4pdr

Crystal Structure of a K+ selective NaK mutant in Barium and Sodium

Method: X-RAY DIFFRACTION D_max: 108.8 Å Quality: REASONABLE

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Potassium channel protein

Bacillus cereus

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein homooligomer Homooligomer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 20–110	Fragment：UNP residues 20-110 Mutation：D66Y,N68D	BA BARIUM ION × 12 NA SODIUM ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；65%MPD, 100mM KCl, 100mM MES, 4mM n-Decyl-beta-D-Maltoside	Resolution 1.85 Å R-free 0.227
2	Protein homooligomer Homooligomer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain B； UniProt 20–110	Fragment：UNP residues 20-110 Mutation：D66Y,N68D	BA BARIUM ION × 12 NA SODIUM ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 12	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；65%MPD, 100mM KCl, 100mM MES, 4mM n-Decyl-beta-D-Maltoside	Resolution 1.85 Å R-free 0.227

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 4PDR	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2Q67 Crystal Structure of Nak channel D66A mutant Deposited 2007-06-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 1–110（110 aa） Chain B 1–110（110 aa）	Mutation：D66A Mutation：D66A	NA SODIUM ION × 2 CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；200 mM CaCl2, 100 mM Tris-HCl, 37-42% PEG400, 4% t-Butanol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.30 Å R-free 0.266
2Q68 Crystal Structure of Nak channel D66A, S70E double mutants Deposited 2007-06-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 1–110（110 aa） Chain B 1–110（110 aa）	Mutation：D66A, S70E Mutation：D66A, S70E	CA CALCIUM ION × 4 NA SODIUM ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；200 mM CaCl2, 100 mM Tris-HCl, 37-42% PEG400, 4% t-Butanol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.50 Å R-free 0.262
2Q69 Crystal Structure of Nak channel D66N mutant Deposited 2007-06-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 1–110（110 aa） Chain B 1–110（110 aa）	Mutation：D66N Mutation：D66N	NA SODIUM ION × 4 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；200 mM CaCl2, 100 mM Tris-HCl, 37-42% PEG400, 4% t-Butanol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.40 Å R-free 0.267
2Q6A Crystal Structure of Nak channel D66E mutant Deposited 2007-06-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 1–110（110 aa） Chain B 1–110（110 aa）	Mutation：D66E Mutation：D66E	CA CALCIUM ION × 4 NA SODIUM ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；200 mM CaCl2, 100 mM Tris-HCl, 37-42% PEG400, 4% t-Butanol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.60 Å R-free 0.280
3E83 Crystal Structure of the the open NaK channel pore Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	CS CESIUM ION × 4 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM Hepes, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), 500mM NaCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.80 Å R-free 0.236
3E83 Crystal Structure of the the open NaK channel pore Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	CS CESIUM ION × 4 NA SODIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM Hepes, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), 500mM NaCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.80 Å R-free 0.236
3E86 High resolution Crystal Structure of the open NaK channel pore Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Fragment：transmembrane domain, RESIDUES 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 CS CESIUM ION × 4 CA CALCIUM ION × 4 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；100mM Glycine buffer, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), 1mM CaCl2, pH 9.5, vapor diffusion, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP	Resolution 1.60 Å R-free 0.242
3E86 High resolution Crystal Structure of the open NaK channel pore Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 19–110（92 aa） Fragment：transmembrane domain, RESIDUES 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 CS CESIUM ION × 4 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；100mM Glycine buffer, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), 1mM CaCl2, pH 9.5, vapor diffusion, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP	Resolution 1.60 Å R-free 0.242
3E89 Crystal Structure of the the open NaK channel-low Na+ complex Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 CS CESIUM ION × 4 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM Hepes buffer, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.80 Å R-free 0.248
3E89 Crystal Structure of the the open NaK channel-low Na+ complex Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 CS CESIUM ION × 4 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM Hepes buffer, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.80 Å R-free 0.248
3E8B Crystal Structure of the the open NaK channel- Rb+ complex Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 RB RUBIDIUM ION × 24	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM Hepes buffer, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.70 Å R-free 0.229
3E8B Crystal Structure of the the open NaK channel- Rb+ complex Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 RB RUBIDIUM ION × 20	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM Hepes buffer, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.70 Å R-free 0.229
3E8F Crystal Structure of the the open NaK channel- K+/Ba2+ Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 BA BARIUM ION × 8 K POTASSIUM ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM Hepes Buffer, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), Soaked in stabilization solution containing 67mM KCl and 33mM BaCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.00 Å R-free 0.248
3E8F Crystal Structure of the the open NaK channel- K+/Ba2+ Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 BA BARIUM ION × 8 K POTASSIUM ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM Hepes Buffer, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), Soaked in stabilization solution containing 67mM KCl and 33mM BaCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.00 Å R-free 0.248
3E8G Crystal Structure of the the open NaK channel-Na+/Ca2+ complex Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 CS CESIUM ION × 4 CA CALCIUM ION × 4 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM Hepes, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), 10mM CaCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.00 Å R-free 0.235
3E8G Crystal Structure of the the open NaK channel-Na+/Ca2+ complex Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 CS CESIUM ION × 4 CA CALCIUM ION × 4 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM Hepes, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), 10mM CaCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.00 Å R-free 0.235
3E8H Crystal Structure of the the open NaK channel-K+ complex Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 K POTASSIUM ION × 24	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM GHepes buffer, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.80 Å R-free 0.234
3E8H Crystal Structure of the the open NaK channel-K+ complex Deposited 2008-08-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 19–110（92 aa） Fragment：transmembrane domain, residues 19-110	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM GHepes buffer, 55-70% (4S)-2-Methyl-2,4-pentanediol (MPD), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.80 Å R-free 0.234
3K03 Crystal Structure of CNG mimicking NaK mutant, NaK-DTPP, K+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 12 K POTASSIUM ION × 20	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, KCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.62 Å R-free 0.222
3K03 Crystal Structure of CNG mimicking NaK mutant, NaK-DTPP, K+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, KCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.62 Å R-free 0.222
3K04 Crystal Structure of CNG mimicking NaK mutant, NaK-DTPP, Na+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 16 NA SODIUM ION × 24	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, NaCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.58 Å R-free 0.235
3K04 Crystal Structure of CNG mimicking NaK mutant, NaK-DTPP, Na+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, NaCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.58 Å R-free 0.235
3K06 Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, K+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 20 K POTASSIUM ION × 20	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, KCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.58 Å R-free 0.214
3K06 Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, K+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, KCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.58 Å R-free 0.214
3K08 Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, Na+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 16 NA SODIUM ION × 24	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, NaCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.62 Å R-free 0.227
3K08 Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, Na+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 NA SODIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, NaCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.62 Å R-free 0.227
3K0D Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, K+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 12 K POTASSIUM ION × 20	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, KCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.95 Å R-free 0.239
3K0D Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, K+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, KCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.95 Å R-free 0.239
3K0G Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Na+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 12 NA SODIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, NaCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.95 Å R-free 0.228
3K0G Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Na+ complex Deposited 2009-09-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 NA SODIUM ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；MPD, NaCl, pH 6.5-8.5, vapor diffusion, temperature 293K	Resolution 1.95 Å R-free 0.228
3T1C Crystal Structure of NaK Channel D66Y Mutant Deposited 2011-07-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Mutation：D66Y	K POTASSIUM ION × 20	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100mM Tris, 70% MPD, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.80 Å R-free 0.233
3T1C Crystal Structure of NaK Channel D66Y Mutant Deposited 2011-07-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Mutation：D66Y	K POTASSIUM ION × 20	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100mM Tris, 70% MPD, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.80 Å R-free 0.233
3T2M Crystal Structure of NaK Channel N68D Mutant Deposited 2011-07-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Mutation：N68D	K POTASSIUM ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；70% MPD, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.95 Å R-free 0.223
3T2M Crystal Structure of NaK Channel N68D Mutant Deposited 2011-07-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Mutation：N68D	K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；70% MPD, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.95 Å R-free 0.223
3T4D Crystal Structure of NaK2K Channel Y55F Mutant Deposited 2011-07-25	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Mutation：Y55F, D66Y, N68D	K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；65% MPD, 100mM Glycine, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.70 Å R-free 0.225
3T4D Crystal Structure of NaK2K Channel Y55F Mutant Deposited 2011-07-25	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Mutation：Y55F, D66Y, N68D	K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；65% MPD, 100mM Glycine, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.70 Å R-free 0.225
3T4Z Crystal Structure of NaK2K Channel Y55W Mutant Deposited 2011-07-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Mutation：Y55W, D66Y, N68D	K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；65% MPD, 100mM Glycine, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.90 Å R-free 0.241
3T4Z Crystal Structure of NaK2K Channel Y55W Mutant Deposited 2011-07-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Mutation：Y55W, D66Y, N68D	K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；65% MPD, 100mM Glycine, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.90 Å R-free 0.241
3TCU Crystal Structure of NaK2K Channel D68E Mutant Deposited 2011-08-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Mutation：D66Y, N68E	K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；60% MPD, 100mM Glycine, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.75 Å R-free 0.225
3TCU Crystal Structure of NaK2K Channel D68E Mutant Deposited 2011-08-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Mutation：D66Y, N68E	K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；60% MPD, 100mM Glycine, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.75 Å R-free 0.225
3TET Crystal Structure of NaK2K Channel Y66F Mutant Deposited 2011-08-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa）	Mutation：D66F, N68D	K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；77.5% MPD, 100mM MES, 100mM KCl, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.90 Å R-free 0.239
3TET Crystal Structure of NaK2K Channel Y66F Mutant Deposited 2011-08-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa）	Mutation：D66F, N68D	K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；77.5% MPD, 100mM MES, 100mM KCl, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.90 Å R-free 0.239
4PDL Structure of K+ selective NaK mutant in caesium Deposited 2014-04-19	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa） Fragment：UNP residues 20-110	Mutation：D66Y,N68D	CS CESIUM ION × 12 NA SODIUM ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 HEX HEXANE × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；65% MPD, 100mM CsCl, 100mM MES, 4mM DM	Resolution 1.70 Å R-free 0.236
4PDL Structure of K+ selective NaK mutant in caesium Deposited 2014-04-19	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa） Fragment：UNP residues 20-110	Mutation：D66Y,N68D	CS CESIUM ION × 8 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 HEX HEXANE × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；65% MPD, 100mM CsCl, 100mM MES, 4mM DM	Resolution 1.70 Å R-free 0.236
4PDM Crystal Structure of K+ selective NaK mutant in rubidium Deposited 2014-04-19	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa） Fragment：UNP residues 20-110	Mutation：D66Y,N68D	RB RUBIDIUM ION × 12 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；65%MPD, 100mM KCl, 100mM MES, 4mM n-Decyl-beta-D-Maltoside	Resolution 1.58 Å R-free 0.234
4PDM Crystal Structure of K+ selective NaK mutant in rubidium Deposited 2014-04-19	Different ligand/ion Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa） Fragment：UNP residues 20-110	Mutation：D66Y,N68D	RB RUBIDIUM ION × 12 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；65%MPD, 100mM KCl, 100mM MES, 4mM n-Decyl-beta-D-Maltoside	Resolution 1.58 Å R-free 0.234
4PDV Structure of K+ selective NaK mutant in barium and potassium Deposited 2014-04-22	Different mutation/modification Different ligand/ion Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa） Fragment：UNP residues 20-110	Mutation：D66Y, N68D	K POTASSIUM ION × 12 BA BARIUM ION × 8 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；65%MPD, 100mM KCl, 100mM MES, 4mM n-Decyl-beta-D-Maltoside	Resolution 1.82 Å R-free 0.232
4PDV Structure of K+ selective NaK mutant in barium and potassium Deposited 2014-04-22	Different mutation/modification Different ligand/ion Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa） Fragment：UNP residues 20-110	Mutation：D66Y, N68D	K POTASSIUM ION × 12 BA BARIUM ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；65%MPD, 100mM KCl, 100mM MES, 4mM n-Decyl-beta-D-Maltoside	Resolution 1.82 Å R-free 0.232
4R50 Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Li+ Deposited 2014-08-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 20–110（91 aa） Fragment：residues 20-110 Chain B 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P Mutation：D66E, G67T, N68P, F69P	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 GLY GLYCINE × 24	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；40-70% MPD, 20-100mM Glycine, pH 6.5 - 7.5, VAPOR DIFFUSION, HANGING DROP	Resolution 2.85 Å R-free 0.183
4R50 Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Li+ Deposited 2014-08-20	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 GLY GLYCINE × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；40-70% MPD, 20-100mM Glycine, pH 6.5 - 7.5, VAPOR DIFFUSION, HANGING DROP	Resolution 2.85 Å R-free 0.183
4R50 Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Li+ Deposited 2014-08-20	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P	GLY GLYCINE × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；40-70% MPD, 20-100mM Glycine, pH 6.5 - 7.5, VAPOR DIFFUSION, HANGING DROP	Resolution 2.85 Å R-free 0.183
4R6Z Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Cs+ complex Deposited 2014-08-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P	CS CESIUM ION × 8 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 GLY GLYCINE × 20	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；CNG-ETPP(K+) crystals grown in 100mM MES pH 6.5, 60-66% (w/v) MPD, 100mM Glycine. Soaking overnight in 70% MPD, 10mM DM, 100mM Hepes pH 7.5 and 100mM CsCl, VAPOR DIFFUSION, HANGING DROP	Resolution 2.30 Å R-free 0.182
4R6Z Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Cs+ complex Deposited 2014-08-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P	CS CESIUM ION × 12 GLY GLYCINE × 28	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；CNG-ETPP(K+) crystals grown in 100mM MES pH 6.5, 60-66% (w/v) MPD, 100mM Glycine. Soaking overnight in 70% MPD, 10mM DM, 100mM Hepes pH 7.5 and 100mM CsCl, VAPOR DIFFUSION, HANGING DROP	Resolution 2.30 Å R-free 0.182
4R7C Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with DiMethylammonium Deposited 2014-08-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa） Fragment：residues 20-110 Chain B 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P Mutation：D66E, G67T, N68P, F69P	GLY GLYCINE × 32 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 14 DMN DIMETHYLAMINE × 32	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；CNG-ETPP(DiMA+) cocrystals grown in 40-44% MPD, 100mM MES pH6.5 and 20-25 mM Glycine, VAPOR DIFFUSION, HANGING DROP	Resolution 2.30 Å R-free 0.248
4R7C Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with DiMethylammonium Deposited 2014-08-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain C 20–110（91 aa） Fragment：residues 20-110 Chain D 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P Mutation：D66E, G67T, N68P, F69P	GLY GLYCINE × 26 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 DMN DIMETHYLAMINE × 18	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；CNG-ETPP(DiMA+) cocrystals grown in 40-44% MPD, 100mM MES pH6.5 and 20-25 mM Glycine, VAPOR DIFFUSION, HANGING DROP	Resolution 2.30 Å R-free 0.248
4R8C Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Rb+ Deposited 2014-09-01	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P	RB RUBIDIUM ION × 12 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 GLY GLYCINE × 20	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；CNG-ETPP(K+) crystals grown in 100mM MES pH 6.5, 60-66% (w/v) MPD, 100mM Glycine, Soaking O.N. in 70% MPD, 10mM DM, 100mM Hepes pH 7.5 and 100mM RbCl, VAPOR DIFFUSION, HANGING DROP	Resolution 2.50 Å R-free 0.257
4R8C Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Rb+ Deposited 2014-09-01	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P	RB RUBIDIUM ION × 12 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 GLY GLYCINE × 20	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；CNG-ETPP(K+) crystals grown in 100mM MES pH 6.5, 60-66% (w/v) MPD, 100mM Glycine, Soaking O.N. in 70% MPD, 10mM DM, 100mM Hepes pH 7.5 and 100mM RbCl, VAPOR DIFFUSION, HANGING DROP	Resolution 2.50 Å R-free 0.257
4RAI Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Na+ Deposited 2014-09-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P	NA SODIUM ION × 16 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 GLY GLYCINE × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；CNG-ETPP(K+) crystals grown in 100mM MES pH 6.5, 60-66% (w/v) MPD, 100mM Glycine, Soaking O.N. in 70% MPD, 10mM DM, 100mM Hepes pH 7.5 and 100mM NaCl, VAPOR DIFFUSION, HANGING DROP	Resolution 2.31 Å R-free 0.215
4RAI Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Na+ Deposited 2014-09-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P	NA SODIUM ION × 12 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 12 GLY GLYCINE × 28	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；CNG-ETPP(K+) crystals grown in 100mM MES pH 6.5, 60-66% (w/v) MPD, 100mM Glycine, Soaking O.N. in 70% MPD, 10mM DM, 100mM Hepes pH 7.5 and 100mM NaCl, VAPOR DIFFUSION, HANGING DROP	Resolution 2.31 Å R-free 0.215
4RO2 Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Methylammonium Deposited 2014-10-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa） Fragment：residues 20-110 Chain B 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P Mutation：D66E, G67T, N68P, F69P	3P8 methylammonium ion × 2 GLY GLYCINE × 34 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；100mM MES pH 6.5, 25mM Glycine, 40-44% MPD, 100mM MACl, VAPOR DIFFUSION, HANGING DROP	Resolution 2.70 Å R-free 0.283
4RO2 Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Methylammonium Deposited 2014-10-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain C 20–110（91 aa） Fragment：residues 20-110 Chain D 20–110（91 aa） Fragment：residues 20-110	Mutation：D66E, G67T, N68P, F69P Mutation：D66E, G67T, N68P, F69P	3P8 methylammonium ion × 2 GLY GLYCINE × 22 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；100mM MES pH 6.5, 25mM Glycine, 40-44% MPD, 100mM MACl, VAPOR DIFFUSION, HANGING DROP	Resolution 2.70 Å R-free 0.283
4ZBM Crystal structure of Drosophila cyclic nucleotide gated channel pore mimicking NaK mutant Deposited 2015-04-14	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–110（91 aa） Fragment：UNP residues 22-110	Not recorded	K POTASSIUM ION × 12 BA BARIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；65%MPD, 100mM KCl, 100mM MES, 4mM n-Decyl-beta-D-Maltoside	Resolution 1.90 Å R-free 0.236
4ZBM Crystal structure of Drosophila cyclic nucleotide gated channel pore mimicking NaK mutant Deposited 2015-04-14	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 20–110（91 aa） Fragment：UNP residues 22-110	Not recorded	K POTASSIUM ION × 8 BA BARIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；65%MPD, 100mM KCl, 100mM MES, 4mM n-Decyl-beta-D-Maltoside	Resolution 1.90 Å R-free 0.236
6FIZ Crystal Structure of CNG mimicking NaK-EAPP mutant (T67A) cocrystallized with K+ Deposited 2018-01-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 20–64（45 aa） Chain A 72–110（39 aa） Chain B 20–64（45 aa） Chain B 72–110（39 aa） Chain C 20–64（45 aa） Chain C 72–110（39 aa） Chain D 20–64（45 aa） Chain D 72–110（39 aa）	Not recorded	GLY GLYCINE × 10 K POTASSIUM ION × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；40-44% MPD 100 mM MES pH 6.5 25mM Glycine	Resolution 2.63 Å R-free 0.269
6FIZ Crystal Structure of CNG mimicking NaK-EAPP mutant (T67A) cocrystallized with K+ Deposited 2018-01-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain E 20–64（45 aa） Chain E 72–110（39 aa） Chain F 20–64（45 aa） Chain F 72–110（39 aa） Chain G 20–64（45 aa） Chain G 72–110（39 aa） Chain H 20–64（45 aa） Chain H 72–110（39 aa）	Not recorded	GLY GLYCINE × 12 K POTASSIUM ION × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；40-44% MPD 100 mM MES pH 6.5 25mM Glycine	Resolution 2.63 Å R-free 0.269
6FIZ Crystal Structure of CNG mimicking NaK-EAPP mutant (T67A) cocrystallized with K+ Deposited 2018-01-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain I 20–64（45 aa） Chain I 72–110（39 aa） Chain J 20–64（45 aa） Chain J 72–110（39 aa） Chain K 20–64（45 aa） Chain K 72–110（39 aa） Chain L 20–64（45 aa） Chain L 72–110（39 aa）	Not recorded	GLY GLYCINE × 17 K POTASSIUM ION × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；40-44% MPD 100 mM MES pH 6.5 25mM Glycine	Resolution 2.63 Å R-free 0.269
6FIZ Crystal Structure of CNG mimicking NaK-EAPP mutant (T67A) cocrystallized with K+ Deposited 2018-01-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain M 20–64（45 aa） Chain M 72–110（39 aa） Chain N 20–64（45 aa） Chain N 72–110（39 aa） Chain O 20–64（45 aa） Chain O 72–110（39 aa） Chain P 20–64（45 aa） Chain P 72–110（39 aa）	Not recorded	GLY GLYCINE × 21 K POTASSIUM ION × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；40-44% MPD 100 mM MES pH 6.5 25mM Glycine	Resolution 2.63 Å R-free 0.269
7OOR NaK C-DI mutant with Na+ and K+ Deposited 2021-05-28	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Chain B 19–110（92 aa）	Mutation：D66C G67- N68D F69I Mutation：D66C G67- N68D F69I	K POTASSIUM ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 34 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 NA SODIUM ION × 10 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；200mM KF, 40% MPD (2-Methyl-2,4-pentanediol racemate)	Resolution 1.47 Å R-free 0.183
7OOU NaK C-DI mutant with Li+ and K+ Deposited 2021-05-28	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Chain B 19–110（92 aa）	Mutation：D66C G67- N68D F69I Mutation：D66C G67- N68D F69I	K POTASSIUM ION × 8 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 20 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 ACT ACETATE ION × 20 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；200mM K acetate, 40% MPD (2-Methyl-2,4-pentanediol racemate)	Resolution 1.80 Å R-free 0.206
7OPH NaK S-DI mutant with Na+ and K+ Deposited 2021-05-31	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Chain B 19–110（92 aa）	Mutation：D66S G67- N68D F69I Mutation：D66S G67- N68D F69I	K POTASSIUM ION × 12 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 22 CL CHLORIDE ION × 4 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；200 mM KCl, 100 mM HEPES (KOH) pH 7.5, 62% MPD (2-Methyl-2,4-pentanediol racemate)	Resolution 1.42 Å R-free 0.179
7OQ1 NaK S-ELM mutant with Na+ and K+ Deposited 2021-06-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Chain B 19–110（92 aa）	Mutation：D66S G67- N68E F69L S70M Mutation：D66S G67- N68E F69L S70M	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 14 K POTASSIUM ION × 6 ACT ACETATE ION × 24 CL CHLORIDE ION × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 NA SODIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM HEPES (NaOH) pH 7.5, 47% MPD (2-Methyl-2,4-pentanediol racemate)	Resolution 1.85 Å R-free 0.186
7OQ2 NaK S-DI mutant soaked in Na+ Deposited 2021-06-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Chain B 19–110（92 aa）	Mutation：D66S G67- N68D F69I Mutation：D66S G67- N68D F69I	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 36 NA SODIUM ION × 8 K POTASSIUM ION × 4 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；200 mM KCl, 100 mM HEPES (KOH) pH 7.5, 62% MPD (2-Methyl-2,4-pentanediol racemate) - soaked in 100 mM NaCl, 100 mM Tris-HCl pH 8.0, 50% MPD	Resolution 1.70 Å R-free 0.233
7PA0 NaK C-DI F92A mutant with Rb+ and K+ Deposited 2021-07-28	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Chain B 19–110（92 aa）	Mutation：D66C G67- N68D F69I F92A Mutation：D66C G67- N68D F69I F92A	RB RUBIDIUM ION × 6 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 36 K POTASSIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；200 mM RbCl, 100 mM Tris-HCl pH 8.0, 63% MPD (2-Methyl-2,4-pentanediol racemate)	Resolution 1.95 Å R-free 0.248
8A35 NaK C-DI mutant with Rb+ and Na+ Deposited 2022-06-07	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa）	Mutation：D66C G67- N68D F69I	RB RUBIDIUM ION × 8 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM HEPES (NaOH) pH 7.5, 5% PEG 4000, 30% MPD (2-Methyl-2,4-pentanediol racemate)	Resolution 2.05 Å R-free 0.217
8A35 NaK C-DI mutant with Rb+ and Na+ Deposited 2022-06-07	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 19–110（92 aa）	Mutation：D66C G67- N68D F69I	RB RUBIDIUM ION × 8 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 20 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM HEPES (NaOH) pH 7.5, 5% PEG 4000, 30% MPD (2-Methyl-2,4-pentanediol racemate)	Resolution 2.05 Å R-free 0.217
8A7X NaK C-DI F92A mutant soaked in Cs+ Deposited 2022-06-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa）	Mutation：D66C G67- N68D F69I F92A	CS CESIUM ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 28 K POTASSIUM ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；200 mM CsCl 100 mM Tris-HCl pH 8.0, 63% MPD (2-Methyl-2,4-pentanediol racemate) - soaked in 90 mM CsCl, 100 mM Kryptofix-222, 50% MPD	Resolution 2.10 Å R-free 0.240
8A7X NaK C-DI F92A mutant soaked in Cs+ Deposited 2022-06-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 19–110（92 aa）	Mutation：D66C G67- N68D F69I F92A	CS CESIUM ION × 12 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 44 K POTASSIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；200 mM CsCl 100 mM Tris-HCl pH 8.0, 63% MPD (2-Methyl-2,4-pentanediol racemate) - soaked in 90 mM CsCl, 100 mM Kryptofix-222, 50% MPD	Resolution 2.10 Å R-free 0.240
8AYP NaK C-DI mutant with Rb+ and Ba2+ Deposited 2022-09-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Chain B 19–110（92 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 24 RB RUBIDIUM ION × 4 BA BARIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；100 mM MES (NaOH), 40% v/v MPD (2-Methyl-2,4-pentanediol racemate)	Resolution 2.10 Å R-free 0.267
8AYP NaK C-DI mutant with Rb+ and Ba2+ Deposited 2022-09-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain C 19–110（92 aa） Chain D 19–110（92 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 34 RB RUBIDIUM ION × 4 BA BARIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；100 mM MES (NaOH), 40% v/v MPD (2-Methyl-2,4-pentanediol racemate)	Resolution 2.10 Å R-free 0.267
8AYQ NaK C-DI mutant with Rb+ and Ca2+ Deposited 2022-09-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 19–110（92 aa） Chain B 19–110（92 aa）	Not recorded	RB RUBIDIUM ION × 4 CA CALCIUM ION × 6 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 22 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；100 mM MES (NaOH), 40% v/v MPD (2-Methyl-2,4-pentanediol racemate)	Resolution 2.75 Å R-free 0.300
8AYQ NaK C-DI mutant with Rb+ and Ca2+ Deposited 2022-09-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain C 19–110（92 aa） Chain D 19–110（92 aa）	Not recorded	RB RUBIDIUM ION × 4 CA CALCIUM ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 14	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；100 mM MES (NaOH), 40% v/v MPD (2-Methyl-2,4-pentanediol racemate)	Resolution 2.75 Å R-free 0.300

44 other PDB entries and 81 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	Q81HW2_BACCR
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 3–93； UniProt 20–110 Author chain B； PDBConstruct 3–93； UniProt 20–110

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	4pdr
Deposition date deposition_date	2014-04-21
Structure title title	Crystal Structure of a K+ selective NaK mutant in Barium and Sodium
Keywords keywords	;Bacillus cereus, Binding Sites, Electrophysiology, Ions, Potassium, Potassium Channels, Sodium, rubidium, blockage, TRANSPORT PROTEIN ;; TRANSPORT PROTEIN
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	27.80 Å
Radius of gyration Rg (electron density) rg_electron	28.98 Å
Forward intensity I(0) i0	6447920.00
Molecular weight molecular_weight	22218.0 kDa
Excluded volume excluded_volume	28807 Å³
Envelope volume envelope_volume	39612 Å³
Hydration-shell volume shell_volume	13039 Å³
Envelope diameter envelope_diameter	113.8 Å
Shell Rg shell_rg	31.12 Å
Envelope Rg envelope_rg	30.02 Å
Shape Rg shape_rg	29.11 Å
Total Rg total_rg	28.76 Å
Total atoms total_atoms	1525
Residues n_residues	189
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	108.8 Å
Rg (real space) rg_real	28.62 Å
Rg uncertainty (real space) rg_real_error	1.58 Å
I(0) (real space) i0_real	6.4480e+06
I(0) uncertainty (real space) i0_real_error	1.1070e+05
Rg (reciprocal space) rg_reciprocal	28.37 Å
I(0) (reciprocal space) i0_reciprocal	6447000.0000
Solution quality estimate total_estimate	0.6925
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	21.0 Å
Skewness Skewness skewness	0.714
Kurtosis Kurtosis kurtosis	-0.092
Angular range angular_range	— – 0.2850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	319100.0000
Real-space data points n_real_points	58
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.316; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.064; Smooth: 0.985

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Potassium channel protein
Molecular weight formula_weight	10771.7 kDa
Mutation mutation	D66Y,N68D
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	1587

MAKDKEFQVLFVLTILTLISGTIFYSTVEGLRPIDALYFSVVTLTTVGYGDFSPQTDFGKIFTILYIFIGIGLVFGFIHKLAVNVQLPSILSNLVPR

来源 Source

来源生物 organism	Bacillus cereus
NCBI Class编号 ncbi_taxonomy_id	226900
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	BARIUM ION
Molecular weight formula_weight	137.3 kDa
Source method src_method	syn
Copy count entity_count	6

Entity 3 Entity 3 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 non-polymer

Description description	(4S)-2-METHYL-2,4-PENTANEDIOL
Molecular weight formula_weight	118.2 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	62

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	4pdrA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	287 — Helix Hairpins
Homologous superfamily homologous superfamily	70 —

Domain ID domain_id	4pdrB00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	287 — Helix Hairpins
Homologous superfamily homologous superfamily	70 —

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8. Citations (1)

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Unit-cell length a length_a	68.042 Å
Unit-cell length b length_b	68.042 Å
Unit-cell length c length_c	89.627 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	16

Space group space_group	I 4
Space-group number int_tables_number	79
Crystal system crystal_system	—

Resolution resolution	1.850 Å
Low-resolution limit resolution_low	28.810 Å
R factor r_factor	0.2010
R_work r_work	0.2000
R_free r_free	0.2270

fit	/app/data/saxs_computation/pd/4pdr/4pdr.fit
pddf	/app/data/pr_computation/pd/4pdr/4pdr.pr.out
profile	/app/data/saxs_computation/pd/4pdr/4pdr.dat