Study : T0758 (models@predictioncenter.org)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [Kd < -3] : 5 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: FAD_A_5(3MDD) / Model_2(1JQI/B) = [-8.6] Download--MYDGLSRDEQRLLNHVREYGEKYFTPASISKWRKDQGLPDEVVKAFVDLDFNGFGVIHRRNHRTYDLFAQVLVIEELSRISGACLPFQNDLLQLQILEAFASSAQTSPFRTEYQDTGRLSYALAISEPEAGSDTRSMRTHVTREGDTLVMNGTKMFVNNGEYAPALLVSAYDKTGDDGEPEFSFWMVPRSAAGIYAYPEQKIGQSMLPFATVRFDNVEVKESWRLKGSSKGFSQLYSLLEYGRVFTCAAALGEAQAAMEDAVAWARGREAFGQRIADLQQVQMKLTEMEVKLTNMRNLVYGAAREYDRGEHKRLSVALMKYYVPKAATEVASDAMQILGGRGYIQENRVSSIWQDCRGYQFADGTDEVMVVIAAPLILEQYKASKNNR
Complex: FAD_A_5(2PG0) / Model_2(1JQI/B) = [-8.5] Download--MYDGLSRDEQRLLNHVREYGEKYFTPASISKWRKDQGLPDEVVKAFVDLDFNGFGVIHRRNHRTYDLFAQVLVIEELSRISGACLPFQNDLLQLQILEAFASSAQTSPFRTEYQDTGRLSYALAISEPEAGSDTRSMRTHVTREGDTLVMNGTKMFVNNGEYAPALLVSAYDKTGDDGEPEFSFWMVPRSAAGIYAYPEQKIGQSMLPFATVRFDNVEVKESWRLKGSSKGFSQLYSLLEYGRVFTCAAALGEAQAAMEDAVAWARGREAFGQRIADLQQVQMKLTEMEVKLTNMRNLVYGAAREYDRGEHKRLSVALMKYYVPKAATEVASDAMQILGGRGYIQENRVSSIWQDCRGYQFADGTDEVMVVIAAPLILEQYKASKNNR
Complex: FAD_D_4(1UKW) / Model_46(1UKW/A) = [-8.4] Download--MYDGLSRDEQRLLNHVREYGEKYFTPASISKWRKDQGLPDEVVKAFVDLDFNGFGVIHRRNHRTYDLFAQVLVIEELSRISGACLPFQNDLLQLQILEAFASSAQTSPFRTEYQDTGRLSYALAISEPEAGSDTRSMRTHVTREGDTLVMNGTKMFVNNGEYAPALLVSAYDKTGDDGEPEFSFWMVPRSAAGIYAYPEQKIGQSMLPFATVRFDNVEVKESWRLKGSSKGFSQLYSLLEYGRVFTCAAALGEAQAAMEDAVAWARGREAFGQRIADLQQVQMKLTEMEVKLTNMRNLVYGAAREYDRGEHKRLSVALMKYYVPKAATEVASDAMQILGGRGYIQENRVSSIWQDCRGYQFADGTDEVMVVIAAPLILEQYKASKNNR
Complex: FAD_I_9(1JQI) / Model_2(1JQI/B) = [-8.4] Download--MYDGLSRDEQRLLNHVREYGEKYFTPASISKWRKDQGLPDEVVKAFVDLDFNGFGVIHRRNHRTYDLFAQVLVIEELSRISGACLPFQNDLLQLQILEAFASSAQTSPFRTEYQDTGRLSYALAISEPEAGSDTRSMRTHVTREGDTLVMNGTKMFVNNGEYAPALLVSAYDKTGDDGEPEFSFWMVPRSAAGIYAYPEQKIGQSMLPFATVRFDNVEVKESWRLKGSSKGFSQLYSLLEYGRVFTCAAALGEAQAAMEDAVAWARGREAFGQRIADLQQVQMKLTEMEVKLTNMRNLVYGAAREYDRGEHKRLSVALMKYYVPKAATEVASDAMQILGGRGYIQENRVSSIWQDCRGYQFADGTDEVMVVIAAPLILEQYKASKNNR
Complex: FAD_D_4(1UKW) / Model_2(1JQI/B) = [-8.4] Download--MYDGLSRDEQRLLNHVREYGEKYFTPASISKWRKDQGLPDEVVKAFVDLDFNGFGVIHRRNHRTYDLFAQVLVIEELSRISGACLPFQNDLLQLQILEAFASSAQTSPFRTEYQDTGRLSYALAISEPEAGSDTRSMRTHVTREGDTLVMNGTKMFVNNGEYAPALLVSAYDKTGDDGEPEFSFWMVPRSAAGIYAYPEQKIGQSMLPFATVRFDNVEVKESWRLKGSSKGFSQLYSLLEYGRVFTCAAALGEAQAAMEDAVAWARGREAFGQRIADLQQVQMKLTEMEVKLTNMRNLVYGAAREYDRGEHKRLSVALMKYYVPKAATEVASDAMQILGGRGYIQENRVSSIWQDCRGYQFADGTDEVMVVIAAPLILEQYKASKNNR
Consensus
[Kd Mean = -8.46]
-0
(s=0)
0
(s=0)
MYDGLSRDEQRLLNHVREYGEKYFTPASISKWRKDQGLPDEVVKAFVDLDFNGFGVIHRRNHRTYDLFAQVLVIEELSRISGACLPFQNDLLQLQILEAFASSAQTSPFRTEYQDTGRLSYALAISEPEAGSDTRSMRTHVTREGDTLVMNGTKMFVNNGEYAPALLVSAYDKTGDDGEPEFSFWMVPRSAAGIYAYPEQKIGQSMLPFATVRFDNVEVKESWRLKGSSKGFSQLYSLLEYGRVFTCAAALGEAQAAMEDAVAWARGREAFGQRIADLQQVQMKLTEMEVKLTNMRNLVYGAAREYDRGEHKRLSVALMKYYVPKAATEVASDAMQILGGRGYIQENRVSSIWQDCRGYQFADGTDEVMVVIAAPLILEQYKASKNNR