDEA |
| Complex: ATP_A_3(4CB0) / Model_16(4CB0/A) = [6.6]
| Download | 982.05 | 19.07 | MNKVGFFRSIQFKITLIYVLLIIIAMQIIGVYFVNQVEKSLISSYEQSLNQRIDNLSYYIEQEYKSDNDSTVIKDDVSRILNDFTKSDEVREISFVDKSYEVVGSSKPYGEEVAGKQTTDLIFKRIFSTKQSYLRKYYDPKSKIRVLISAKPVMTENQEVVGAIYVVASMEDVFNQMKTINTILASGTGLALVLTALLGIFLARTITHPLSDMRKQAMELAKGNFSRKVKKYGHDEIGQLATTFNHLTRELEDAQAMTEGERRKLASVIAYMTDGVIATNRNGAIILLNSPALELLNVSRETALEMPITSLLGLQENYTFEDLVEQQDSMLLEIERDDELTVLRVNFSVIQREHGKIDGLIAVIYDVTEQEKMDQERREFVANVSHELRTPLTTMRSYLEALAEGAWENKDIAPRFLMVTQNETERMIRLVNDLLQLSKFDSKDYQFNREWIQIVRFMSLIIDRFEMTKEQHVEFIRNLPDRDLYVEIDQDKITQVLDNIISNALKYSPEGGHVTFSIDVNEEEELLYISVKDEGIGIPKKDVEKVFDRFYRVDKARTRKLGGTGLGLAIAKEMVQAHGGDIWADSIEGKGTTITFTLPYKEEQEDDWDEA |
Consensus
[pKd Mean = 6.24] | - | 1036
(s=184) | 20
(s=3) | MNKVGFFRSIQFKITLIYVLLIIIAMQIIGVYFVNQVEKSLISSYEQSLNQRIDNLSYYIEQEYKSDNDSTVIKDDVSRILNDFTKSDEVREISFVDKSYEVVGSSKPYGEEVAGKQTTDLIFKRIFSTKQSYLRKYYDPKSKIRVLISAKPVMTENQEVVGAIYVVASMEDVFNQMKTINTILASGTGLALVLTALLGIFLARTITHPLSDMRKQAMELAKGNFSRKVKKYGHDEIGQLATTFNHLTRELEDAQAMTEGERRKLASVIAYMTDGVIATNRNGAIILLNSPALELLNVSRETALEMPITSLLGLQENYTFEDLVEQQDSMLLEIERDDELTVLRVNFSVIQREHGKIDGLIAVIYDVTEQEKMDQERREFVANVSHELRTPLTTMRSYLEALAEGAWENKDIAPRFLMVTQNETERMIRLVNDLLQLSKFDSKDYQFNREWIQIVRFMSLIIDRFEMTKEQHVEFIRNLPDRDLYVEIDQDKITQVLDNIISNALKYSPEGGHVTFSIDVNEEEELLYISVKDEGIGIPKKDVEKVFDRFYRVDKARTRKLGGTGLGLAIAKEMVQAHGGDIWADSIEGKGTTITFTLPYKEEQEDDWDEA |