Fluorine in PDB, part 1 (files: 1-40),
PDB 16pk-1bw7
Experimental structures of coordination spheres of Fluorine (F) in bioorganic
molecules from X-Ray and NMR experiments. Coordination spheres were calculated with 5.0 Angstroms radius
around Fluorine atoms. PDB files: 1-40 (PDB 16pk-1bw7).
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16pk (F: 4) - Phosphoglycerate Kinase From Trypanosoma Brucei Bisubstrate Analog
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1a08 (F: 4) - C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr- Glu-(N,N-Dipentyl Amine)
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1a29 (F: 6) - Calmodulin Complexed with Trifluoperazine (1:2 Complex)
Other atoms:
Ca (4);
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1a2n (F: 1) - Structure of the C115A Mutant of Mura Complexed with the Fluorinated Analog of the Reaction Tetrahedral Intermediate
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1a3t (F: 1) - Staphylococcal Nuclease, V23C Variant, Complex with 2- Fluoroethane Thiol and 3',5'-Thymidine Diphosphate
Other atoms:
Ca (1);
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1a50 (F: 1) - Crystal Structure of Wild-Type Tryptophan Synthase Complexed with 5-Fluoroindole Propanol Phosphate
Other atoms:
Na (1);
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1a5s (F: 1) - Crystal Structure of Wild-Type Tryptophan Synthase Complexed with 5-Fluoroindole Propanol Phosphate and L-Ser Bound As Amino Acrylate to the Beta Site
Other atoms:
Na (1);
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1a6e (F: 6) - Thermosome-Mg-Adp-ALF3 Complex
Other atoms:
Mg (2);
Al (2);
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1a71 (F: 6) - Ternary Complex of An Active Site Double Mutant of Horse Liver Alcohol Dehydrogenase, PHE93=>Trp, VAL203=>Ala with Nad and Trifluoroethanol
Other atoms:
Zn (4);
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1a9u (F: 1) - The Complex Structure of the Map Kinase P38/SB203580
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1ad8 (F: 5) - Complex of Thrombin with and Inhibitor Containing A Novel P1 Moiety
Other atoms:
Na (1);
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1ae4 (F: 3) - Aldehyde Reductase Complexed with Cofactor and Inhibitor, Alpha Carbon Atoms Only
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1afq (F: 2) - Crystal Structure of Bovine Gamma-Chymotrypsin Complexed with A Synthetic Inhibitor
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1agr (F: 8) - Complex of ALF4-Activated Gi-Alpha-1 with RGS4
Other atoms:
Mg (2);
Al (2);
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1ah0 (F: 1) - Pig Aldose Reductase Complexed with Sorbinil
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1ah3 (F: 3) - Aldose Reductase Complexed with Tolrestat Inhibitor
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1aid (F: 2) - Structure of A Non-Peptide Inhibitor Complexed with Hiv-1 Protease: Developing A Cycle of Structure-Based Drug Design
Other atoms:
Cl (4);
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1amn (F: 3) - Transition State Analog: Acetylcholinesterase Complexed with M-(N,N,N-Trimethylammonio)Trifluoroacetophenone
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1apv (F: 2) - Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone- Containing Peptides
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1apw (F: 2) - Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone- Containing Peptides
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1axe (F: 6) - Crystal Structure of the Active-Site Mutant PHE93->Trp of Horse Liver Alcohol Dehydrogenase in Complex with Nad and Inhibitor Trifluoroethanol
Other atoms:
Zn (4);
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1axg (F: 12) - Crystal Structure of the VAL203->Ala Mutant of Liver Alcohol Dehydrogenase Complexed with Cofactor Nad and Inhibitor Trifluoroethanol Solved to 2.5 Angstrom Resolution
Other atoms:
Zn (8);
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1b02 (F: 1) - Crystal Structure of Thymidylate Synthase A From Bacillus Subtilis
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1b0e (F: 5) - Crystal Structure of Porcine Pancreatic Elastase with Mdl 101,146
Other atoms:
Ca (1);
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1b0f (F: 5) - Crystal Structure of Human Neutrophil Elastase with Mdl 101, 146
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1b99 (F: 1) - 3'-Fluoro-Uridine Diphosphate Binding to Nucleoside Diphosphate Kinase
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1bcd (F: 3) - X-Ray Crystallographic Structure of A Complex Between Human Carbonic Anhydrase II and A New Topical Inhibitor, Trifluoromethane Sulphonamide
Other atoms:
Zn (1);
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1bjg (F: 1) - D221(169)N Mutant Does Not Promote Opening of the Cofactor Imidazolidine Ring
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1bl6 (F: 1) - The Complex Structure of the Map Kinase P38/SB216995
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1bl7 (F: 1) - The Complex Structure of the Map Kinase P38/SB220025
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1bm7 (F: 12) - Human Transthyretin (Prealbumin) Complex with Flufenamic Acid (2-[[3-(Trifluoromethyl)Phenyl]Amino] Benzoic Acid)
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1bma (F: 3) - Benzyl Methyl Aminimide Inhibitor Complexed to Porcine Pancreatic Elastase
Other atoms:
Ca (1);
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1bmk (F: 1) - The Complex Structure of the Map Kinase P38/SB218655
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1br1 (F: 16) - Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.ALF4 Bound at the Active Site
Other atoms:
Mg (4);
Al (4);
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1br2 (F: 24) - Smooth Muscle Myosin Motor Domain Complexed with Mgadp.ALF4
Other atoms:
Mg (6);
Al (6);
-
1br4 (F: 12) - Smooth Muscle Myosin Motor Domain-Essential Light Chain Complex with Mgadp.BEF3 Bound at the Active Site
Other atoms:
Mg (4);
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1bs1 (F: 3) - Dethiobiotin Synthetase Complexed with Dethiobiotin, Adp , Inorganic Phosphate and Magnesium
Other atoms:
Mg (2);
Al (1);
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1bs3 (F: 2) - P.Shermanii Sod(Fe+3) Fluoride
Other atoms:
Fe (2);
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1bvv (F: 1) - Sugar Ring Distortion in the Glycosyl-Enzyme Intermediate of A Family G/11 Xylanase
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1bw7 (F: 2) - Solution Structure of A Dna Duplex Containing A Replicable Difluorotoluene-Adenine Pair
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