7qlp

Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution

Method: X-RAY DIFFRACTION Dmax: 130.1 Å Quality: GOOD

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

Beta-lactamase TEM

Escherichia coli

UniProt P62593

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 24–286 Mutation:V84I TBE TAZOBACTAM INTERMEDIATE × 1 ACT ACETATE ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;277 K;PEG-4000, 0.2 M calcium acetate, 0.1 M Tris-HCl, pH 7.5. Resolution 2.30 Å R-free 0.217
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 24–286 Mutation:V84I No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;277 K;PEG-4000, 0.2 M calcium acetate, 0.1 M Tris-HCl, pH 7.5. Resolution 2.30 Å R-free 0.217
3 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain C; UniProt 24–286 Mutation:V84I TBE TAZOBACTAM INTERMEDIATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;277 K;PEG-4000, 0.2 M calcium acetate, 0.1 M Tris-HCl, pH 7.5. Resolution 2.30 Å R-free 0.217
4 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain D; UniProt 24–286 Mutation:V84I TBE TAZOBACTAM INTERMEDIATE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;277 K;PEG-4000, 0.2 M calcium acetate, 0.1 M Tris-HCl, pH 7.5. Resolution 2.30 Å R-free 0.217
5 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain E; UniProt 24–286 Mutation:V84I TBE TAZOBACTAM INTERMEDIATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;277 K;PEG-4000, 0.2 M calcium acetate, 0.1 M Tris-HCl, pH 7.5. Resolution 2.30 Å R-free 0.217
6 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain F; UniProt 24–286 Mutation:V84I No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;277 K;PEG-4000, 0.2 M calcium acetate, 0.1 M Tris-HCl, pH 7.5. Resolution 2.30 Å R-free 0.217

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.

72 other PDB entries and 150 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name BLAT_ECOLX
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–263; UniProt 24–286 Author chain B; PDBConstruct 1–263; UniProt 24–286 Author chain C; PDBConstruct 1–263; UniProt 24–286 Author chain D; PDBConstruct 1–263; UniProt 24–286 Author chain E; PDBConstruct 1–263; UniProt 24–286 Author chain F; PDBConstruct 1–263; UniProt 24–286

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 7qlp

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7qlp
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7qlp
Deposition date deposition_date2021-12-20
Structure title titleStructure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution
Keywords keywordsBETA-LACTAMASE, BETA-LACTAMASE INHIBITOR, HYDROLASE-INHIBITOR COMPLEX, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier41.95
Radius of gyration Rg (electron density) rg_electron41.29
Forward intensity I(0) i0478070000.00
Molecular weight molecular_weight174940.0 kDa
Excluded volume excluded_volume217760 ų
Envelope volume envelope_volume298890 ų
Hydration-shell volume shell_volume61282 ų
Envelope diameter envelope_diameter141.1
Shell Rg shell_rg46.07
Envelope Rg envelope_rg39.94
Shape Rg shape_rg41.30
Total Rg total_rg41.52
Total atoms total_atoms12264
Residues n_residues1578
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 dmax130.1
Rg (real space) rg_real41.79
Rg uncertainty (real space) rg_real_error0.95
I(0) (real space) i0_real4.7810e+08
I(0) uncertainty (real space) i0_real_error8.5850e+06
Rg (reciprocal space) rg_reciprocal41.94
I(0) (reciprocal space) i0_reciprocal478100000.0000
Solution quality estimate total_estimate0.8729
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary54.8
Skewness Skewness skewness0.163
Kurtosis Kurtosis kurtosis-0.332
Angular range angular_range— – 0.1900 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha39470000.0000
Real-space data points n_real_points39
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.867; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.755

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

Domain ID domain_id7qlpA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology710 — Beta-lactamase
Homologous superfamily homologous superfamily10 — DD-peptidase/beta-lactamase superfamily
Domain ID domain_id7qlpB01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology710 — Beta-lactamase
Homologous superfamily homologous superfamily10 — DD-peptidase/beta-lactamase superfamily
Domain ID domain_id7qlpC01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology710 — Beta-lactamase
Homologous superfamily homologous superfamily10 — DD-peptidase/beta-lactamase superfamily
Domain ID domain_id7qlpD01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology710 — Beta-lactamase
Homologous superfamily homologous superfamily10 — DD-peptidase/beta-lactamase superfamily
Domain ID domain_id7qlpE01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology710 — Beta-lactamase
Homologous superfamily homologous superfamily10 — DD-peptidase/beta-lactamase superfamily
Domain ID domain_id7qlpF01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology710 — Beta-lactamase
Homologous superfamily homologous superfamily10 — DD-peptidase/beta-lactamase superfamily

8. Citations (1)

9. Files and Curves (10)