Study : PA1962 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: DTC_A_3(2Z9C) / Model_5(2Z9C/A) = [3.3] Download899.0534.09MKLLHIDSSILGDASASRQLSAELVQAWRQNEDGLDVTYRDLAADAVAHFSALTLAAGSTPAELRDAALKHEVAVGEEVLEEFLAADVVVIGAPMYNFTISSQLKAWIDRIAVAGKTFRYTENGPVGLAGDKKVVIVSTAGGVHAGQPTGAAHEGYLRTVLGFFGITDIEVVRAEGLAYGEEPRTQAIAAARRQIAGQFAAA
Complex: AQN_A_3(4C0X) / Model_1(4C0X/A) = [3.8] Download981.2934.27MKLLHIDSSILGDASASRQLSAELVQAWRQNEDGLDVTYRDLAADAVAHFSALTLAAGSTPAELRDAALKHEVAVGEEVLEEFLAADVVVIGAPMYNFTISSQLKAWIDRIAVAGKTFRYTENGPVGLAGDKKVVIVSTAGGVHAGQPTGAAHEGYLRTVLGFFGITDIEVVRAEGLAYGEEPRTQAIAAARRQIAGQFAAA
Complex: FMN_A_3(4ESE) / Model_8(4ESE/A) = [6.9] Download1365.7634.20MKLLHIDSSILGDASASRQLSAELVQAWRQNEDGLDVTYRDLAADAVAHFSALTLAAGSTPAELRDAALKHEVAVGEEVLEEFLAADVVVIGAPMYNFTISSQLKAWIDRIAVAGKTFRYTENGPVGLAGDKKVVIVSTAGGVHAGQPTGAAHEGYLRTVLGFFGITDIEVVRAEGLAYGEEPRTQAIAAARRQIAGQFAAA
Complex: FMN_C_3(1T5B) / Model_112(1T5B/A) = [7.6] Download1192.8626.05MKLLHIDSSILGDASASRQLSAELVQAWRQNEDGLDVTYRDLAADAVAHFSALTLAAGSTPAELRDAALKHEVAVGEEVLEEFLAADVVVIGAPMYNFTISSQLKAWIDRIAVAGKTFRYTENGPVGLAGDKKVVIVSTAGGVHAGQPTGAAHEGYLRTVLGFFGITDIEVVRAEGLAYGEEPRTQAIAAARRQIAGQFAAA
Complex: FMN_A_2(2Z9C) / Model_5(2Z9C/A) = [7.8] Download1126.2926.80MKLLHIDSSILGDASASRQLSAELVQAWRQNEDGLDVTYRDLAADAVAHFSALTLAAGSTPAELRDAALKHEVAVGEEVLEEFLAADVVVIGAPMYNFTISSQLKAWIDRIAVAGKTFRYTENGPVGLAGDKKVVIVSTAGGVHAGQPTGAAHEGYLRTVLGFFGITDIEVVRAEGLAYGEEPRTQAIAAARRQIAGQFAAA
Consensus
[pKd Mean = 5.88]
-1113
(s=163)
31
(s=3)
MKLLHIDSSILGDASASRQLSAELVQAWRQNEDGLDVTYRDLAADAVAHFSALTLAAGSTPAELRDAALKHEVAVGEEVLEEFLAADVVVIGAPMYNFTISSQLKAWIDRIAVAGKTFRYTENGPVGLAGDKKVVIVSTAGGVHAGQPTGAAHEGYLRTVLGFFGITDIEVVRAEGLAYGEEPRTQAIAAARRQIAGQFAAA