2fnw

Pseudomonas aeruginosa E2Q/H83Q/M109H-azurin RE(PHEN)(CO)3

Method: X-RAY DIFFRACTION Dmax: 79.6 Å Quality: GOOD

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

Azurin

Pseudomonas aeruginosa

UniProt P00282

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 17–45 Mutation:E2Q/H83Q/M109H CU COPPER (II) ION × 1 REP (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I) × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7;298 K;20% PEG molecular weight 4000, 100 mM LiNO3 and 100 mM imidazole pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.40 Å R-free 0.227
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 17–45 Mutation:E2Q/H83Q/M109H CU COPPER (II) ION × 1 REP (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I) × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7;298 K;20% PEG molecular weight 4000, 100 mM LiNO3 and 100 mM imidazole pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.40 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.

110 other PDB entries and 269 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name AZUR_PSEAE
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–128; UniProt 17–45 Author chain B; PDBConstruct 1–128; UniProt 17–45

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

SAXS profile for 2fnw

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2fnw
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2fnw
Deposition date deposition_date2006-01-11
Structure title titlePseudomonas aeruginosa E2Q/H83Q/M109H-azurin RE(PHEN)(CO)3
Keywords keywordsBLUE-COPPER, ELECTRON-TRANSFER, RHENIUM, INFRARED SPECTROSCOPY, METAL BINDING PROTEIN; METAL BINDING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.39
Radius of gyration Rg (electron density) rg_electron21.18
Forward intensity I(0) i016327600.00
Molecular weight molecular_weight28804.0 kDa
Excluded volume excluded_volume35173 ų
Envelope volume envelope_volume40451 ų
Hydration-shell volume shell_volume17259 ų
Envelope diameter envelope_diameter81.4
Shell Rg shell_rg26.51
Envelope Rg envelope_rg21.78
Shape Rg shape_rg21.17
Total Rg total_rg21.93
Total atoms total_atoms1987
Residues n_residues256
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

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

Maximum dimension Dmax dmax79.6
Rg (real space) rg_real21.65
Rg uncertainty (real space) rg_real_error0.65
I(0) (real space) i0_real1.6330e+07
I(0) uncertainty (real space) i0_real_error2.0590e+05
Rg (reciprocal space) rg_reciprocal21.60
I(0) (reciprocal space) i0_reciprocal16330000.0000
Solution quality estimate total_estimate0.7713
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary22.2
Skewness Skewness skewness0.684
Kurtosis Kurtosis kurtosis0.156
Angular range angular_range— – 0.3700 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3071000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.499; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.595; Smooth: 0.931

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd2fnwa_
Class classb — All beta proteins
Fold Fold foldb.6 — Cupredoxin-like
Superfamily Superfamily superfamilyb.6.1 — Cupredoxins
Family Family familyb.6.1.1 — Plastocyanin/azurin-like
Domain ID domain_idd2fnwb_
Class classb — All beta proteins
Fold Fold foldb.6 — Cupredoxin-like
Superfamily Superfamily superfamilyb.6.1 — Cupredoxins
Family Family familyb.6.1.1 — Plastocyanin/azurin-like

CATH v4.4 (2 domains)

Domain ID domain_id2fnwA00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily420 — Cupredoxins - blue copper proteins
Domain ID domain_id2fnwB00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily420 — Cupredoxins - blue copper proteins

8. Citations (1)

9. Files and Curves (10)