Study : Rv0927c (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: EDO_C_9(4BMN) / Model_96(4BMN/C) = [3.2] Download515.047.13MILDMFRLDDKVAVITGGGRGLGAAIALAFAQAGADVLIASRTSSELDAVAEQIRAAGRRAHTVAADLAHPEVTAQLAGQAVGAFGKLDIVVNNVGGTMPNTLLSTSTKDLADAFAFNVGTAHALTVAAVPLMLEHSGGGSVINISSTMGRLAARGFAAYGTAKAALAHYTRLAALDLCPRVRVNAIAPGSILTSALEVVAANDELRAPMEQATPLRRLGDPVDIAAAAVYLASPAGSFLTGKTLEVDGGLTFPNLDLPIPDL
Complex: EDO_C_26(3RIH) / Model_42(3RIH/C) = [3.5] Download356.8232.00MILDMFRLDDKVAVITGGGRGLGAAIALAFAQAGADVLIASRTSSELDAVAEQIRAAGRRAHTVAADLAHPEVTAQLAGQAVGAFGKLDIVVNNVGGTMPNTLLSTSTKDLADAFAFNVGTAHALTVAAVPLMLEHSGGGSVINISSTMGRLAARGFAAYGTAKAALAHYTRLAALDLCPRVRVNAIAPGSILTSALEVVAANDELRAPMEQATPLRRLGDPVDIAAAAVYLASPAGSFLTGKTLEVDGGLTFPNLDLPIPDL
Complex: NAD_A_5(1AHH) / Model_2(1AHH/A) = [8.2] Download1664.5717.17MILDMFRLDDKVAVITGGGRGLGAAIALAFAQAGADVLIASRTSSELDAVAEQIRAAGRRAHTVAADLAHPEVTAQLAGQAVGAFGKLDIVVNNVGGTMPNTLLSTSTKDLADAFAFNVGTAHALTVAAVPLMLEHSGGGSVINISSTMGRLAARGFAAYGTAKAALAHYTRLAALDLCPRVRVNAIAPGSILTSALEVVAANDELRAPMEQATPLRRLGDPVDIAAAAVYLASPAGSFLTGKTLEVDGGLTFPNLDLPIPDL
Complex: NAD_B_7(1AHH) / Model_23(1AHH/B) = [8.3] Download1424.4719.13MILDMFRLDDKVAVITGGGRGLGAAIALAFAQAGADVLIASRTSSELDAVAEQIRAAGRRAHTVAADLAHPEVTAQLAGQAVGAFGKLDIVVNNVGGTMPNTLLSTSTKDLADAFAFNVGTAHALTVAAVPLMLEHSGGGSVINISSTMGRLAARGFAAYGTAKAALAHYTRLAALDLCPRVRVNAIAPGSILTSALEVVAANDELRAPMEQATPLRRLGDPVDIAAAAVYLASPAGSFLTGKTLEVDGGLTFPNLDLPIPDL
Consensus
[pKd Mean = 5.80]
-990
(s=563)
18
(s=8)
MILDMFRLDDKVAVITGGGRGLGAAIALAFAQAGADVLIASRTSSELDAVAEQIRAAGRRAHTVAADLAHPEVTAQLAGQAVGAFGKLDIVVNNVGGTMPNTLLSTSTKDLADAFAFNVGTAHALTVAAVPLMLEHSGGGSVINISSTMGRLAARGFAAYGTAKAALAHYTRLAALDLCPRVRVNAIAPGSILTSALEVVAANDELRAPMEQATPLRRLGDPVDIAAAAVYLASPAGSFLTGKTLEVDGGLTFPNLDLPIPDL