Study : PA4944 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: UTP_A_7(4J6X) / Model_6(4J6X/A) = [3.1] Download925.755.36MSKGHSLQDPYLNTLRKERVPVSIYLVNGIKLQGQIESFDQFVILLKNTVSQMVYKHAISTVVPSRPVRLPSGDQPAEPGNA
Complex: UTP_F_12(4J6X) / Model_26(4J6X/F) = [3.2] Download770.824.22MSKGHSLQDPYLNTLRKERVPVSIYLVNGIKLQGQIESFDQFVILLKNTVSQMVYKHAISTVVPSRPVRLPSGDQPAEPGNA
Complex: C_E_22(4J6W) / Model_32(4J6W/E) = [3.4] Download--MSKGHSLQDPYLNTLRKERVPVSIYLVNGIKLQGQIESFDQFVILLKNTVSQMVYKHAISTVVPSRPVRLPSGDQPAEPGNA
Complex: U_A_4(4MML) / Model_9(4MML/A) = [3.5] Download--MSKGHSLQDPYLNTLRKERVPVSIYLVNGIKLQGQIESFDQFVILLKNTVSQMVYKHAISTVVPSRPVRLPSGDQPAEPGNA
Complex: CTP_B_11(4J6W) / Model_35(4J6W/B) = [3.5] Download725.4233.88MSKGHSLQDPYLNTLRKERVPVSIYLVNGIKLQGQIESFDQFVILLKNTVSQMVYKHAISTVVPSRPVRLPSGDQPAEPGNA
Consensus
[pKd Mean = 3.34]
-807
(s=85)
14
(s=13)
MSKGHSLQDPYLNTLRKERVPVSIYLVNGIKLQGQIESFDQFVILLKNTVSQMVYKHAISTVVPSRPVRLPSGDQPAEPGNA