Study : T0721 (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: 150

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

based on 2Q0L Atome Sc:91.50Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
FAD_A_32Q0LC2_S1-10.6-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53F8DC2_S1-9.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_32Q0KC2_S1-8.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31CL0C2_S1-8.6-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31TDEC2_S1-8.4-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43ISHC2_S1-8.3-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33FBSC2_S1-7.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_B_22CVJC2_S1-7.4-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_32YWLC2_S1-7.1-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_32Q7VC2_S1-7.1-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53ITJC2_S1-6.9-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_E_52A87C2_S1-6.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33D8XC2_S1-6.6-RawFLAVIN-ADENINE DINUCLEOTIDE
NAP_A_63F8RC2_S1-6.2-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAD_A_53F8PC2_S1-6.2-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
FAD_A_23LZWC2_S1-6.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_42ZBWC2_S1-5.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33AB1C2_S1-4.9-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_G_71FL2C2_S1-3.3-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31D7YC2_S1-3.2-RawFLAVIN-ADENINE DINUCLEOTIDE

based on 3FBS Atome Sc:96.26Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
FAD_A_33FBSC2_S1-10.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31CL0C2_S1-9.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_G_71FL2C2_S1-8.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33AB1C2_S1-8.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_32Q0LC2_S1-8.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_I_91HYUC2_S1-8.3-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31TDEC2_S1-8.2-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43ISHC2_S1-8.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_23LZWC2_S1-7.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53F8DC2_S1-7.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_32Q0KC2_S1-7.5-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53O0HC2_S1-5.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31MO9C2_S1-4.5-RawFLAVIN-ADENINE DINUCLEOTIDE
NAD_A_53F8PC2_S1-4.3-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
FAD_A_32Q7VC2_S1-3.5-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_51XDIC2_S1-3.0-RawFLAVIN-ADENINE DINUCLEOTIDE

based on 3QFA Atome Sc:85.91Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
FAD_A_33CTYC2_S1-8.0-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31D7YC2_S1-7.5-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_B_21M6IC2_S1-7.5-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_32Q0LC2_S1-7.3-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53QFAC2_S1-6.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_31GESC2_S1-6.2-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_I_91ZK7C2_S1-5.9-RawFLAVIN-ADENINE DINUCLEOTIDE
NAD_A_53F8PC2_S1-5.9-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
FAD_A_51XDIC2_S1-5.3-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53O0HC2_S1-5.1-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_32Q0KC2_S1-4.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31MO9C2_S1-4.7-RawFLAVIN-ADENINE DINUCLEOTIDE
NAP_A_63F8RC2_S1-3.9-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
FAD_A_32YWLC2_S1-3.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33R9UC2_S1-3.4-RawFLAVIN-ADENINE DINUCLEOTIDE

based on 3CTY Atome Sc:88.83Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
FAD_I_91ZK7C2_S1-6.5-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_B_21M6IC2_S1-6.3-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33AB1C2_S1-5.7-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31D7YC2_S1-5.6-RawFLAVIN-ADENINE DINUCLEOTIDE
NAD_A_53F8PC2_S1-5.0-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
FAD_A_53QFAC2_S1-4.9-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_42ZBWC2_S1-4.9-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_23LZWC2_S1-4.8-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_51XDIC2_S1-4.6-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31MO9C2_S1-4.6-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_31GESC2_S1-4.3-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_B_22CVJC2_S1-4.2-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_33CTYC2_S1-3.9-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_53O0HC2_S1-3.8-RawFLAVIN-ADENINE DINUCLEOTIDE
NAP_A_63F8RC2_S1-3.7-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
FAD_A_32YWLC2_S1-3.6-RawFLAVIN-ADENINE DINUCLEOTIDE

based on 3F8D Atome Sc:90.43Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
FAD_A_53F8DC2_S1-4.2-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31TDEC2_S1-3.6-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_A_43ISHC2_S1-3.2-RawFLAVIN-ADENINE DINUCLEOTIDE
FAD_C_31CL0C2_S1-3.1-RawFLAVIN-ADENINE DINUCLEOTIDE