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1bn7

HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES

Method: X-RAY DIFFRACTION Dmax: 59.6 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

HALOALKANE DEHALOGENASE

Rhodococcus sp.

UniProt P59336

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 1–293 Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：pH 5.5；pH 5.50 Resolution 1.50 Å R-free 0.178

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 1BN7 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1BN6 HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES Deposited 1998-07-31 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–293（293 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7.0
Resolution 1.50 Å R-free 0.174
1CQW NAI COCRYSTALLISED WITH HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES Deposited 1999-08-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–293（290 aa）
Not recorded IOD IODIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；281 K；20-25% PEG 1.5K, 0.1M MES pH 5.5 0.3M NaAcetate, VAPOR DIFFUSION, HANGING DROP, temperature 281K
Resolution 1.50 Å R-free 0.188

2 other PDB entries and 2 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DHAA_RHOSD
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–293； UniProt 1–293

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 1bn7

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1bn7
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1bn7
Deposition date deposition_date1998-07-31
Structure title titleHALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES
Keywords keywordsDEHALOGENASE, ALPHA/BETA-HYDROLASE, DHLA, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier19.07 Å
Radius of gyration Rg (electron density) rg_electron17.63 Å
Forward intensity I(0) i017499100.00
Molecular weight molecular_weight33026.0 kDa
Excluded volume excluded_volume41722 ų
Envelope volume envelope_volume45614 ų
Hydration-shell volume shell_volume20830 ų
Envelope diameter envelope_diameter58.2 Å
Shell Rg shell_rg24.76 Å
Envelope Rg envelope_rg17.80 Å
Shape Rg shape_rg17.62 Å
Total Rg total_rg18.63 Å
Total atoms total_atoms2340
Residues n_residues291
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−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
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax59.6 Å
Rg (real space) rg_real18.89 Å
Rg uncertainty (real space) rg_real_error0.26 Å
I(0) (real space) i0_real1.7500e+07
I(0) uncertainty (real space) i0_real_error2.3590e+05
Rg (reciprocal space) rg_reciprocal18.92 Å
I(0) (reciprocal space) i0_reciprocal17500000.0000
Solution quality estimate total_estimate0.8837
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary25.7 Å
Skewness Skewness skewness0.022
Kurtosis Kurtosis kurtosis-0.480
Angular range angular_range— – 0.4150 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha7122000.0000
Real-space data points n_real_points73
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.846; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.970
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd1bn7a_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.69 — alpha/beta-Hydrolases
Superfamily Superfamily superfamilyc.69.1 — alpha/beta-Hydrolases
Family Family familyc.69.1.8 — Haloalkane dehalogenase

CATH v4.4 (1 domains)

Domain ID domain_id1bn7A00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1820 — Alpha/Beta hydrolase fold, catalytic domain
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8. Citations (1)

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9. Files and Curves (10)