3pq2

Structure of I274C variant of E. coli KatE[] - Images 1-6

Method: X-RAY DIFFRACTION Dmax: 134.2 Å Quality: GOOD

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

Catalase HPII

Escherichia coli

UniProt P21179

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 1–753 Chain B; UniProt 1–753 Chain C; UniProt 1–753 Chain D; UniProt 1–753 Mutation:I274C HDD CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE × 4 HDE CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE 17R, 18S × 4 H2S HYDROSULFURIC ACID × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 9;293 K;17% PEG3350, 1.6 M LiCl, 0.1 M Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K Resolution 1.79 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.

46 other PDB entries and 48 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CATE_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–753; UniProt 1–753 Author chain B; PDBConstruct 1–753; UniProt 1–753 Author chain C; PDBConstruct 1–753; UniProt 1–753 Author chain D; PDBConstruct 1–753; UniProt 1–753

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 3pq2

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3pq2
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3pq2
Deposition date deposition_date2010-11-25
Structure title titleStructure of I274C variant of E. coli KatE[] - Images 1-6
Keywords keywordscatalase, I274C variant, heme orientation, X-ray damage, OXIDOREDUCTASE; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier41.60
Radius of gyration Rg (electron density) rg_electron41.36
Forward intensity I(0) i01555690000.00
Molecular weight molecular_weight326720.0 kDa
Excluded volume excluded_volume408090 ų
Envelope volume envelope_volume480980 ų
Hydration-shell volume shell_volume90346 ų
Envelope diameter envelope_diameter145.7
Shell Rg shell_rg50.73
Envelope Rg envelope_rg41.82
Shape Rg shape_rg41.30
Total Rg total_rg41.92
Total atoms total_atoms23116
Residues n_residues2904
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 dmax134.2
Rg (real space) rg_real41.53
Rg uncertainty (real space) rg_real_error0.71
I(0) (real space) i0_real1.5560e+09
I(0) uncertainty (real space) i0_real_error2.7050e+07
Rg (reciprocal space) rg_reciprocal41.60
I(0) (reciprocal space) i0_reciprocal1556000000.0000
Solution quality estimate total_estimate0.8727
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary49.5
Skewness Skewness skewness0.371
Kurtosis Kurtosis kurtosis-0.178
Angular range angular_range— – 0.1900 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha668700000.0000
Real-space data points n_real_points39
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.847; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.821

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 20 domains

SCOP 2.08 (8 domains)

Domain ID domain_idd3pq2a1
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.5 — Heme-dependent catalase-like
Superfamily Superfamily superfamilye.5.1 — Heme-dependent catalase-like
Family Family familye.5.1.1 — Heme-dependent catalases
Domain ID domain_idd3pq2a2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.23 — Flavodoxin-like
Superfamily Superfamily superfamilyc.23.16 — Class I glutamine amidotransferase-like
Family Family familyc.23.16.0 — automated matches
Domain ID domain_idd3pq2b1
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.5 — Heme-dependent catalase-like
Superfamily Superfamily superfamilye.5.1 — Heme-dependent catalase-like
Family Family familye.5.1.1 — Heme-dependent catalases
Domain ID domain_idd3pq2b2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.23 — Flavodoxin-like
Superfamily Superfamily superfamilyc.23.16 — Class I glutamine amidotransferase-like
Family Family familyc.23.16.0 — automated matches
Domain ID domain_idd3pq2c1
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.5 — Heme-dependent catalase-like
Superfamily Superfamily superfamilye.5.1 — Heme-dependent catalase-like
Family Family familye.5.1.1 — Heme-dependent catalases
Domain ID domain_idd3pq2c2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.23 — Flavodoxin-like
Superfamily Superfamily superfamilyc.23.16 — Class I glutamine amidotransferase-like
Family Family familyc.23.16.0 — automated matches
Domain ID domain_idd3pq2d1
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.5 — Heme-dependent catalase-like
Superfamily Superfamily superfamilye.5.1 — Heme-dependent catalase-like
Family Family familye.5.1.1 — Heme-dependent catalases
Domain ID domain_idd3pq2d2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.23 — Flavodoxin-like
Superfamily Superfamily superfamilyc.23.16 — Class I glutamine amidotransferase-like
Family Family familyc.23.16.0 — automated matches

CATH v4.4 (12 domains)

Domain ID domain_id3pq2A01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology180 — Catalase HpII, Chain A, domain 1
Homologous superfamily homologous superfamily10 — Catalase core domain
Domain ID domain_id3pq2A02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1370 — Hemocyanin, N-terminal domain
Homologous superfamily homologous superfamily20 — Catalase, four-helical domain
Domain ID domain_id3pq2A03
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily880 — Class I glutamine amidotransferase (GATase) domain
Domain ID domain_id3pq2B01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology180 — Catalase HpII, Chain A, domain 1
Homologous superfamily homologous superfamily10 — Catalase core domain
Domain ID domain_id3pq2B02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1370 — Hemocyanin, N-terminal domain
Homologous superfamily homologous superfamily20 — Catalase, four-helical domain
Domain ID domain_id3pq2B03
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily880 — Class I glutamine amidotransferase (GATase) domain
Domain ID domain_id3pq2C01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology180 — Catalase HpII, Chain A, domain 1
Homologous superfamily homologous superfamily10 — Catalase core domain
Domain ID domain_id3pq2C02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1370 — Hemocyanin, N-terminal domain
Homologous superfamily homologous superfamily20 — Catalase, four-helical domain
Domain ID domain_id3pq2C03
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily880 — Class I glutamine amidotransferase (GATase) domain
Domain ID domain_id3pq2D01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology180 — Catalase HpII, Chain A, domain 1
Homologous superfamily homologous superfamily10 — Catalase core domain
Domain ID domain_id3pq2D02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1370 — Hemocyanin, N-terminal domain
Homologous superfamily homologous superfamily20 — Catalase, four-helical domain
Domain ID domain_id3pq2D03
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily880 — Class I glutamine amidotransferase (GATase) domain

8. Citations (1)

9. Files and Curves (10)