Study : Rv1605 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: POP_A_9(1OX4) / Model_14(1OX4/A) = [3.1] Download794.8721.75MYADRDLPGAGGLAVRVIPCLDVDDGRVVKGVNFENLRDAGDPVELAAVYDAEGADELTFLDVTASSSGRATMLEVVRRTAEQVFIPLTVGGGVRTVADVDSLLRAGADKVAVNTAAIACPDLLADMARQFGSQCIVLSVDARTVPVGSAPTPSGWEVTTHGGRRGTGMDAVQWAARGADLGVGEILLNSMDADGTKAGFDLALLRAVRAAVTVPVIASGGAGAVEHFAPAVAAGADAVLAASVFHFRELTIGQVKAALAAEGITVR
Complex: POP_B_10(1OX4) / Model_33(1OX4/B) = [3.2] Download415.6934.29MYADRDLPGAGGLAVRVIPCLDVDDGRVVKGVNFENLRDAGDPVELAAVYDAEGADELTFLDVTASSSGRATMLEVVRRTAEQVFIPLTVGGGVRTVADVDSLLRAGADKVAVNTAAIACPDLLADMARQFGSQCIVLSVDARTVPVGSAPTPSGWEVTTHGGRRGTGMDAVQWAARGADLGVGEILLNSMDADGTKAGFDLALLRAVRAAVTVPVIASGGAGAVEHFAPAVAAGADAVLAASVFHFRELTIGQVKAALAAEGITVR
Complex: GOL_B_10(1H5Y) / Model_22(1H5Y/B) = [3.2] Download485.9116.79MYADRDLPGAGGLAVRVIPCLDVDDGRVVKGVNFENLRDAGDPVELAAVYDAEGADELTFLDVTASSSGRATMLEVVRRTAEQVFIPLTVGGGVRTVADVDSLLRAGADKVAVNTAAIACPDLLADMARQFGSQCIVLSVDARTVPVGSAPTPSGWEVTTHGGRRGTGMDAVQWAARGADLGVGEILLNSMDADGTKAGFDLALLRAVRAAVTVPVIASGGAGAVEHFAPAVAAGADAVLAASVFHFRELTIGQVKAALAAEGITVR
Complex: GOL_A_5(1H5Y) / Model_3(1H5Y/A) = [3.4] Download540.8918.17MYADRDLPGAGGLAVRVIPCLDVDDGRVVKGVNFENLRDAGDPVELAAVYDAEGADELTFLDVTASSSGRATMLEVVRRTAEQVFIPLTVGGGVRTVADVDSLLRAGADKVAVNTAAIACPDLLADMARQFGSQCIVLSVDARTVPVGSAPTPSGWEVTTHGGRRGTGMDAVQWAARGADLGVGEILLNSMDADGTKAGFDLALLRAVRAAVTVPVIASGGAGAVEHFAPAVAAGADAVLAASVFHFRELTIGQVKAALAAEGITVR
Complex: GOL_B_9(1H5Y) / Model_22(1H5Y/B) = [3.7] Download485.5721.05MYADRDLPGAGGLAVRVIPCLDVDDGRVVKGVNFENLRDAGDPVELAAVYDAEGADELTFLDVTASSSGRATMLEVVRRTAEQVFIPLTVGGGVRTVADVDSLLRAGADKVAVNTAAIACPDLLADMARQFGSQCIVLSVDARTVPVGSAPTPSGWEVTTHGGRRGTGMDAVQWAARGADLGVGEILLNSMDADGTKAGFDLALLRAVRAAVTVPVIASGGAGAVEHFAPAVAAGADAVLAASVFHFRELTIGQVKAALAAEGITVR
Consensus
[pKd Mean = 3.32]
-544
(s=131)
22
(s=6)
MYADRDLPGAGGLAVRVIPCLDVDDGRVVKGVNFENLRDAGDPVELAAVYDAEGADELTFLDVTASSSGRATMLEVVRRTAEQVFIPLTVGGGVRTVADVDSLLRAGADKVAVNTAAIACPDLLADMARQFGSQCIVLSVDARTVPVGSAPTPSGWEVTTHGGRRGTGMDAVQWAARGADLGVGEILLNSMDADGTKAGFDLALLRAVRAAVTVPVIASGGAGAVEHFAPAVAAGADAVLAASVFHFRELTIGQVKAALAAEGITVR