Study : T0737 (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: 100

(Click on Model to display complexes with selected ligand(s))

based on 3GWN Atome Sc:92.64Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
FAD_A_33GWNC4_S1-11.4-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_O_152HJ3C4_S1-10.3-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53R7CC4_S1-10.1-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_23O55C4_S1-10.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33GWLC4_S1-9.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43MBGC4_S1-9.6-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_51OQCC4_S1-9.2-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_D_41JR8C4_S1-9.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_F_61JRAC4_S1-8.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33P0KC4_S1-7.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43LLKC4_S1-5.7-RawFLAVIN-ADENINE DINUCLEOTIDE

based on 3GWL Atome Sc:73.63Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
FAD_O_152HJ3C4_S1-9.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_D_41JR8C4_S1-9.5-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33GWLC4_S1-9.5-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_F_61JRAC4_S1-9.4-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33GWNC4_S1-9.1-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33P0KC4_S1-8.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_51OQCC4_S1-7.3-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43MBGC4_S1-7.1-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53R7CC4_S1-7.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_23O55C4_S1-6.9-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43LLKC4_S1-6.5-RawFLAVIN-ADENINE DINUCLEOTIDE

based on 2HJ3 Atome Sc:71.87Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
FAD_O_152HJ3C4_S1-9.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33GWNC4_S1-8.6-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_D_41JR8C4_S1-8.4-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_F_61JRAC4_S1-7.9-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33GWLC4_S1-7.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43MBGC4_S1-6.2-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_23O55C4_S1-5.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53R7CC4_S1-5.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_51OQCC4_S1-4.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43LLKC4_S1-4.0-RawFLAVIN-ADENINE DINUCLEOTIDE

based on 1JR8 Atome Sc:72.72Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
FAD_D_41JR8C4_S1-7.2-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_F_61JRAC4_S1-7.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33GWNC4_S1-6.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_O_152HJ3C4_S1-6.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43LLKC4_S1-6.6-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43MBGC4_S1-6.2-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33GWLC4_S1-5.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_23O55C4_S1-5.6-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_51OQCC4_S1-5.6-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53R7CC4_S1-5.2-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33P0KC4_S1-4.8-RawFLAVIN-ADENINE DINUCLEOTIDE

based on 1OQC Atome Sc:73.44Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
FAD_D_41JR8C4_S1-6.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43LLKC4_S1-6.6-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_O_152HJ3C4_S1-6.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33GWLC4_S1-6.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_F_61JRAC4_S1-5.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33GWNC4_S1-5.5-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_51OQCC4_S1-5.4-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53R7CC4_S1-5.1-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43MBGC4_S1-4.5-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33P0KC4_S1-4.3-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_23O55C4_S1-3.9-RawFLAVIN-ADENINE DINUCLEOTIDE