Potassium in PDB, part 80 (files: 3161-3200),
PDB 7fs1-7g3k
Experimental structures of coordination spheres of Potassium (K) in bioorganic
molecules from X-Ray and NMR experiments. Coordination spheres were calculated with 5.0 Angstroms radius
around Potassium atoms. PDB files: 3161-3200 (PDB 7fs1-7g3k).
-
7fs1 (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 11
Other atoms:
Mg (8);
-
7fs2 (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 13
Other atoms:
Mg (8);
-
7fs3 (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 15
Other atoms:
Mg (8);
-
7fs4 (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 16
Other atoms:
Mg (8);
-
7fs5 (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 17
Other atoms:
Mg (8);
-
7fs6 (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 18
Other atoms:
Mg (8);
-
7fs7 (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 20
Other atoms:
Mg (8);
-
7fs8 (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 21
Other atoms:
Mg (8);
-
7fs9 (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 22
Other atoms:
Mg (8);
-
7fsa (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 24
Other atoms:
Mg (8);
-
7fsb (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 41
Other atoms:
Mg (8);
-
7fsc (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 42
Other atoms:
Mg (8);
-
7fsd (K: 8) - Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 44
Other atoms:
Mg (8);
-
7ftj (K: 1) - Crystal Structure of Apo Human Cyclic Gmp-Amp Synthase
Other atoms:
Zn (1);
-
7fyw (K: 1) - Crystal Structure of Apo Mouse FABP5, Twinned in P21 with Beta=90DEG
-
7fza (K: 1) - Crystal Structure of Apo Human FABP4, Cubic Form
Other atoms:
Cl (1);
-
7g2f (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazin-1-Yl]Sulfonylbenzenesulfonamide, I.E. Smiles Fc(C1CC(C(Ccc(=O)N2CCN(CC2)S(=O)(=O)C2CCC(S(=O)(=O)N)CC2)CC1) CN1N=Nc(=N1)C)(F)F with IC50=0.0525995 Microm
Other atoms:
F (3);
Ca (1);
Zn (1);
Cl (1);
-
7g2g (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-Fluoro-4-[[4-[3- [2-[(5-Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazin-1-Yl]Methyl]Benzenesulfonamide, I.E. Smiles N1(Ccn(CC1)CC1C(Cc(S(=O)(=O)N)CC1)F)C(=O) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0203648 Microm
Other atoms:
F (4);
Na (1);
Ca (2);
Cl (1);
Zn (1);
-
7g2h (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-Fluoro-4-[1-[3- [2-[(5-Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperidin-4-Yl]Sulfonylbenzenesulfonamide, I.E. Smiles O=C(N1CC[C@@H](S(=O)(=O)C2C(F)Cc(S(=O)(=O)N)CC2)CC1) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.00379624 Microm
Other atoms:
Zn (1);
Ca (1);
Na (1);
F (4);
-
7g2o (K: 1) - Crystal Structure of Rat Autotaxin in Complex with [2-Cyclopropyl-6- (Oxan-4-Ylmethoxy)Pyridin-4-Yl]-[5-(3-Hydroxy-5,7-Dihydro-4H-[1, 2]Oxazolo[5,4-C]Pyridine-6-Carbonyl)-1,3,4,6-Tetrahydropyrrolo[3,4- C]Pyrrol-2-Yl]Methanone, I.E. Smiles N1(C(=O)N2CC3=C(C2)Cn(C3)C(=O) C2CC(OCC3CCOCC3)Nc(C3CC3)C2)CC2=C(CC1)C(=NO2)O with IC50=0.00526079 Microm
Other atoms:
Cl (1);
Zn (1);
Na (1);
Ca (1);
-
7g2p (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 1-[2-[2- Cyclopropyl-6-(Oxan-4-Ylmethoxy)Pyridine-4-Carbonyl]-1,3,4,6- Tetrahydropyrrolo[3,4-C]Pyrrole-5-Carbonyl]-4-Fluoropiperidine-4- Sulfonamide, I.E. Smiles F[C@@]1(S(=O)(=O)N)Ccn(CC1)C(=O) N1CC2=C(Cn(C(=O)C3CC(C4CC4)Nc(OCC4CCOCC4)C3)C2)C1 with IC50=0.00217681 Microm
Other atoms:
Na (1);
Ca (2);
Zn (1);
Cl (1);
F (1);
-
7g2q (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 1-[2-[2- Cyclopropyl-6-(Oxan-4-Ylmethoxy)Pyridine-4-Carbonyl]-1,3,4,6- Tetrahydropyrrolo[3,4-C]Pyrrole-5-Carbonyl]Piperidine-4-Sulfonamide, I.E. Smiles N1(C(=O)N2CC3=C(Cn(C3)C(=O)C3CC(Nc(C3)C3CC3)OCC3CCOCC3) C2)Cc[C@@H](CC1)S(=O)(=O)N with IC50=0.00248328 Microm
Other atoms:
Ca (2);
Na (1);
Zn (1);
Cl (1);
-
7g2r (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 7-[2-[2- Cyclopropyl-6-(Oxan-4-Ylmethoxy)Pyridine-4-Carbonyl]-1,3,4,6- Tetrahydropyrrolo[3,4-C]Pyrrole-5-Carbonyl]-2,5,6,8-Tetrahydro-[1,2, 4]Triazolo[4,3-A]Pyrazin-3-One, I.E. Smiles N1(C(=O)N2CC3=C(C2) Cn(C3)C(=O)C2CC(OCC3CCOCC3)Nc(C3CC3)C2)CC2=Nnc(=O)N2CC1 with IC50=0.00627428 Microm
Other atoms:
Cl (1);
Zn (1);
Na (1);
Ca (2);
-
7g2s (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 4-[2-Oxo-2-[4-[[4- (Trifluoromethyl)Phenyl]Methyl]-7,8-Dihydro-5H-Pyrido[4,3- D]Pyrimidin-6-Yl]Ethyl]Sulfanylbenzenesulfonamide, I.E. Smiles C1(C(F)(F)F)Ccc(CC2C3CN(C(=O)CSC4CCC(S(=O)(=O)N)CC4)CCC3NCN2)CC1 with IC50=3.44948 Microm
Other atoms:
Ca (2);
Na (1);
Zn (1);
F (3);
-
7g2t (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[3-[(2-Tert-Butyl-4-Chloro-5-Methylphenyl)Methoxy]-4,5,7,8- Tetrahydro-1H-Pyrazolo[3,4-D]Azepin-6-Yl]Methanone, I.E. Smiles C12C(Cc(CC1)C(=O)N1CCC3=C(CC1)Nn=C3OCC1C(Cc(C(C1)C)Cl)C(C)(C)C)N=NN2 with IC50=0.295297 Microm
Other atoms:
Cl (3);
Zn (1);
Na (1);
Ca (2);
-
7g2u (K: 1) - Crystal Structure of Rat Autotaxin in Complex with [2-[2-Cyclopropyl- 6-(Oxan-4-Ylmethoxy)Pyridine-4-Carbonyl]-1,3-Dihydroisoindol-5-Yl]- (3-Hydroxy-6,7-Dihydro-4H-[1,2]Oxazolo[4,5-C]Pyridin-5-Yl)Methanone, I.E. Smiles C1C(C1)C1CC(C(=O)N2CC3C(Ccc(C3)C(=O)N3CCC4=C(C3)C(=NO4) O)C2)Cc(OCC2CCOCC2)N1 with IC50=0.0102556 Microm
Other atoms:
Cl (1);
Zn (1);
Ca (2);
Na (1);
-
7g2v (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 4-[3-[(2-Tert- Butyl-4-Chloro-5-Methylphenyl)Methoxy]-4,5,7,8-Tetrahydro-1H- Pyrazolo[3,4-D]Azepine-6-Carbonyl]-2,3-Difluorobenzenesulfonamide, I.E. Smiles C1(C(C(C(CC1)C(=O)N1CCC2=C(CC1)Nn=C2OCC1C(Cc(C(C1)C)Cl) C(C)(C)C)F)F)S(=O)(=O)N with IC50=0.0130576 Microm
Other atoms:
F (2);
Zn (1);
Cl (2);
Na (1);
Ca (2);
-
7g2w (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 4-[3-[(2-Tert- Butyl-4-Chloro-5-Methylphenyl)Methoxy]-4,5,7,8-Tetrahydro-1H- Pyrazolo[3,4-D]Azepine-6-Carbonyl]Benzenesulfonamide, I.E. Smiles C1(Ccc(CC1)C(=O)N1CCC2=C(CC1)Nn=C2OCC1C(Cc(C(C1)C)Cl)C(C)(C)C)S(=O) (=O)N with IC50=0.0150328 Microm
Other atoms:
Cl (3);
Zn (1);
Na (1);
Ca (3);
-
7g2x (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 1-[2-[2- Cyclopropyl-6-(Oxan-4-Ylmethoxy)Pyridine-4-Carbonyl]-3,4,5,6- Tetrahydro-1H-Cyclopenta[C]Pyrrole-5-Carbonyl]Piperidine-4- Sulfonamide, I.E. Smiles C1C2=C(C[C@H]1C(=O)N1CC[C@@H](S(=O)(=O)N) CC1)Cn(C2)C(=O)C1CC(Nc(C1)C1CC1)OCC1CCOCC1 with IC50=0.0015731 Microm
Other atoms:
Cl (1);
Zn (1);
Ca (2);
Na (1);
-
7g2y (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 2-[(R)-2-[1-[3-[2- [(5-Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperidin-4-Yl]Ethylsulfinyl]-1,3-Thiazole-5- Sulfonamide, I.E. Smiles C1(=Nc=C(S(=O)(=O)N)S1)[S@](=O) Cc[C@H]1CCN(C(=O)CCC2CCC(C(F)(F)F)CC2CN2N=Nc(=N2)C)CC1 with IC50=0.00230987 Microm
Other atoms:
F (3);
Zn (1);
Cl (1);
Ca (2);
Na (1);
-
7g30 (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-Fluoro-4-[[1-[3- [2-[(5-Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperidin-4-Yl]Methylsulfanyl]Benzenesulfonamide, I.E. Smiles C1(C(F)Cc(S(=O)(=O)N)CC1)Sc[C@H]1CCN(CC1)C(=O) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0105744 Microm
Other atoms:
F (4);
Zn (1);
Cl (1);
Ca (1);
Na (1);
-
7g34 (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-[(4- Chlorophenyl)Methyl]-5-Methyl-5-(4-Methylphenyl)Imidazolidine-2,4- Dione, I.E. Smiles N1(C(=O)N[C@](C1=O)(C1CCC(CC1)C)C)CC1CCC(Cl)CC1 with IC50=0.956439 Microm
Other atoms:
Cl (3);
Zn (1);
Na (1);
Ca (1);
-
7g36 (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[5-Cyclopropyl-6-(Cyclopropylmethoxy) Pyridine-2-Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4- Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1) C(=O)C1CCC2C(C1)N=NN2)C(=O)C1NC(C(CC1)C1CC1)OCC1CC1 with IC50=0.0606197 Microm
Other atoms:
Zn (1);
Cl (1);
Ca (1);
Na (1);
-
7g37 (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[5-Chloro-4-(Cyclopropylmethoxy)Pyridine-2- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1CC(C(CN1)Cl)OCC1CC1 with IC50=0.190022 Microm
Other atoms:
Na (1);
Ca (1);
Zn (1);
Cl (2);
-
7g39 (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-[(4-Chloro-5- Methyl-2-Propan-2-Ylphenoxy)Methyl]-1H-Indazole, I.E. Smiles C(C1=NNC2C1CCCC2)OC1CC(C(CC1C(C)C)Cl)C with IC50=0.065046 Microm
Other atoms:
Cl (2);
Zn (1);
Ca (1);
Na (1);
-
7g3e (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 5-Tert-Butyl-2- Methyl-4-[[3-(2-Oxa-7-Azaspiro[4.4]Nonane-7-Carbonyl)-1H-Pyrazol-5- Yl]Methoxy]Benzonitrile, I.E. Smiles CC1CC(C(CC1C#N)C(C)(C)C) OCC1=Cc(=NN1)C(=O)N1CC[C@]2(CCOC2)C1 with IC50=0.00824801 Microm
Other atoms:
Ca (2);
Na (1);
Zn (1);
Cl (2);
-
7g3h (K: 1) - Crystal Structure of Rat Autotaxin in Complex with [2-[[(2R)-5-Chloro- 2,3-Dihydro-1H-Inden-2-Yl]Amino]Pyrimidin-5-Yl]-(6-Oxa-1- Azaspiro[3.3]Heptan-1-Yl)Methanone, I.E. Smiles CLC1CCC2C(C1) C[C@@H](C2)NC1NCC(CN1)C(=O)N1CCC21COC2 with IC50=0.0678127 Microm
Other atoms:
Cl (3);
Zn (1);
Na (1);
Ca (2);
-
7g3i (K: 1) - Crystal Structure of Rat Autotaxin in Complex with (6-Methylsulfonyl- 1,6-Diazaspiro[3.3]Heptan-1-Yl)-[2-[[3-Propan-2-Yl-5- (Trifluoromethoxy)Phenyl]Methylamino]Pyrimidin-5-Yl]Methanone, I.E. Smiles Cc(C)C1CC(Cc(C1)Oc(F)(F)F)CNC1NCC(CN1)C(=O)N1CCC21CN(C2)S(=O) (=O)C with IC50=0.018213 Microm
Other atoms:
Ca (2);
Na (1);
Cl (1);
Zn (1);
F (3);
-
7g3j (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 5-Tert-Butyl-2- Chloro-4-[[1-Methyl-5-(6-Oxa-1-Azaspiro[3.3]Heptane-1-Carbonyl) Imidazol-2-Yl]Methoxy]Benzonitrile, I.E. Smiles CLC1C(C#N)Cc(C(C)(C) C)C(C1)OCC1=Nc=C(C(=O)N2C3(CC2)COC3)N1C with IC50=0.124297 Microm
Other atoms:
Cl (1);
Zn (1);
Ca (2);
Na (1);
-
7g3k (K: 1) - Crystal Structure of Rat Autotaxin in Complex with 5-Tert-Butyl-2- Chloro-4-[(7-Methyl-8-Oxo-5,6-Dihydroimidazo[1,5-A]Pyrazin-3-Yl) Methoxy]Benzonitrile, I.E. Smiles C1C(C(Cc(C1C(C)(C)C) OCC1=Nc=C2N1CCN(C2=O)C)Cl)C#N with IC50=0.416172 Microm
Other atoms:
Zn (1);
Cl (1);
Na (1);
Ca (2);
Page generated: Tue Feb 25 10:18:05 2025
|
