3fk7

Crystal structure of TetR triple mutant (H64K, S135L, S138I) in complex with 4-ddma-atc

Method: X-RAY DIFFRACTION Dmax: 72.8 Å Quality: GOOD

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

Tetracycline repressor protein class B from transposon Tn10, Tetracycline repressor protein class D

Escherichia coli

UniProt P04483

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 1–50 Chain B; UniProt 1–50 Fragment:DNA-binding domain (residues 1-50) and the effector-binding domain (residues 51-208) Mutation:H64K, S135L, S138I MG MAGNESIUM ION × 2 4DM (4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;292 K;1M dipotassium hydrogen phosphate, 200mM sodium chloride, 50mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K Resolution 2.06 Å R-free 0.261

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.

17 other PDB entries and 24 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TETR2_ECOLX
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–50; UniProt 1–50 Author chain B; PDBConstruct 1–50; UniProt 1–50

Tetracycline repressor protein class B from transposon Tn10, Tetracycline repressor protein class D

Escherichia coli

UniProt P0ACT4

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 51–208 Chain B; UniProt 51–208 Fragment:DNA-binding domain (residues 1-50) and the effector-binding domain (residues 51-208) Mutation:H64K, S135L, S138I MG MAGNESIUM ION × 2 4DM (4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;292 K;1M dipotassium hydrogen phosphate, 200mM sodium chloride, 50mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K Resolution 2.06 Å R-free 0.261

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.

45 other PDB entries and 51 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TETR4_ECOLX
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 51–208; UniProt 51–208 Author chain B; PDBConstruct 51–208; UniProt 51–208

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 3fk7

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3fk7
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id3fk7
Deposition date deposition_date2008-12-16
Structure title titleCrystal structure of TetR triple mutant (H64K, S135L, S138I) in complex with 4-ddma-atc
Keywords keywords;Tetracycline repressor, bacterial transcription regulation, altered inducer specificity, 4-de-dimethylamino-anhydrotetracycline, Antibiotic resistance, DNA-binding, Magnesium, Metal-binding, Repressor, Transcription, Transcription regulation, Transposable element ;; TRANSCRIPTION
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier22.91
Radius of gyration Rg (electron density) rg_electron21.92
Forward intensity I(0) i034229000.00
Molecular weight molecular_weight45500.0 kDa
Excluded volume excluded_volume57240 ų
Envelope volume envelope_volume67287 ų
Hydration-shell volume shell_volume25431 ų
Envelope diameter envelope_diameter74.5
Shell Rg shell_rg29.08
Envelope Rg envelope_rg22.19
Shape Rg shape_rg21.91
Total Rg total_rg22.81
Total atoms total_atoms3212
Residues n_residues397
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 dmax72.8
Rg (real space) rg_real22.81
Rg uncertainty (real space) rg_real_error0.37
I(0) (real space) i0_real3.4230e+07
I(0) uncertainty (real space) i0_real_error4.1610e+05
Rg (reciprocal space) rg_reciprocal22.83
I(0) (reciprocal space) i0_reciprocal34230000.0000
Solution quality estimate total_estimate0.8971
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.0
Skewness Skewness skewness0.234
Kurtosis Kurtosis kurtosis-0.371
Angular range angular_range— – 0.3450 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha9118000.0000
Real-space data points n_real_points66
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.890; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.992

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd3fk7a1
Class classa — All alpha proteins
Fold Fold folda.4 — DNA/RNA-binding 3-helical bundle
Superfamily Superfamily superfamilya.4.1 — Homeodomain-like
Family Family familya.4.1.9 — Tetracyclin repressor-like, N-terminal domain
Domain ID domain_idd3fk7a2
Class classa — All alpha proteins
Fold Fold folda.121 — Tetracyclin repressor-like, C-terminal domain
Superfamily Superfamily superfamilya.121.1 — Tetracyclin repressor-like, C-terminal domain
Family Family familya.121.1.1 — Tetracyclin repressor-like, C-terminal domain
Domain ID domain_idd3fk7b1
Class classa — All alpha proteins
Fold Fold folda.4 — DNA/RNA-binding 3-helical bundle
Superfamily Superfamily superfamilya.4.1 — Homeodomain-like
Family Family familya.4.1.9 — Tetracyclin repressor-like, N-terminal domain
Domain ID domain_idd3fk7b2
Class classa — All alpha proteins
Fold Fold folda.121 — Tetracyclin repressor-like, C-terminal domain
Superfamily Superfamily superfamilya.121.1 — Tetracyclin repressor-like, C-terminal domain
Family Family familya.121.1.1 — Tetracyclin repressor-like, C-terminal domain

CATH v4.4 (4 domains)

Domain ID domain_id3fk7A01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily60 — Homeodomain-like
Domain ID domain_id3fk7A02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology357 — Tetracycline Repressor; domain 2
Homologous superfamily homologous superfamily10 — Tetracycline Repressor, domain 2
Domain ID domain_id3fk7B01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily60 — Homeodomain-like
Domain ID domain_id3fk7B02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology357 — Tetracycline Repressor; domain 2
Homologous superfamily homologous superfamily10 — Tetracycline Repressor, domain 2

8. Citations (1)

9. Files and Curves (10)