Study : T0703 (models@predictioncenter.org)

Best Complexes after Comparative Docking: Download: Best Ligands after Comparative Docking Ligand Type Selected for this Study : Small Molecules; Peptides; Sugar; Nucleic Acid; Ions. Number of Ligands Found in Study: 143 (Click on Model to display complexes with selected ligand(s))

based on 1O7E Atome Sc:89.54 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SMX_A_3 3NY4 C2_S1 -3.5 - Raw (6R,7R)-7-{[(2S)-2-HYDROXY-2-PHENYLACETYL]AMINO}-3-{[(1-METHYL-1H-TETRAZOL-5-YL)SULFANYL]METHYL}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID CEF_A_5 1IYO C2_S1 -3.1 - Raw CEFOTAXIME GROUP

based on 2J9O Atome Sc:91.46 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SMX_A_3 3NY4 C2_S1 -3.5 - Raw (6R,7R)-7-{[(2S)-2-HYDROXY-2-PHENYLACETYL]AMINO}-3-{[(1-METHYL-1H-TETRAZOL-5-YL)SULFANYL]METHYL}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID CB4_A_9 1M40 C2_S1 -3.1 - Raw PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE

based on 2QPN Atome Sc:94.47 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SMX_A_3 3NY4 C2_S1 -4.1 - Raw (6R,7R)-7-{[(2S)-2-HYDROXY-2-PHENYLACETYL]AMINO}-3-{[(1-METHYL-1H-TETRAZOL-5-YL)SULFANYL]METHYL}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID