3c78

0.98 A crystal structure of nitrophorin 4 from Rhodnius prolixus containing FE(III) 2,4 dimethyl deuteroporphyrin ix complexed with ammonia at ph 7.5

Method: X-RAY DIFFRACTION Dmax: 52.6 Å Quality: GOOD

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

Nitrophorin-4

Rhodnius prolixus

UniProt Q94734

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 X; UniProt 22–205 Not recorded NH3 AMMONIA × 1 FDD FE(III) 2,4-DIMETHYL DEUTEROPORPHYRIN IX × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;300 K;AMMONIUM PHOSPHATE, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 300.0K Resolution 0.98 Å R-free 0.189

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.

47 other PDB entries and 50 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NP4_RHOPR
Isoform
PDB entities 1
Chains and sequence ranges Author chain X; PDBConstruct 1–184; UniProt 22–205

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 3c78

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3c78
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3c78
Deposition date deposition_date2008-02-06
Structure title title0.98 A crystal structure of nitrophorin 4 from Rhodnius prolixus containing FE(III) 2,4 dimethyl deuteroporphyrin ix complexed with ammonia at ph 7.5
Keywords keywords;LIPOCALIN, BETA BARREL, FERRIC, HEME ANALOG, FE(III) 2, 4 DIMETHYL DEUTEROPORPHYRIN IX, TRANSPORT PROTEIN, Iron, Metal-binding, Secreted, Vasoactive, Vasodilator ;; TRANSPORT PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier16.54
Radius of gyration Rg (electron density) rg_electron15.09
Forward intensity I(0) i08129310.00
Molecular weight molecular_weight20875.0 kDa
Excluded volume excluded_volume26109 ų
Envelope volume envelope_volume28947 ų
Hydration-shell volume shell_volume15642 ų
Envelope diameter envelope_diameter48.1
Shell Rg shell_rg21.53
Envelope Rg envelope_rg15.43
Shape Rg shape_rg15.04
Total Rg total_rg16.38
Total atoms total_atoms1470
Residues n_residues184
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 dmax52.6
Rg (real space) rg_real16.37
Rg uncertainty (real space) rg_real_error0.27
I(0) (real space) i0_real8.1290e+06
I(0) uncertainty (real space) i0_real_error9.4840e+04
Rg (reciprocal space) rg_reciprocal16.39
I(0) (reciprocal space) i0_reciprocal8129000.0000
Solution quality estimate total_estimate0.8013
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary22.5
Skewness Skewness skewness0.016
Kurtosis Kurtosis kurtosis-0.453
Angular range angular_range— – 0.4800 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3766000.0000
Real-space data points n_real_points78
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.811; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd3c78x_
Class classb — All beta proteins
Fold Fold foldb.60 — Lipocalins
Superfamily Superfamily superfamilyb.60.1 — Lipocalins
Family Family familyb.60.1.1 — Retinol binding protein-like

CATH v4.4 (1 domains)

Domain ID domain_id3c78X00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology128 — Lipocalin
Homologous superfamily homologous superfamily20 — Calycin beta-barrel core domain

8. Citations (1)

9. Files and Curves (10)