6ifp

X-ray Crystal Structure of Pseudoazurin Met16Ile Variant

Method: X-RAY DIFFRACTION D_max: 64.5 Å Quality: REASONABLE

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

Pseudoazurin

Achromobacter cycloclastes

UniProt P19567

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 29–152	Fragment：UNP residues 29-152 Mutation：M16I	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M Tris-HCl, 35 % PEG4000	Resolution 1.00 Å R-free 0.144
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain C； UniProt 29–152	Fragment：UNP residues 29-152 Mutation：M16I	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M Tris-HCl, 35 % PEG4000	Resolution 1.00 Å R-free 0.144

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 6IFP	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1BQK OXIDIZED PSEUDOAZURIN Deposited 1998-08-17	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–152（124 aa）	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；pH 6.0	Resolution 1.35 Å R-free 0.190
1BQR REDUCED PSEUDOAZURIN Deposited 1998-08-17	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–152（124 aa）	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；pH 6.0	Resolution 1.60 Å R-free 0.211
1ZIA OXIDIZED PSEUDOAZURIN Deposited 1996-04-09	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–152（124 aa）	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.54 Å
1ZIB REDUCED PSEUDOAZURIN Deposited 1996-04-09	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–152（124 aa）	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
2JKW Pseudoazurin M16F Deposited 2008-09-01	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–152（124 aa）	Mutation：YES	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；5 MM TRIS PH 7.5, 35 % PEG 4000	Resolution 1.60 Å R-free 0.180
2JKW Pseudoazurin M16F Deposited 2008-09-01	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 29–152（124 aa）	Mutation：YES	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；5 MM TRIS PH 7.5, 35 % PEG 4000	Resolution 1.60 Å R-free 0.180
2UX6 Pseudoazurin with engineered amicyanin ligand loop, oxidized form, pH 7.5 Deposited 2007-03-27	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 29–109（81 aa） Chain A 114–152（39 aa）	Not recorded	CU COPPER (II) ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP VAPOR DIFFUSION METHOD, MIXING 1MICRO-L OF PROTEIN (20 MG/ML IN 50 MM TRIS/HCL, PH 7.5 PLUS 30 MM NACL) WITH 1 MICRO-L RESERVOIR SOLUTION (10 MM TRIS/HCL, PH 7.5 PLUS 2 M AMMONIUM SULFATE PLUS 2 M NACL).	Resolution 1.30 Å R-free 0.226
2UX7 Pseudoazurin with engineered amicyanin ligand loop, reduced form, pH 7.5 Deposited 2007-03-27	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 29–109（81 aa） Chain A 114–152（39 aa）	Not recorded	CU COPPER (II) ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP VAPOR DIFFUSION METHOD, 1 MICRO-L OF PROTEIN (20MG/ML IN 50 MM TRIS/HCL PLUS 30 MM NACL) WERE MIXED WITH 1 MICRO-L RESORVOIR SOLUTION (10 MM TRIS/HCL PLUS 2 M AMMONIUM SULFATE AND 2 M NACL). THE CRYSTALS WERE REDUCED BY ADDING 50 MM MERCAPTOETHANOL TO THE RESERVOIR SOLUTION AND BECAME COLORLESS AFTER 3 HOURS., pH 7.5	Resolution 1.30 Å R-free 0.201
2UXF Pseudoazurin with engineered amicyanin ligand loop, oxidized form, pH 5.5 Deposited 2007-03-28	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 29–109（81 aa） Chain A 114–152（39 aa）	Not recorded	CU COPPER (II) ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；HANGING DROP VAPOR DIFFUSION METHOD, 1 MICRO-L PROTEIN (20 MG/ML IN 100 MM MES, PH 5.5 PLUS 30 MM NACL) MIXED WITH 1 MICRO-L OF RESERVOIR SOLUTION (100 MM MES, PH 5.5 PLUS 2 M AMMONIUM SULFATE AND 2 M NACL)	Resolution 2.00 Å R-free 0.204
2UXG Pseudoazurin with engineered amicyanin ligand loop, reduced form, pH 5.5 Deposited 2007-03-28	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 29–109（81 aa） Chain A 114–152（39 aa）	Not recorded	CU COPPER (II) ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；HANGING DROP VAPOR DIFFUSION METHOD, 1 MICRO-LITER OF PROTEIN (20 MG/ML IN 100 MM MES, PH 5.5 PLUS 30 MM NACL) WAS MIXED WITH 1 MICO-L OF RESERVOIR SOLUTION (100 MM MES, PH 5.5 PLUS 2 M AMMONIUM SULFATE AND 2 M NACL). THE CRYSTALS WERE REDUCED BY ADDING 50 MM MERCAPTOETHANOL TO THE RESERVOIR SOLUTION AND BECAME COLORLESS AFTER 3 HOURS.	Resolution 1.99 Å R-free 0.230
4YL4 1.1 Angstrom resolution X-ray Crystallographic Structure of Psudoazurin Deposited 2015-03-05	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 29–152（124 aa）	Not recorded	CU COPPER (II) ION × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 4000, 0.1 M Tris, 0.1M magnesium chloride, 5% Glycerol	Resolution 1.10 Å R-free 0.186
5XMO X-ray crystal structure of Pseudoazurin Met16Phe/Thr36Lys variant Deposited 2017-05-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–152（124 aa）	Mutation：M16F, T36K	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；Buffer for crystallization: 0.1 M sodium acetate pH 4.5 Precipitant: 30 % PEG1500 Soaking (Cryoprotectant): 0.1 M Tris-HCl pH 7.5, 40 % PEG1500	Resolution 1.19 Å R-free 0.161
5Y23 X-ray crystal structure of Pseudoazurin Met16Phe variant Deposited 2017-07-23	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 29–152（124 aa）	Mutation：M16F	CU COPPER (II) ION × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；Drop: 100 mM Tris-HCl buffer, 15.5 % PEG4000, 31 mg/mL Protein Reservoir: 100 mM Tris-HCl buffer, 31 % PEG4000	Resolution 1.40 Å R-free 0.182
5Y23 X-ray crystal structure of Pseudoazurin Met16Phe variant Deposited 2017-07-23	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 29–152（124 aa）	Mutation：M16F	CU COPPER (II) ION × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；Drop: 100 mM Tris-HCl buffer, 15.5 % PEG4000, 31 mg/mL Protein Reservoir: 100 mM Tris-HCl buffer, 31 % PEG4000	Resolution 1.40 Å R-free 0.182
5YSG X-ray Crystal Structure of Pseudoazurin Met16Gly Variant, Reduced Form. Deposited 2017-11-14	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 29–152（124 aa）	Mutation：M16G	CU COPPER (II) ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；30 % PEG1000, 0.1 M Tris-HCl	Resolution 2.00 Å R-free 0.203
5YSG X-ray Crystal Structure of Pseudoazurin Met16Gly Variant, Reduced Form. Deposited 2017-11-14	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 29–152（124 aa）	Mutation：M16G	CU COPPER (II) ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；30 % PEG1000, 0.1 M Tris-HCl	Resolution 2.00 Å R-free 0.203
5YSG X-ray Crystal Structure of Pseudoazurin Met16Gly Variant, Reduced Form. Deposited 2017-11-14	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 29–152（124 aa）	Mutation：M16G	CU COPPER (II) ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；30 % PEG1000, 0.1 M Tris-HCl	Resolution 2.00 Å R-free 0.203
5YSG X-ray Crystal Structure of Pseudoazurin Met16Gly Variant, Reduced Form. Deposited 2017-11-14	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 29–152（124 aa）	Mutation：M16G	CU COPPER (II) ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；30 % PEG1000, 0.1 M Tris-HCl	Resolution 2.00 Å R-free 0.203
5YW3 X-ray Crystal Structure of Pseudoazurin Thr36Lys Variant Deposited 2017-11-28	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–152（124 aa）	Mutation：T36K	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM Tris-HCl, 38% PEG4000, 40mg/mL protein	Resolution 1.19 Å R-free 0.173
5YW3 X-ray Crystal Structure of Pseudoazurin Thr36Lys Variant Deposited 2017-11-28	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 29–152（124 aa）	Mutation：T36K	CU COPPER (II) ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM Tris-HCl, 38% PEG4000, 40mg/mL protein	Resolution 1.19 Å R-free 0.173
5YW3 X-ray Crystal Structure of Pseudoazurin Thr36Lys Variant Deposited 2017-11-28	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 29–152（124 aa）	Mutation：T36K	CU COPPER (II) ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM Tris-HCl, 38% PEG4000, 40mg/mL protein	Resolution 1.19 Å R-free 0.173
5YW3 X-ray Crystal Structure of Pseudoazurin Thr36Lys Variant Deposited 2017-11-28	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 29–152（124 aa）	Mutation：T36K	CU COPPER (II) ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM Tris-HCl, 38% PEG4000, 40mg/mL protein	Resolution 1.19 Å R-free 0.173
5Z0X X-ray Crystal Structure of Pseudoazurin Met16Tyr Variant Deposited 2017-12-22	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 29–152（124 aa）	Mutation：M16Y	CU COPPER (II) ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M Tris-HCl, 34% PEG4000, 45mg/mL Protein	Resolution 1.46 Å R-free 0.191
5Z0X X-ray Crystal Structure of Pseudoazurin Met16Tyr Variant Deposited 2017-12-22	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 29–152（124 aa）	Mutation：M16Y	CU COPPER (II) ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M Tris-HCl, 34% PEG4000, 45mg/mL Protein	Resolution 1.46 Å R-free 0.191
5ZTD X-ray Crystal Structure of Pseudoazurin Met16Val Variant Deposited 2018-05-02	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–152（124 aa） Fragment：UNP residues 29-152	Mutation：M16V	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；Reservoir: 0.1M Tris-HCl (pH 8.5), 27% PEG1000 Drop: 42mg/mL Met16Val Pseudoazurin, 0.1M Tris-HCl (pH 8.5), 13.5% PEG1000	Resolution 1.05 Å R-free 0.151
5ZTD X-ray Crystal Structure of Pseudoazurin Met16Val Variant Deposited 2018-05-02	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 29–152（124 aa） Fragment：UNP residues 29-152	Mutation：M16V	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；Reservoir: 0.1M Tris-HCl (pH 8.5), 27% PEG1000 Drop: 42mg/mL Met16Val Pseudoazurin, 0.1M Tris-HCl (pH 8.5), 13.5% PEG1000	Resolution 1.05 Å R-free 0.151
6AKN X-ray Crystal Structure of Pseudoazurin Met16Leu Variant Deposited 2018-09-03	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–152（124 aa） Fragment：UNP residues 29-152	Mutation：M16L	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M Tris-HCl (pH 7.5), 32 % PEG4000	Resolution 1.19 Å R-free 0.130
6AKN X-ray Crystal Structure of Pseudoazurin Met16Leu Variant Deposited 2018-09-03	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 29–152（124 aa） Fragment：UNP residues 29-152	Mutation：M16L	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M Tris-HCl (pH 7.5), 32 % PEG4000	Resolution 1.19 Å R-free 0.130
8HM9 X-ray Crystal Structure of Pseudoazurin Met16His Variant at pH 4.0 Deposited 2022-12-02	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–152（124 aa）	Mutation：M16H	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；31% PEG1500, 0.1 M potassium phosphate (pH 4.0)	Resolution 1.36 Å R-free 0.160
8HM9 X-ray Crystal Structure of Pseudoazurin Met16His Variant at pH 4.0 Deposited 2022-12-02	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 29–152（124 aa）	Mutation：M16H	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；31% PEG1500, 0.1 M potassium phosphate (pH 4.0)	Resolution 1.36 Å R-free 0.160
8WQZ X-ray Crystal Structure of Pseudoazurin Met16Gly variant Deposited 2023-10-12	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 29–152（124 aa）	Not recorded	CU COPPER (II) ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 42 %(w/v) PEG200	Resolution 1.20 Å R-free 0.153
9M62 X-ray Crystal Structure of Pseudoazurin Met16Arg variant, oxidized form at pH 7.0 Deposited 2025-03-06	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 29–152（124 aa）	Mutation：M16R	CU COPPER (II) ION × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；PEG1500, 100 mM potassium phosphate	Resolution 1.22 Å R-free 0.211
9M62 X-ray Crystal Structure of Pseudoazurin Met16Arg variant, oxidized form at pH 7.0 Deposited 2025-03-06	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 29–152（124 aa）	Mutation：M16R	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；PEG1500, 100 mM potassium phosphate	Resolution 1.22 Å R-free 0.211

20 other PDB entries and 33 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	AZUP_ACHCY
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–124； UniProt 29–152 Author chain C； PDBConstruct 1–124； UniProt 29–152

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	6ifp
Deposition date deposition_date	2018-09-20
Structure title title	X-ray Crystal Structure of Pseudoazurin Met16Ile Variant
Keywords keywords	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	19.88 Å
Radius of gyration Rg (electron density) rg_electron	19.19 Å
Forward intensity I(0) i0	12063900.00
Molecular weight molecular_weight	25994.0 kDa
Excluded volume excluded_volume	32577 Å³
Envelope volume envelope_volume	37994 Å³
Hydration-shell volume shell_volume	17076 Å³
Envelope diameter envelope_diameter	66.3 Å
Shell Rg shell_rg	24.46 Å
Envelope Rg envelope_rg	19.09 Å
Shape Rg shape_rg	19.19 Å
Total Rg total_rg	19.98 Å
Total atoms total_atoms	3641
Residues n_residues	247
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	64.5 Å
Rg (real space) rg_real	19.85 Å
Rg uncertainty (real space) rg_real_error	0.52 Å
I(0) (real space) i0_real	1.2060e+07
I(0) uncertainty (real space) i0_real_error	1.8950e+05
Rg (reciprocal space) rg_reciprocal	19.86 Å
I(0) (reciprocal space) i0_reciprocal	12060000.0000
Solution quality estimate total_estimate	0.6451
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	59.0 Å
Skewness Skewness skewness	0.282
Kurtosis Kurtosis kurtosis	-0.480
Angular range angular_range	— – 0.4000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1832000.0000
Real-space data points n_real_points	72
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 0.975; Sysdev: 0.338; Positv: 1.000; Valcen: 0.980; Smooth: 0.000

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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	Pseudoazurin
Molecular weight formula_weight	13014.9 kDa
Mutation mutation	M16I
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C
Atom count atom_count	4474

ADFEVHMLNKGKDGAIVFEPASLKVAPGDTVTFIPTDKGHNVETIKGMIPDGAEAFKSKINENYKVTFTAPGVYGVKCTPHYGMGMVGVVQVGDAPANLEAVKGAKNPKKAQERLDAALAALGN

来源 Source

来源生物 organism	Achromobacter cycloclastes
NCBI Class编号 ncbi_taxonomy_id	223
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	COPPER (II) ION
Molecular weight formula_weight	63.5 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	546

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d6ifpa_
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

Domain ID domain_id	d6ifpc_
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 (2 domains)

Domain ID domain_id	6ifpA00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	420 — Cupredoxins - blue copper proteins

Domain ID domain_id	6ifpC00
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	33.956 Å
Unit-cell length b length_b	60.183 Å
Unit-cell length c length_c	47.988 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	96.16 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

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

Resolution resolution	1.000 Å
Low-resolution limit resolution_low	30.000 Å
R factor r_factor	—
R_work r_work	0.1103
R_free r_free	0.1436

fit	/app/data/saxs_computation/if/6ifp/6ifp.fit
pddf	/app/data/pr_computation/if/6ifp/6ifp.pr.out
profile	/app/data/saxs_computation/if/6ifp/6ifp.dat