4p5s

Structure of reduced W45Y mutant of amicyanin

Method: X-RAY DIFFRACTION D_max: 43.8 Å Quality: GOOD

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

Amicyanin

Paracoccus denitrificans

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 27–131	Fragment：UNP residues 27-131 Mutation：W45Y	CU1 COPPER (I) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；291 K；Initial crystals were obtained from Hampton research ammonium sulfate screen (HR2-211). Bigger crystals grown by macro-seeding using 3.2M Na/K phosphate solution.	Resolution 1.02 Å R-free 0.150

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 4P5S	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1AAC AMICYANIN OXIDIZED, 1.31 ANGSTROMS Deposited 1995-09-07	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.31 Å
1AAJ CRYSTAL STRUCTURE ANALYSIS OF AMICYANIN AND APOAMICYANIN FROM PARACOCCUS DENITRIFICANS AT 2.0 ANGSTROMS AND 1.8 ANGSTROMS RESOLUTION Deposited 1992-04-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å
1AAN CRYSTAL STRUCTURE ANALYSIS OF AMICYANIN AND APOAMICYANIN FROM PARACOCCUS DENITRIFICANS AT 2.0 ANGSTROMS AND 1.8 ANGSTROMS RESOLUTION Deposited 1992-04-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
1BXA AMICYANIN REDUCED, PH 4.4, 1.3 ANGSTROMS Deposited 1998-10-01	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Not recorded	CU1 COPPER (I) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.38；pH 4.38	Resolution 1.30 Å R-free 0.195
1MDA CRYSTAL STRUCTURE OF AN ELECTRON-TRANSFER COMPLEX BETWEEN METHYLAMINE DEHYDROGENASE AND AMICYANIN Deposited 1992-03-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 29–131（103 aa） Chain B 29–131（103 aa）	Not recorded	CU COPPER (II) ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.50 Å
1MG2 MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN Deposited 2002-08-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain C 27–131（105 aa） Chain G 27–131（105 aa）	Not recorded	PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.25 Å R-free 0.210
1MG2 MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN Deposited 2002-08-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain K 27–131（105 aa） Chain O 27–131（105 aa）	Not recorded	PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.25 Å R-free 0.210
1MG3 MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN Deposited 2002-08-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain C 27–131（105 aa） Chain G 27–131（105 aa）	Not recorded	PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.40 Å R-free 0.246
1MG3 MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN Deposited 2002-08-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain K 27–131（105 aa） Chain O 27–131（105 aa）	Not recorded	PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.40 Å R-free 0.246
1SF3 Structure of the reduced form of the P94A mutant of amicyanin Deposited 2004-02-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：P94A	CU1 COPPER (I) ION × 1 PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5；293 K；3.6 M monobasic sodium phosphate, 0.4 M dibasic potassium phosphate, pH 5.0, EVAPORATION, temperature 293.0K	Resolution 1.05 Å R-free 0.147
1SF5 Structure of oxidized state of the P94A mutant of amicyanin Deposited 2004-02-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：P94A Non-standard monomer：Yes (specific site not provided by mmCIF)	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5；293 K；3.6 M monobasic sodium phosphate, 0.4 M dibasic potassium phosphate, pH 5.0, EVAPORATION, temperature 293.0K	Resolution 1.10 Å R-free 0.166
1SFD oxidized form of amicyanin mutant P94F Deposited 2004-02-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：P94F	CU COPPER (II) ION × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；100 mM sodium citrate, 2.25 M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K	Resolution 0.99 Å R-free 0.147
1SFD oxidized form of amicyanin mutant P94F Deposited 2004-02-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 27–131（105 aa）	Mutation：P94F	CU COPPER (II) ION × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；100 mM sodium citrate, 2.25 M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K	Resolution 0.99 Å R-free 0.147
1SFH Reduced state of amicyanin mutant P94F Deposited 2004-02-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：P94F	CU1 COPPER (I) ION × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；80% 2.5 M monobasic sodium phosphate, 20% 2.5 M dibasic potassium phosphate, pH 5.5, EVAPORATION, temperature 293.0K	Resolution 1.05 Å R-free 0.153
1SFH Reduced state of amicyanin mutant P94F Deposited 2004-02-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 27–131（105 aa）	Mutation：P94F	CU1 COPPER (I) ION × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；80% 2.5 M monobasic sodium phosphate, 20% 2.5 M dibasic potassium phosphate, pH 5.5, EVAPORATION, temperature 293.0K	Resolution 1.05 Å R-free 0.153
1T5K Crystal structure of amicyanin substituted with cobalt Deposited 2004-05-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Not recorded	CO COBALT (II) ION × 1 PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；3.6 M monobasic sodium phosphate, 0.4 M dibasic potassium phosphate, pH 5.5, EVAPORATION, temperature 293.0K	Resolution 1.40 Å R-free 0.210
1T5K Crystal structure of amicyanin substituted with cobalt Deposited 2004-05-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 27–131（105 aa）	Not recorded	CO COBALT (II) ION × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；3.6 M monobasic sodium phosphate, 0.4 M dibasic potassium phosphate, pH 5.5, EVAPORATION, temperature 293.0K	Resolution 1.40 Å R-free 0.210
1T5K Crystal structure of amicyanin substituted with cobalt Deposited 2004-05-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 27–131（105 aa）	Not recorded	CO COBALT (II) ION × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；3.6 M monobasic sodium phosphate, 0.4 M dibasic potassium phosphate, pH 5.5, EVAPORATION, temperature 293.0K	Resolution 1.40 Å R-free 0.210
1T5K Crystal structure of amicyanin substituted with cobalt Deposited 2004-05-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 27–131（105 aa）	Not recorded	CO COBALT (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；3.6 M monobasic sodium phosphate, 0.4 M dibasic potassium phosphate, pH 5.5, EVAPORATION, temperature 293.0K	Resolution 1.40 Å R-free 0.210
2GB2 The P52G mutant of amicyanin in the Cu(II) state. Deposited 2006-03-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：P52G	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 4.3；293 K；2.67 M sodium phosphate, 80:20 monobasic:dibasic, covered with mineral oil, pH 4.3, EVAPORATION, temperature 293K	Resolution 1.25 Å R-free 0.184
2GBA Reduced Cu(I) form at pH 4 of P52G mutant of amicyanin Deposited 2006-03-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：P52G	CU1 COPPER (I) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 4.3；293 K；3.0 M sodium phosphate 90:10 monobasic:dibasic covered drop in mineral oil, pH 4.3, EVAPORATION, temperature 293K	Resolution 0.92 Å R-free 0.147
2GC4 Structural comparison of the oxidized ternary electron transfer complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans with the substrate-reduced, copper free complex at 1.9 A resolution. Deposited 2006-03-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 27–131（105 aa）	Not recorded	CU COPPER (II) ION × 1 NA SODIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；2.3-2.6M Sodium/potassium phosphate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 1.90 Å R-free 0.197
2GC4 Structural comparison of the oxidized ternary electron transfer complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans with the substrate-reduced, copper free complex at 1.9 A resolution. Deposited 2006-03-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain G 27–131（105 aa）	Not recorded	CU COPPER (II) ION × 1 NA SODIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；2.3-2.6M Sodium/potassium phosphate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 1.90 Å R-free 0.197
2GC4 Structural comparison of the oxidized ternary electron transfer complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans with the substrate-reduced, copper free complex at 1.9 A resolution. Deposited 2006-03-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain K 27–131（105 aa）	Not recorded	CU COPPER (II) ION × 1 NA SODIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；2.3-2.6M Sodium/potassium phosphate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 1.90 Å R-free 0.197
2GC4 Structural comparison of the oxidized ternary electron transfer complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans with the substrate-reduced, copper free complex at 1.9 A resolution. Deposited 2006-03-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain O 27–131（105 aa）	Not recorded	CU COPPER (II) ION × 1 NA SODIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；2.3-2.6M Sodium/potassium phosphate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 1.90 Å R-free 0.197
2GC7 Substrate reduced, copper free complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans. Deposited 2006-03-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 27–131（105 aa）	Not recorded	NA SODIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；2.3-2.6M sodium/potassium phosphate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 1.90 Å R-free 0.198
2GC7 Substrate reduced, copper free complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans. Deposited 2006-03-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain G 27–131（105 aa）	Not recorded	NA SODIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；2.3-2.6M sodium/potassium phosphate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 1.90 Å R-free 0.198
2GC7 Substrate reduced, copper free complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans. Deposited 2006-03-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain K 27–131（105 aa）	Not recorded	NA SODIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；2.3-2.6M sodium/potassium phosphate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 1.90 Å R-free 0.198
2GC7 Substrate reduced, copper free complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans. Deposited 2006-03-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain O 27–131（105 aa）	Not recorded	NA SODIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；2.3-2.6M sodium/potassium phosphate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 1.90 Å R-free 0.198
2IDQ Structure of M98A mutant of amicyanin, Cu(II) Deposited 2006-09-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：M98A	CU COPPER (II) ION × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；10 mg/ml amicyanin in 3.0 M phosphate, pH 5.5, EVAPORATION, temperature 293K	Resolution 0.90 Å R-free 0.130
2IDS Structure of M98A mutant of amicyanin, Cu(I) Deposited 2006-09-15	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：M98A	CU1 COPPER (I) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；3.0 M phosphate, pH 5.5, EVAPORATION, temperature 293K	Resolution 1.00 Å R-free 0.170
2IDT Structure of M98Q mutant of amicyanin, Cu(II) Deposited 2006-09-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：M98Q Non-standard monomer：Yes (specific site not provided by mmCIF)	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；2.6 M phosphate, pH 5.5, EVAPORATION, temperature 293K	Resolution 1.00 Å R-free 0.158
2IDU Structure of M98Q mutant of amicyanin, Cu(I) Deposited 2006-09-15	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：M98Q Non-standard monomer：Yes (specific site not provided by mmCIF)	CU1 COPPER (I) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；2.6 M phosphate, pH 5.5, EVAPORATION, temperature 293K	Resolution 0.95 Å R-free 0.162
2J55 X-ray reduced Paraccocus denitrificans methylamine dehydrogenase O- quinone in complex with amicyanin. Deposited 2006-09-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 27–131（105 aa） Chain B 27–131（105 aa）	Not recorded	CU COPPER (II) ION × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.6；pH 5.60	Resolution 2.15 Å R-free 0.245
2J56 X-ray reduced Paraccocus denitrificans methylamine dehydrogenase N- semiquinone in complex with amicyanin. Deposited 2006-09-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 27–131（105 aa） Chain B 27–131（105 aa）	Not recorded	CU COPPER (II) ION × 2 GOL GLYCEROL × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 9；pH 9.00	Resolution 2.10 Å R-free 0.207
2J57 X-ray reduced Paraccocus denitrificans methylamine dehydrogenase N- quinol in complex with amicyanin. Deposited 2006-09-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 27–131（105 aa） Chain B 27–131（105 aa）	Not recorded	CU COPPER (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.6；pH 5.60	Resolution 2.25 Å R-free 0.241
2J57 X-ray reduced Paraccocus denitrificans methylamine dehydrogenase N- quinol in complex with amicyanin. Deposited 2006-09-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain C 27–131（105 aa） Chain D 27–131（105 aa）	Not recorded	CU COPPER (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.6；pH 5.60	Resolution 2.25 Å R-free 0.241
2MTA CRYSTAL STRUCTURE OF A TERNARY ELECTRON TRANSFER COMPLEX BETWEEN METHYLAMINE DEHYDROGENASE, AMICYANIN AND A C-TYPE CYTOCHROME Deposited 1993-10-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 27–131（105 aa）	Not recorded	PO4 PHOSPHATE ION × 2 CU COPPER (II) ION × 2 HEC HEME C × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.40 Å
2OV0 Structure of the blue copper protein Amicyanin to 0.75 A resolution Deposited 2007-02-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Not recorded	CU COPPER (II) ION × 1 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；3 M sodium phosphate, pH 5.5, EVAPORATION, temperature 293K	Resolution 0.75 Å R-free 0.142
2QDV Structure of the Cu(II) form of the M51A mutant of amicyanin Deposited 2007-06-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：M51A Non-standard monomer：Yes (specific site not provided by mmCIF)	CU COPPER (II) ION × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；2.5-3 M phosphate, 10 mg/ml amicyanin, pH 5.5, EVAPORATION, temperature 293K	Resolution 0.89 Å R-free 0.135
2QDW Structure of Cu(I) form of the M51A mutant of amicyanin Deposited 2007-06-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：M51A Non-standard monomer：Yes (specific site not provided by mmCIF)	CU1 COPPER (I) ION × 1 PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；293 K；2.5-3.0 M phosphate 10 mg/ml amicyanin, pH 5.5, EVAPORATION, temperature 293K	Resolution 0.92 Å R-free 0.147
2RAC AMICYANIN REDUCED, PH 7.7, 1.3 ANGSTROMS Deposited 1998-10-02	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Not recorded	CU1 COPPER (I) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.7；pH 7.70	Resolution 1.30 Å R-free 0.210
3IE9 Structure of oxidized M98L mutant of amicyanin Deposited 2009-07-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa） Fragment：residues 27-131	Mutation：M98L	PO4 PHOSPHATE ION × 1 CU COPPER (II) ION × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3.2M Ammonium sulfate, 90mM Tris PH 8.0, 10mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 2.10 Å R-free 0.214
3IE9 Structure of oxidized M98L mutant of amicyanin Deposited 2009-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain A 27–131（105 aa） Fragment：residues 27-131	Mutation：M98L	PO4 PHOSPHATE ION × 6 CU COPPER (II) ION × 6 ZN ZINC ION × 6 CL CHLORIDE ION × 6 ACT ACETATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3.2M Ammonium sulfate, 90mM Tris PH 8.0, 10mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 2.10 Å R-free 0.214
3IE9 Structure of oxidized M98L mutant of amicyanin Deposited 2009-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 27–131（105 aa） Fragment：residues 27-131	Mutation：M98L	PO4 PHOSPHATE ION × 3 CU COPPER (II) ION × 3 ZN ZINC ION × 3 CL CHLORIDE ION × 3 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3.2M Ammonium sulfate, 90mM Tris PH 8.0, 10mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 2.10 Å R-free 0.214
3IEA Structure of reduced M98L mutant of amicyanin Deposited 2009-07-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa） Fragment：residues 27-131	Mutation：M124L	PO4 PHOSPHATE ION × 1 CU COPPER (II) ION × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3.2M Ammonium sulfate, 90mM Tris PH 8.0, 10mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 2.20 Å R-free 0.200
3IEA Structure of reduced M98L mutant of amicyanin Deposited 2009-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain A 27–131（105 aa） Fragment：residues 27-131	Mutation：M124L	PO4 PHOSPHATE ION × 6 CU COPPER (II) ION × 6 ZN ZINC ION × 6 CL CHLORIDE ION × 6 ACT ACETATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3.2M Ammonium sulfate, 90mM Tris PH 8.0, 10mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 2.20 Å R-free 0.200
3L45 A Joint Neutron and X-ray structure of Oxidized Amicyanin Deposited 2009-12-18	Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa） Fragment：UNP residues 27-131	Not recorded	CU COPPER (II) ION × 1	Experimental method not declared X-ray crystallization conditions 291 K；2.4M ammonium sulfate, 100mM citric acid pH5 and 3M sodium monobasic/potassium dibasic phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.80 Å
3PLY Structure of Oxidized P96G Mutant of Amicyanin Deposited 2010-11-15	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa） Fragment：UNP residues 27-131	Mutation：P96G	CU COPPER (II) ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；1.8M sodium/potassium phosphate pH 7.5, 40mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 2.20 Å R-free 0.291
3PLY Structure of Oxidized P96G Mutant of Amicyanin Deposited 2010-11-15	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 27–131（105 aa） Fragment：UNP residues 27-131	Mutation：P96G	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；1.8M sodium/potassium phosphate pH 7.5, 40mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 2.20 Å R-free 0.291
3PLY Structure of Oxidized P96G Mutant of Amicyanin Deposited 2010-11-15	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 27–131（105 aa） Fragment：UNP residues 27-131	Mutation：P96G	CU COPPER (II) ION × 1 PO4 PHOSPHATE ION × 2 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；1.8M sodium/potassium phosphate pH 7.5, 40mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 2.20 Å R-free 0.291
3PLY Structure of Oxidized P96G Mutant of Amicyanin Deposited 2010-11-15	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 27–131（105 aa） Fragment：UNP residues 27-131	Mutation：P96G	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；1.8M sodium/potassium phosphate pH 7.5, 40mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 2.20 Å R-free 0.291
3RYM Structure of Oxidized M98K mutant of Amicyanin Deposited 2011-05-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa）	Mutation：M98K	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.01M zinc sulphate heptahydrate, 0.1M MES pH 6.5, 25% w/v PEG monomethylether 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.70 Å R-free 0.215
3RYM Structure of Oxidized M98K mutant of Amicyanin Deposited 2011-05-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 27–131（105 aa）	Mutation：M98K	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.01M zinc sulphate heptahydrate, 0.1M MES pH 6.5, 25% w/v PEG monomethylether 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.70 Å R-free 0.215
3RYM Structure of Oxidized M98K mutant of Amicyanin Deposited 2011-05-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 27–131（105 aa）	Mutation：M98K	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.01M zinc sulphate heptahydrate, 0.1M MES pH 6.5, 25% w/v PEG monomethylether 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.70 Å R-free 0.215
3RYM Structure of Oxidized M98K mutant of Amicyanin Deposited 2011-05-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 27–131（105 aa）	Mutation：M98K	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.01M zinc sulphate heptahydrate, 0.1M MES pH 6.5, 25% w/v PEG monomethylether 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.70 Å R-free 0.215
4P5R Structure of oxidized W45Y mutant of amicyanin Deposited 2014-03-19	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–131（105 aa） Fragment：UNP residues 27-131	Mutation：W45Y	CU COPPER (II) ION × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Initial crystals were obtained from Hampton research ammonium sulfate screen (HR2-211). Bigger crystals grown by macro-seeding using 3.2M Na/K phosphate solution.	Resolution 1.09 Å R-free 0.153

34 other PDB entries and 57 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	AMCY_PARDE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–105； UniProt 27–131

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	4p5s
Deposition date deposition_date	2014-03-19
Structure title title	Structure of reduced W45Y mutant of amicyanin
Keywords keywords	Type-I blue copper protein, Beta sandwich, Electron transport; ELECTRON TRANSPORT
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	13.79 Å
Radius of gyration Rg (electron density) rg_electron	12.47 Å
Forward intensity I(0) i0	2715190.00
Molecular weight molecular_weight	11527.0 kDa
Excluded volume excluded_volume	14428 Å³
Envelope volume envelope_volume	15362 Å³
Hydration-shell volume shell_volume	10525 Å³
Envelope diameter envelope_diameter	42.2 Å
Shell Rg shell_rg	18.25 Å
Envelope Rg envelope_rg	12.74 Å
Shape Rg shape_rg	12.44 Å
Total Rg total_rg	13.86 Å
Total atoms total_atoms	806
Residues n_residues	105
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	43.8 Å
Rg (real space) rg_real	13.69 Å
Rg uncertainty (real space) rg_real_error	0.19 Å
I(0) (real space) i0_real	2.7150e+06
I(0) uncertainty (real space) i0_real_error	2.7700e+04
Rg (reciprocal space) rg_reciprocal	13.70 Å
I(0) (reciprocal space) i0_reciprocal	2715000.0000
Solution quality estimate total_estimate	0.8942
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	42.7 Å
Skewness Skewness skewness	0.067
Kurtosis Kurtosis kurtosis	-0.442
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	454600.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.875; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.998

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Amicyanin
Molecular weight formula_weight	11482.1 kDa
Mutation mutation	W45Y
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	983

DKATIPSESPFAAAEVADGAIVVDIAKMKYETPELHVKVGDTVTYINREAMPHNVHFVAGVLGEAALKGPMMKKEQAYSLTFTEAGTYDYHCTPHPFMRGKVVVE

来源 Source

来源生物 organism	Paracoccus denitrificans
NCBI Class编号 ncbi_taxonomy_id	266
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	COPPER (I) ION
Molecular weight formula_weight	63.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	171

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d4p5sa_
Class class	b — All beta proteins
Fold Fold fold	b.6 — Cupredoxin-like
Superfamily Superfamily superfamily	b.6.1 — Cupredoxins
Family Family family	b.6.1.1 — Plastocyanin/azurin-like

CATH v4.4 (1 domains)

Domain ID domain_id	4p5sA00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	420 — Cupredoxins - blue copper proteins

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8. Citations (1)

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Unit-cell length a length_a	27.165 Å
Unit-cell length b length_b	56.646 Å
Unit-cell length c length_c	28.663 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	96.67 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	2

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	1.020 Å
Low-resolution limit resolution_low	28.000 Å
R factor r_factor	0.1350
R_work r_work	0.1340
R_free r_free	0.1500

fit	/app/data/saxs_computation/p5/4p5s/4p5s.fit
pddf	/app/data/pr_computation/p5/4p5s/4p5s.pr.out
profile	/app/data/saxs_computation/p5/4p5s/4p5s.dat