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2cla

CRYSTAL STRUCTURE OF THE ASP-199-ASN MUTANT OF CHLORAMPHENICOL ACETYLTRANSFERASE TO 2.35 ANGSTROMS RESOLUTION. STRUCTURAL CONSEQUENCES OF DISRUPTION OF A BURIED SALT-BRIDGE

Method: X-RAY DIFFRACTION Dmax: 69.5 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

CHLORAMPHENICOL ACETYLTRANSFERASE

Escherichia coli

UniProt P00484

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 × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain A； UniProt 1–213 Not recorded CO COBALT (II) ION × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions Resolution 2.35 Å
2 Protein homooligomer Homooligomer Protein × 6 PDB declaration: hexameric（6） Consistent with protein copy count Chain A； UniProt 1–213 Not recorded CO COBALT (II) ION × 12 X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions Resolution 2.35 Å

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 2CLA Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1CIA REPLACEMENT OF CATALYTIC HISTIDINE-195 OF CHLORAMPHENICOL ACETYLTRANSFERASE: EVIDENCE FOR A GENERAL BASE ROLE FOR GLUTAMATE Deposited 1993-07-19 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–213（213 aa）
Not recorded CO COBALT (II) ION × 6 BME BETA-MERCAPTOETHANOL × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1CIA REPLACEMENT OF CATALYTIC HISTIDINE-195 OF CHLORAMPHENICOL ACETYLTRANSFERASE: EVIDENCE FOR A GENERAL BASE ROLE FOR GLUTAMATE Deposited 1993-07-19 Different ligand/ion Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1–213（213 aa）
Not recorded CO COBALT (II) ION × 12 BME BETA-MERCAPTOETHANOL × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1CLA EVIDENCE FOR TRANSITION-STATE STABILIZATION BY SERINE-148 IN THE CATALYTIC MECHANISM OF CHLORAMPHENICOL ACETYLTRANSFERASE Deposited 1989-10-16 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–213（213 aa）
Not recorded CO COBALT (II) ION × 6 CLM CHLORAMPHENICOL × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.34 Å
1CLA EVIDENCE FOR TRANSITION-STATE STABILIZATION BY SERINE-148 IN THE CATALYTIC MECHANISM OF CHLORAMPHENICOL ACETYLTRANSFERASE Deposited 1989-10-16 Different ligand/ion Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1–213（213 aa）
Not recorded CO COBALT (II) ION × 12 CLM CHLORAMPHENICOL × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.34 Å
1QCA QUADRUPLE MUTANT Q92C, N146F, Y168F, I172V TYPE III CAT COMPLEXED WITH FUSIDIC ACID. CRYSTALS GROWN AT PH 6.3. X-RAY DATA COLLECTED AT ROOM TEMPERATURE Deposited 1995-08-03 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–213（213 aa）
Mutation：Q92C, N146F, Y168F, I172V CO COBALT (II) ION × 6 FUA FUSIDIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.3；pH 6.3
Resolution 2.20 Å
1QCA QUADRUPLE MUTANT Q92C, N146F, Y168F, I172V TYPE III CAT COMPLEXED WITH FUSIDIC ACID. CRYSTALS GROWN AT PH 6.3. X-RAY DATA COLLECTED AT ROOM TEMPERATURE Deposited 1995-08-03 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1–213（213 aa）
Mutation：Q92C, N146F, Y168F, I172V CO COBALT (II) ION × 12 FUA FUSIDIC ACID × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.3；pH 6.3
Resolution 2.20 Å
3CLA REFINED CRYSTAL STRUCTURE OF TYPE III CHLORAMPHENICOL ACETYLTRANSFERASE AT 1.75 ANGSTROMS RESOLUTION Deposited 1990-07-09 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–213（213 aa）
Not recorded CO COBALT (II) ION × 6 CLM CHLORAMPHENICOL × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.75 Å
3CLA REFINED CRYSTAL STRUCTURE OF TYPE III CHLORAMPHENICOL ACETYLTRANSFERASE AT 1.75 ANGSTROMS RESOLUTION Deposited 1990-07-09 Different ligand/ion Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1–213（213 aa）
Not recorded CO COBALT (II) ION × 12 CLM CHLORAMPHENICOL × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.75 Å
4CLA ALTERNATIVE BINDING MODES FOR CHLORAMPHENICOL AND 1-SUBSTITUTED CHLORAMPHENICOL ANALOGUES REVEALED BY SITE-DIRECTED MUTAGENESIS AND X-RAY CRYSTALLOGRAPHY OF CHLORAMPHENICOL ACETYLTRANSFERASE Deposited 1990-10-23 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–213（213 aa）
Not recorded CO COBALT (II) ION × 6 CLM CHLORAMPHENICOL × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
4CLA ALTERNATIVE BINDING MODES FOR CHLORAMPHENICOL AND 1-SUBSTITUTED CHLORAMPHENICOL ANALOGUES REVEALED BY SITE-DIRECTED MUTAGENESIS AND X-RAY CRYSTALLOGRAPHY OF CHLORAMPHENICOL ACETYLTRANSFERASE Deposited 1990-10-23 Different ligand/ion Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1–213（213 aa）
Not recorded CO COBALT (II) ION × 12 CLM CHLORAMPHENICOL × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
6X7Q Chloramphenicol acetyltransferase type III in complex with chloramphenicol and acetyl-oxa(dethia)-CoA Deposited 2020-05-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 2–213（212 aa）
Chain B 2–213（212 aa）
Chain C 2–213（212 aa）
Not recorded UTA acetyl-oxa(dethia)-CoA × 3 ZN ZINC ION × 2 PG4 TETRAETHYLENE GLYCOL × 1 CLM CHLORAMPHENICOL × 3 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；100 mM magnesium chloride, 100 mM sodium citrate:citric acid, pH 5.5, 46% PEG400
Resolution 1.68 Å R-free 0.201

6 other PDB entries and 11 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CAT3_ECOLI
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–213； UniProt 1–213

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 2cla

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id2cla
Deposition date deposition_date1990-04-05
Structure title titleCRYSTAL STRUCTURE OF THE ASP-199-ASN MUTANT OF CHLORAMPHENICOL ACETYLTRANSFERASE TO 2.35 ANGSTROMS RESOLUTION. STRUCTURAL CONSEQUENCES OF DISRUPTION OF A BURIED SALT-BRIDGE
Keywords keywordsTRANSFERASE (ACYLTRANSFERASE); TRANSFERASE (ACYLTRANSFERASE)
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_guinier18.57 Å
Radius of gyration Rg (electron density) rg_electron17.33 Å
Forward intensity I(0) i09501210.00
Molecular weight molecular_weight23345.0 kDa
Excluded volume excluded_volume29367 ų
Envelope volume envelope_volume34107 ų
Hydration-shell volume shell_volume16688 ų
Envelope diameter envelope_diameter57.4 Å
Shell Rg shell_rg23.16 Å
Envelope Rg envelope_rg17.55 Å
Shape Rg shape_rg17.33 Å
Total Rg total_rg18.30 Å
Total atoms total_atoms1646
Residues n_residues213
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 dmax69.5 Å
Rg (real space) rg_real18.47 Å
Rg uncertainty (real space) rg_real_error0.51 Å
I(0) (real space) i0_real9.5010e+06
I(0) uncertainty (real space) i0_real_error1.1890e+05
Rg (reciprocal space) rg_reciprocal18.48 Å
I(0) (reciprocal space) i0_reciprocal9501000.0000
Solution quality estimate total_estimate0.8288
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary23.8 Å
Skewness Skewness skewness0.156
Kurtosis Kurtosis kurtosis-0.421
Angular range angular_range— – 0.4300 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1813000.0000
Real-space data points n_real_points74
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.604; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.957; Smooth: 1.000
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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_idd2claa_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.43 — CoA-dependent acyltransferases
Superfamily Superfamily superfamilyc.43.1 — CoA-dependent acyltransferases
Family Family familyc.43.1.1 — CAT-like

CATH v4.4 (1 domains)

Domain ID domain_id2claA00
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology559 — Chloramphenicol Acetyltransferase
Homologous superfamily homologous superfamily10 — Chloramphenicol acetyltransferase-like domain
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8. Citations (6)

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9. Files and Curves (10)