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4rx3

A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis

Method: X-RAY DIFFRACTION Dmax: 60.0 Å Quality: GOOD
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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 Fragment：TEM-1 beta-lactamase Mutation：S70G/W165Y/E166Y/P167G FLC CITRATE ANION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.24M citrate, 25% w/v PEG 4,000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.39 Å R-free 0.194

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 4RX3 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1AXB TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI INHIBITED WITH AN ACYLATION TRANSITION STATE ANALOG Deposited 1997-10-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：VARIANT V84I, A184V FOS [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.8；BUFFER NA/K-PHOSPHATE 20MM PH 7.8 AMMONIUM SULFATE 45% SATURATION (4 DEGREES) ACETONE 4% (V/V) PROTEIN 14.5 MG/ML
Resolution 2.00 Å R-free 0.206
1BT5 CRYSTAL STRUCTURE OF THE IMIPENEM INHIBITED TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI Deposited 1998-09-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：V82I, A182V SO4 SULFATE ION × 8 IM2 (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.8；pH 7.8
Resolution 1.80 Å R-free 0.238
1BTL CRYSTAL STRUCTURE OF ESCHERICHIA COLI TEM1 BETA-LACTAMASE AT 1.8 ANGSTROMS RESOLUTION Deposited 1993-11-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å
1CK3 N276D MUTANT OF ESCHERICHIA COLI TEM-1 BETA-LACTAMASE Deposited 1999-04-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：V84I, A184V, N276D No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.8；pH 7.80
Resolution 2.28 Å R-free 0.235
1ERM X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHANE BORONIC ACID Deposited 2000-04-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) BJI 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.70 Å
1ERO X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID Deposited 2000-04-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Not recorded BJP (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.10 Å
1ERQ X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID Deposited 2000-04-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Not recorded BJH 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.90 Å
1ESU S235A MUTANT OF TEM1 BETA-LACTAMASE Deposited 2000-04-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：S235A SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；Imidazole 0.1M pH7.0, ammonium sulfate 43 to 48%, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å
1FQG MOLECULAR STRUCTURE OF THE ACYL-ENZYME INTERMEDIATE IN TEM-1 BETA-LACTAMASE Deposited 2000-09-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：GLU166ASN MUTATION PNM OPEN FORM - PENICILLIN G × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.4M sodium potassium phosphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å
1JTD Crystal structure of beta-lactamase inhibitor protein-II in complex with TEM-1 beta-lactamase Deposited 2001-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 24–286（263 aa）
Not recorded CA CALCIUM ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；293 K；PEG8000, calcium acetate, sodium cacodylate, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.230
1JTG CRYSTAL STRUCTURE OF TEM-1 BETA-LACTAMASE / BETA-LACTAMASE INHIBITOR PROTEIN COMPLEX Deposited 2001-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 24–286（263 aa）
Mutation：I84V,V184A CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.8；pH 8.8
Resolution 1.73 Å R-free 0.205
1JTG CRYSTAL STRUCTURE OF TEM-1 BETA-LACTAMASE / BETA-LACTAMASE INHIBITOR PROTEIN COMPLEX Deposited 2001-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 24–286（263 aa）
Mutation：I84V,V184A CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.8；pH 8.8
Resolution 1.73 Å R-free 0.205
1JVJ CRYSTAL STRUCTURE OF N132A MUTANT OF TEM-1 BETA-LACTAMASE IN COMPLEX WITH A N-FORMIMIDOYL-THIENAMYCINE Deposited 2001-08-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa） Fragment：TEM-1
Mutation：N132A K POTASSIUM ION × 5 IM2 (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；sodium-potassium Phospate buffer, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 1.73 Å R-free 0.193
1JWP Structure of M182T mutant of TEM-1 beta-lactamase Deposited 2001-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa） Fragment：TEM-1
Mutation：M182T PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；sodium-potassium phosphate buffer, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 1.75 Å R-free 0.220
1JWV Crystal structure of G238A mutant of TEM-1 beta-lactamase in complex with a boronic acid inhibitor (sefb4) Deposited 2001-09-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa） Fragment：TEM-1
Mutation：G238A K POTASSIUM ION × 5 CB4 PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；sodium-potassium phosphate buffer, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 1.85 Å R-free 0.203
1JWZ Crystal structure of TEM-64 beta-lactamase in complex with a boronic acid inhibitor (105) Deposited 2001-09-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa） Fragment：TEM-64
Mutation：E104K/M182T/R164S 105 N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；sodium-potassium phosphate buffer, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 1.80 Å R-free 0.189
1LHY Crystal structure of TEM-30 beta-Lactamase at 2.0 Angstrom Deposited 2002-04-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：R241S PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；sodium-potassium buffer, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 2.00 Å R-free 0.212
1LI0 Crystal structure of TEM-32 beta-Lactamase at 1.6 Angstrom Deposited 2002-04-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M69I, M182T BCT BICARBONATE ION × 1 K POTASSIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；sodium-potassium buffer, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 1.61 Å R-free 0.217
1LI9 Crystal structure of TEM-34 beta-Lactamase at 1.5 Angstrom Deposited 2002-04-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M69V PO4 PHOSPHATE ION × 2 K POTASSIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；sodium-potassium buffer, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 1.52 Å R-free 0.189
1M40 ULTRA HIGH RESOLUTION CRYSTAL STRUCTURE OF TEM-1 Deposited 2002-07-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M182T PO4 PHOSPHATE ION × 3 K POTASSIUM ION × 4 CB4 PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；sodium-potassium buffer, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 0.85 Å R-free 0.112
1NXY Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2) Deposited 2003-02-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M182T K POTASSIUM ION × 1 SM2 (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；295 K；sodium-potassium buffer, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 1.60 Å R-free 0.196
1NY0 Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (NBF) Deposited 2003-02-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M182T PO4 PHOSPHATE ION × 1 K POTASSIUM ION × 1 NBF [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；295 K；sodium-potassium buffer , pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 1.75 Å R-free 0.198
1NYM Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (CXB) Deposited 2003-02-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M182T K POTASSIUM ION × 3 PO4 PHOSPHATE ION × 2 CXB [(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；295 K；sodium-potassium buffer, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.20 Å R-free 0.148
1NYY Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (105) Deposited 2003-02-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M182T 105 N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；295 K；sodium-potassium buffer , pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 1.90 Å R-free 0.230
1PZO TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor Deposited 2003-07-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M182T CBT N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；295 K；potassium phosphate buffer, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.90 Å R-free 0.247
1PZP TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor Deposited 2003-07-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：R100N FTA 3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；295 K；potassium phosphate buffer, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.45 Å R-free 0.245
1TEM 6 ALPHA HYDROXYMETHYL PENICILLOIC ACID ACYLATED ON THE TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI Deposited 1996-05-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Not recorded ALP 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.8；pH 7.8
Resolution 1.95 Å R-free 0.202
1XPB STRUCTURE OF BETA-LACTAMASE TEM1 Deposited 1997-01-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.158
1XXM The modular architecture of protein-protein binding site Deposited 2004-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 24–286（263 aa）
Mutation：E104A; Y105A CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 5；298 K；LiCl; sodium Acetate; PEG 6000, pH 5., Microbatch, temperature 298K
Resolution 1.90 Å R-free 0.247
1XXM The modular architecture of protein-protein binding site Deposited 2004-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 24–286（263 aa）
Mutation：E104A; Y105A CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 5；298 K；LiCl; sodium Acetate; PEG 6000, pH 5., Microbatch, temperature 298K
Resolution 1.90 Å R-free 0.247
1YT4 Crystal structure of TEM-76 beta-lactamase at 1.4 Angstrom resolution Deposited 2005-02-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa） Fragment：TEM
Mutation：S130G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；296 K；sodium potassium phosphate, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 1.40 Å R-free 0.223
1ZG4 TEM1 beta lactamase Deposited 2005-04-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–286（286 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.55 Å R-free 0.240
1ZG6 TEM1 beta lactamase mutant S70G Deposited 2005-04-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–286（286 aa）
Mutation：S70G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.275
2B5R 1B Lactamase / B Lactamase Inhibitor Deposited 2005-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 24–286（263 aa）
Mutation：V84I, E104Y, Y105N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；298 K；PEG 3350, NH4 Acetate, pH 8.5, Microbatch, temperature 298K
Resolution 1.65 Å R-free 0.222
2B5R 1B Lactamase / B Lactamase Inhibitor Deposited 2005-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 24–286（263 aa）
Mutation：V84I, E104Y, Y105N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；298 K；PEG 3350, NH4 Acetate, pH 8.5, Microbatch, temperature 298K
Resolution 1.65 Å R-free 0.222
2V1Z Structure of a TEM-1 beta-lactamase insertant allosterically regulated by kanamycin and anions. Deposited 2007-05-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 25–38（14 aa） Fragment：RESIDUES 25-38,41-286
Chain A 41–286（246 aa） Fragment：RESIDUES 25-38,41-286
Mutation：YES Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；RESERVOIR: BIS-TRIS 0.1M PH6.2, PEG6000 25%(W/V), NACL 0.3M, NAN3 0.02%(W/V). HANGING DROP: 1UL PROTEIN AND 1 UL RESERVOIR
Resolution 1.60 Å R-free 0.206
2V20 Structure of a TEM-1 beta-lactamase insertant allosterically regulated by kanamycin and anions. Complex with sulfate. Deposited 2007-05-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 25–38（14 aa） Fragment：RESIDUES 25-38,41-286
Chain A 41–286（246 aa） Fragment：RESIDUES 25-38,41-286
Mutation：YES Mutation：YES ZN ZINC ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；RESERVOIR: MES 0.1M PH 6.5, PEG5000MME 30%(W/V), AMMONIUM SULFATE 0.2M. DROP: 0.5UL PROTEIN SOLUTION AND 0.5 UL RESERVOIR
Resolution 1.67 Å R-free 0.223
3CMZ TEM-1 Class-A beta-lactamase L201P mutant apo structure Deposited 2008-03-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：L201P PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.6M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.92 Å R-free 0.242
3JYI Structural and biochemical evidence that a TEM-1 {beta}-lactamase Asn170Gly active site mutant acts via substrate-assisted catalysis Deposited 2009-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：N170G EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG6000, 0.2 M LiCl, 0.1 M Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.260
3JYI Structural and biochemical evidence that a TEM-1 {beta}-lactamase Asn170Gly active site mutant acts via substrate-assisted catalysis Deposited 2009-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：N170G EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG6000, 0.2 M LiCl, 0.1 M Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.260
3JYI Structural and biochemical evidence that a TEM-1 {beta}-lactamase Asn170Gly active site mutant acts via substrate-assisted catalysis Deposited 2009-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：N170G EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG6000, 0.2 M LiCl, 0.1 M Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.260
3JYI Structural and biochemical evidence that a TEM-1 {beta}-lactamase Asn170Gly active site mutant acts via substrate-assisted catalysis Deposited 2009-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：N170G EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG6000, 0.2 M LiCl, 0.1 M Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.260
3JYI Structural and biochemical evidence that a TEM-1 {beta}-lactamase Asn170Gly active site mutant acts via substrate-assisted catalysis Deposited 2009-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 24–286（263 aa）
Mutation：N170G EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG6000, 0.2 M LiCl, 0.1 M Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.260
3JYI Structural and biochemical evidence that a TEM-1 {beta}-lactamase Asn170Gly active site mutant acts via substrate-assisted catalysis Deposited 2009-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 24–286（263 aa）
Mutation：N170G EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG6000, 0.2 M LiCl, 0.1 M Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.70 Å R-free 0.260
4DXB 2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 space group Deposited 2012-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 227–286（60 aa） Fragment：SEE REMARK 999
Chain A 24–226（203 aa） Fragment：SEE REMARK 999
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；A 1.0 uL drop was prepared using 0.5 uL protein mixture (13.8 mg/mL RG13, 2.5 mM zinc chloride) and 0.5 uL reservoir solution (0.2 M ammonium acetate, 0.1 M Tris, pH 8.5-9.5, 15-30% PEG3350) and equilibrated over a 1 ml reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.29 Å R-free 0.292
4DXB 2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 space group Deposited 2012-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 227–286（60 aa） Fragment：SEE REMARK 999
Chain B 24–226（203 aa） Fragment：SEE REMARK 999
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；A 1.0 uL drop was prepared using 0.5 uL protein mixture (13.8 mg/mL RG13, 2.5 mM zinc chloride) and 0.5 uL reservoir solution (0.2 M ammonium acetate, 0.1 M Tris, pH 8.5-9.5, 15-30% PEG3350) and equilibrated over a 1 ml reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.29 Å R-free 0.292
4DXC Crystal structure of the engineered MBP TEM-1 fusion protein RG13, C2 space group Deposited 2012-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 227–286（60 aa） Fragment：SEE REMARK 999
Chain A 24–226（203 aa） Fragment：SEE REMARK 999
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；A 1.0 uL drop was prepared using 0.5 uL protein mixture (13.8 mg/mL RG13, 2.5 mM zinc chloride) and 0.5 uL reservoir solution (0.2 M ammonium acetate, 0.1 M Tris, pH 8.5-9.5, 15-30% PEG3350) and equilibrated over a 1 ml reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.291
4GKU Crystal structure of beta lactamase in PET-15B Deposited 2012-08-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；0.2M magnesium chloride, 0.1M BIS-Tris, 25% PEG 3350, pH 6.5, VAPOR DIFFUSION, temperature 293K
Resolution 1.92 Å R-free 0.197
4IBR Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S/E104K mutations Deposited 2012-12-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：A41G, N51A, R119G, M181T, L200A, T262M, G237S, E103K CA CALCIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；11% (wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES buffer pH 6.7, 200mM Ca(OAc)2 and 10 M ZnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.247
4IBR Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S/E104K mutations Deposited 2012-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 24–286（263 aa）
Mutation：A41G, N51A, R119G, M181T, L200A, T262M, G237S, E103K CA CALCIUM ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；11% (wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES buffer pH 6.7, 200mM Ca(OAc)2 and 10 M ZnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.247
4IBX Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 Deposited 2012-12-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：A42G, N52A, I84V, R120G, M182T, L201A, T265M CA CALCIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；9%(wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES pH 6.2, and 200mM Ca(OAc)2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.68 Å R-free 0.265
4IBX Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 Deposited 2012-12-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：A42G, N52A, I84V, R120G, M182T, L201A, T265M MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；9%(wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES pH 6.2, and 200mM Ca(OAc)2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.68 Å R-free 0.265
4IBX Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 Deposited 2012-12-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：A42G, N52A, I84V, R120G, M182T, L201A, T265M CA CALCIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；9%(wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES pH 6.2, and 200mM Ca(OAc)2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.68 Å R-free 0.265
4IBX Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 Deposited 2012-12-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：A42G, N52A, I84V, R120G, M182T, L201A, T265M MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；9%(wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES pH 6.2, and 200mM Ca(OAc)2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.68 Å R-free 0.265
4IBX Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 Deposited 2012-12-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 24–286（263 aa）
Mutation：A42G, N52A, I84V, R120G, M182T, L201A, T265M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；9%(wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES pH 6.2, and 200mM Ca(OAc)2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.68 Å R-free 0.265
4ID4 Crystal structure of chimeric beta-lactamase cTEM-17m Deposited 2012-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–147（124 aa）
Chain A 189–286（98 aa）
Not recorded CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；26% PEG 4000, 0.25M magnesium chloride, 0.1M TrisHCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.05 Å R-free 0.138
4MEZ Crystal structure of M68L/M69T double mutant TEM-1 Deposited 2013-08-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M66L, M67T CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295.15 K；1.5M ammonium sulfate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K
Resolution 2.05 Å R-free 0.248
4MEZ Crystal structure of M68L/M69T double mutant TEM-1 Deposited 2013-08-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M66L, M67T CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295.15 K；1.5M ammonium sulfate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K
Resolution 2.05 Å R-free 0.248
4QY5 Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations Deposited 2014-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–65（42 aa）
Chain A 68–147（80 aa）
Chain A 189–286（98 aa）
Not recorded CL CHLORIDE ION × 4 MG MAGNESIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；30% PEG 4000, 0.2M magnesium chloride, 0.1M TrisHCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 1.50 Å R-free 0.161
4QY6 Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations Deposited 2014-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–65（42 aa）
Chain A 68–147（80 aa）
Chain A 189–286（98 aa）
Not recorded CL CHLORIDE ION × 6 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；30% PEG 4000, 0.2M magnesium chloride, 0.1M TrisHCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.15 Å R-free 0.139
4R4R Crystal structure of chimeric beta-lactamase cTEM-19m at 1.2 angstrom resolution Deposited 2014-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–65（42 aa）
Chain A 68–147（80 aa）
Chain A 189–286（98 aa）
Not recorded CL CHLORIDE ION × 4 MG MAGNESIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；30% PEG 4000, 0.2M magnesium chloride, 0.1M TrisHCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.20 Å R-free 0.138
4R4S Crystal structure of chimeric beta-lactamase cTEM-19m at 1.1 angstrom resolution Deposited 2014-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–65（42 aa）
Chain A 68–147（80 aa）
Chain A 189–286（98 aa）
Not recorded CL CHLORIDE ION × 5 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；30% PEG 4000, 0.2M magnesium chloride, 0.1M TrisHCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.10 Å R-free 0.128
4RVA A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for deacylation Deposited 2014-11-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa） Fragment：TEM-1
Mutation：W165Y/E166Y/P167G/L201P BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；20% PEG 3350, 0.2M sodium citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.44 Å R-free 0.194
4RX2 A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis Deposited 2014-12-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa） Fragment：TEM-1 beta-lactamase
Mutation：W165Y/E166Y/P167G/M182T SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M HEPES pH6.5, 30% W/V PEG 6,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.31 Å R-free 0.268
4RX2 A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis Deposited 2014-12-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa） Fragment：TEM-1 beta-lactamase
Mutation：W165Y/E166Y/P167G/M182T SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M HEPES pH6.5, 30% W/V PEG 6,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.31 Å R-free 0.268
4RX2 A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis Deposited 2014-12-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa） Fragment：TEM-1 beta-lactamase
Mutation：W165Y/E166Y/P167G/M182T SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M HEPES pH6.5, 30% W/V PEG 6,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.31 Å R-free 0.268
4RX2 A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis Deposited 2014-12-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa） Fragment：TEM-1 beta-lactamase
Mutation：W165Y/E166Y/P167G/M182T SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M HEPES pH6.5, 30% W/V PEG 6,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.31 Å R-free 0.268
4RX2 A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis Deposited 2014-12-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 24–286（263 aa） Fragment：TEM-1 beta-lactamase
Mutation：W165Y/E166Y/P167G/M182T SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M HEPES pH6.5, 30% W/V PEG 6,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.31 Å R-free 0.268
4RX2 A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis Deposited 2014-12-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 24–286（263 aa） Fragment：TEM-1 beta-lactamase
Mutation：W165Y/E166Y/P167G/M182T SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M HEPES pH6.5, 30% W/V PEG 6,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.31 Å R-free 0.268
4RX2 A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis Deposited 2014-12-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 24–286（263 aa） Fragment：TEM-1 beta-lactamase
Mutation：W165Y/E166Y/P167G/M182T SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M HEPES pH6.5, 30% W/V PEG 6,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.31 Å R-free 0.268
4RX2 A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis Deposited 2014-12-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 24–286（263 aa） Fragment：TEM-1 beta-lactamase
Mutation：W165Y/E166Y/P167G/M182T SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M HEPES pH6.5, 30% W/V PEG 6,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.31 Å R-free 0.268
4ZJ1 Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant Deposited 2015-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–286（286 aa）
Mutation：V216AcrF Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；0.1M 2-(N-morpholino) ethanesulfonic acid (MES) pH 6.5, 15% PEG 20.000 and 15% PEG 550MME
Resolution 1.54 Å R-free 0.170
4ZJ2 Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli :E166N mutant Deposited 2015-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–286（286 aa）
Mutation：E166N Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；0.1M 2-(N-morpholino) ethanesulfonic acid (MES) pH 6.5, 15% PEG 20.000 and 15% PEG 550MME
Resolution 1.80 Å R-free 0.209
4ZJ3 Crystal structure of cephalexin bound acyl-enzyme intermediate of Val216AcrF mutant TEM1 beta-lactamase from Escherichia coli: E166N and V216AcrF mutant. Deposited 2015-04-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–286（286 aa）
Mutation：E166N,V216AcrF Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；0.1M 2-(N-morpholino) ethanesulfonic acid (MES) pH 6.5, 15% PEG 20.000 and 15% PEG 550MME
Resolution 1.70 Å R-free 0.188
5HVI Crystal structure of TEM1 beta-lactamase Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M180T No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.64 Å R-free 0.206
5HVI Crystal structure of TEM1 beta-lactamase Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M180T No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.64 Å R-free 0.206
5HVI Crystal structure of TEM1 beta-lactamase Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M180T No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.64 Å R-free 0.206
5HVI Crystal structure of TEM1 beta-lactamase Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M180T No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.64 Å R-free 0.206
5HW1 Crystal structure of TEM1 beta-lactamase in the presence of 1.2 MPa xenon Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M180T XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.70 Å R-free 0.190
5HW1 Crystal structure of TEM1 beta-lactamase in the presence of 1.2 MPa xenon Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M180T XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.70 Å R-free 0.190
5HW1 Crystal structure of TEM1 beta-lactamase in the presence of 1.2 MPa xenon Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M180T XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.70 Å R-free 0.190
5HW1 Crystal structure of TEM1 beta-lactamase in the presence of 1.2 MPa xenon Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M180T XE XENON × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.70 Å R-free 0.190
5HW5 Crystal structure of TEM1 beta-lactamase in the presence of 2.0 MPa xenon Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M180T XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.41 Å R-free 0.221
5HW5 Crystal structure of TEM1 beta-lactamase in the presence of 2.0 MPa xenon Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M180T XE XENON × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.41 Å R-free 0.221
5HW5 Crystal structure of TEM1 beta-lactamase in the presence of 2.0 MPa xenon Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M180T XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.41 Å R-free 0.221
5HW5 Crystal structure of TEM1 beta-lactamase in the presence of 2.0 MPa xenon Deposited 2016-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M180T XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.41 Å R-free 0.221
5I52 Crystal structure of TEM1 beta-lactamase mutant I263N Deposited 2016-02-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M180T, I259N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.2 M sodium formate (pH 7.0), 20% (w/v) PEG 3350
Resolution 1.75 Å R-free 0.218
5I52 Crystal structure of TEM1 beta-lactamase mutant I263N Deposited 2016-02-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M180T, I259N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.2 M sodium formate (pH 7.0), 20% (w/v) PEG 3350
Resolution 1.75 Å R-free 0.218
5I52 Crystal structure of TEM1 beta-lactamase mutant I263N Deposited 2016-02-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M180T, I259N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.2 M sodium formate (pH 7.0), 20% (w/v) PEG 3350
Resolution 1.75 Å R-free 0.218
5I52 Crystal structure of TEM1 beta-lactamase mutant I263N Deposited 2016-02-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M180T, I259N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.2 M sodium formate (pH 7.0), 20% (w/v) PEG 3350
Resolution 1.75 Å R-free 0.218
5I63 Crystal structure of TEM1 beta-lactamase mutant I263N in the presence of 1.2 MPa xenon Deposited 2016-02-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M180T, I259N XE XENON × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；0.2 M sodium formate (pH 7.0), 20% (w/v) PEG 3350
Resolution 1.95 Å R-free 0.222
5I63 Crystal structure of TEM1 beta-lactamase mutant I263N in the presence of 1.2 MPa xenon Deposited 2016-02-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M180T, I259N XE XENON × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；0.2 M sodium formate (pH 7.0), 20% (w/v) PEG 3350
Resolution 1.95 Å R-free 0.222
5I63 Crystal structure of TEM1 beta-lactamase mutant I263N in the presence of 1.2 MPa xenon Deposited 2016-02-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M180T, I259N XE XENON × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；0.2 M sodium formate (pH 7.0), 20% (w/v) PEG 3350
Resolution 1.95 Å R-free 0.222
5I63 Crystal structure of TEM1 beta-lactamase mutant I263N in the presence of 1.2 MPa xenon Deposited 2016-02-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M180T, I259N XE XENON × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；0.2 M sodium formate (pH 7.0), 20% (w/v) PEG 3350
Resolution 1.95 Å R-free 0.222
5IQ8 Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide Deposited 2016-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M180T, A222C, G279C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.2 M ammonium tartrate dibasic (pH 7.0), 20% (w/v) PEG 3350
Resolution 2.06 Å R-free 0.241
5IQ8 Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide Deposited 2016-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M180T, A222C, G279C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.2 M ammonium tartrate dibasic (pH 7.0), 20% (w/v) PEG 3350
Resolution 2.06 Å R-free 0.241
5IQ8 Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide Deposited 2016-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M180T, A222C, G279C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.2 M ammonium tartrate dibasic (pH 7.0), 20% (w/v) PEG 3350
Resolution 2.06 Å R-free 0.241
5IQ8 Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide Deposited 2016-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M180T, A222C, G279C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.2 M ammonium tartrate dibasic (pH 7.0), 20% (w/v) PEG 3350
Resolution 2.06 Å R-free 0.241
5KKF Crystal structure of TEM1 beta-lactamase mutant I263L Deposited 2016-06-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M180T, I259L No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M BIS-TRIS (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.82 Å R-free 0.227
5KKF Crystal structure of TEM1 beta-lactamase mutant I263L Deposited 2016-06-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M180T, I259L No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M BIS-TRIS (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.82 Å R-free 0.227
5KKF Crystal structure of TEM1 beta-lactamase mutant I263L Deposited 2016-06-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M180T, I259L No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M BIS-TRIS (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.82 Å R-free 0.227
5KKF Crystal structure of TEM1 beta-lactamase mutant I263L Deposited 2016-06-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M180T, I259L No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M BIS-TRIS (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.82 Å R-free 0.227
5KPU Crystal structure of TEM1 beta-lactamase mutant I263L in the presence of 1.2 MPa xenon Deposited 2016-07-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M182T, I263L XE XENON × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M BIS-TRIS (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.50 Å R-free 0.193
5KPU Crystal structure of TEM1 beta-lactamase mutant I263L in the presence of 1.2 MPa xenon Deposited 2016-07-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M182T, I263L XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M BIS-TRIS (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.50 Å R-free 0.193
5KPU Crystal structure of TEM1 beta-lactamase mutant I263L in the presence of 1.2 MPa xenon Deposited 2016-07-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M182T, I263L XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M BIS-TRIS (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.50 Å R-free 0.193
5KPU Crystal structure of TEM1 beta-lactamase mutant I263L in the presence of 1.2 MPa xenon Deposited 2016-07-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M182T, I263L XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2% (v/v) tacsimate (pH 6.0), 0.1 M BIS-TRIS (pH 6.5), 20% (w/v) PEG 3350
Resolution 1.50 Å R-free 0.193
5NPO Promiscuous Protein Self-Assembly as a Function of Protein Stability Deposited 2017-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 24–286（263 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；292 K；7.5% PEG 6000, 0.1M MgCl2 and 0.05M Sodium acetate pH=5.5
Resolution 1.95 Å R-free 0.256
6APA Crystal structure of TEM1 beta-lactamase mutant I263A Deposited 2017-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182T, I263A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；2% v/v tacsimate, pH 6.0, 0.1 M Bis-Tris, pH 6.5, 20% w/v PEG3350
Resolution 1.86 Å R-free 0.249
6APA Crystal structure of TEM1 beta-lactamase mutant I263A Deposited 2017-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182T, I263A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；2% v/v tacsimate, pH 6.0, 0.1 M Bis-Tris, pH 6.5, 20% w/v PEG3350
Resolution 1.86 Å R-free 0.249
6APA Crystal structure of TEM1 beta-lactamase mutant I263A Deposited 2017-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182T, I263A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；2% v/v tacsimate, pH 6.0, 0.1 M Bis-Tris, pH 6.5, 20% w/v PEG3350
Resolution 1.86 Å R-free 0.249
6APA Crystal structure of TEM1 beta-lactamase mutant I263A Deposited 2017-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182T, I263A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；2% v/v tacsimate, pH 6.0, 0.1 M Bis-Tris, pH 6.5, 20% w/v PEG3350
Resolution 1.86 Å R-free 0.249
6AYK Crystal structure of TEM1 beta-lactamase mutant I263A in the presence of 1.2 MPa xenon Deposited 2017-09-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182T, I263A XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；2% v/v Tacsimate, pH 6.0, 0.1 M Bis-Tris, pH 6.5, 20% w/v PEG3350
Resolution 1.44 Å R-free 0.219
6AYK Crystal structure of TEM1 beta-lactamase mutant I263A in the presence of 1.2 MPa xenon Deposited 2017-09-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182T, I263A XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；2% v/v Tacsimate, pH 6.0, 0.1 M Bis-Tris, pH 6.5, 20% w/v PEG3350
Resolution 1.44 Å R-free 0.219
6AYK Crystal structure of TEM1 beta-lactamase mutant I263A in the presence of 1.2 MPa xenon Deposited 2017-09-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182T, I263A XE XENON × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；2% v/v Tacsimate, pH 6.0, 0.1 M Bis-Tris, pH 6.5, 20% w/v PEG3350
Resolution 1.44 Å R-free 0.219
6AYK Crystal structure of TEM1 beta-lactamase mutant I263A in the presence of 1.2 MPa xenon Deposited 2017-09-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182T, I263A XE XENON × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；2% v/v Tacsimate, pH 6.0, 0.1 M Bis-Tris, pH 6.5, 20% w/v PEG3350
Resolution 1.44 Å R-free 0.219
6B2N Crystal structure of TEM-1 beta-lactamase mutant M182N Deposited 2017-09-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium phosphate dibasic/citric acid, pH 4.2, 0.1 M lithium sulfate, 20% PEG1000
Resolution 2.00 Å R-free 0.283
6B2N Crystal structure of TEM-1 beta-lactamase mutant M182N Deposited 2017-09-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182N SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium phosphate dibasic/citric acid, pH 4.2, 0.1 M lithium sulfate, 20% PEG1000
Resolution 2.00 Å R-free 0.283
6B2N Crystal structure of TEM-1 beta-lactamase mutant M182N Deposited 2017-09-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182N SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium phosphate dibasic/citric acid, pH 4.2, 0.1 M lithium sulfate, 20% PEG1000
Resolution 2.00 Å R-free 0.283
6B2N Crystal structure of TEM-1 beta-lactamase mutant M182N Deposited 2017-09-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa） Fragment：UNP residues 24-286
Mutation：M182N SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium phosphate dibasic/citric acid, pH 4.2, 0.1 M lithium sulfate, 20% PEG1000
Resolution 2.00 Å R-free 0.283
7QLP Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution Deposited 2021-12-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
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
7QLP Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution Deposited 2021-12-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：V84I No recorded non-water small molecule 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
7QLP Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution Deposited 2021-12-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
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
7QLP Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution Deposited 2021-12-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
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
7QLP Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution Deposited 2021-12-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 24–286（263 aa）
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
7QLP Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution Deposited 2021-12-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 24–286（263 aa）
Mutation：V84I No recorded non-water small molecule 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
7QNK Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution Deposited 2021-12-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：V84I TBE TAZOBACTAM INTERMEDIATE × 1 ACT ACETATE ION × 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 2.50 Å R-free 0.248
7QNK Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution Deposited 2021-12-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
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 2.50 Å R-free 0.248
7QNK Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution Deposited 2021-12-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
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 2.50 Å R-free 0.248
7QNK Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution Deposited 2021-12-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：V84I TBE TAZOBACTAM INTERMEDIATE × 1 ACT ACETATE ION × 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 2.50 Å R-free 0.248
7QNK Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution Deposited 2021-12-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 24–286（263 aa）
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 2.50 Å R-free 0.248
7QNK Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution Deposited 2021-12-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 24–286（263 aa）
Mutation：V84I No recorded non-water small molecule 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 2.50 Å R-free 0.248
7QOR Structure of beta-lactamase TEM-171 Deposited 2021-12-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 24–286（263 aa）
Mutation：V84I EDO 1,2-ETHANEDIOL × 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 2.00 Å R-free 0.211
7QOR Structure of beta-lactamase TEM-171 Deposited 2021-12-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 24–286（263 aa）
Mutation：V84I No recorded non-water small molecule 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 2.00 Å R-free 0.211
7QOR Structure of beta-lactamase TEM-171 Deposited 2021-12-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain CCC 24–286（263 aa）
Mutation：V84I EDO 1,2-ETHANEDIOL × 2 ACT ACETATE ION × 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 2.00 Å R-free 0.211
7QOR Structure of beta-lactamase TEM-171 Deposited 2021-12-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain DDD 24–286（263 aa）
Mutation：V84I ACT ACETATE ION × 2 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 2.00 Å R-free 0.211
7QOR Structure of beta-lactamase TEM-171 Deposited 2021-12-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain EEE 24–286（263 aa）
Mutation：V84I No recorded non-water small molecule 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 2.00 Å R-free 0.211
7QOR Structure of beta-lactamase TEM-171 Deposited 2021-12-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain FFF 24–286（263 aa）
Mutation：V84I No recorded non-water small molecule 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 2.00 Å R-free 0.211
8DDZ TEM-1 beta-lactamase A237Y Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M182T, A237Y No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG 3350, 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES)
Resolution 1.45 Å R-free 0.212
8DDZ TEM-1 beta-lactamase A237Y Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M182T, A237Y No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG 3350, 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES)
Resolution 1.45 Å R-free 0.212
8DDZ TEM-1 beta-lactamase A237Y Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M182T, A237Y No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG 3350, 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES)
Resolution 1.45 Å R-free 0.212
8DDZ TEM-1 beta-lactamase A237Y Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M182T, A237Y No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG 3350, 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES)
Resolution 1.45 Å R-free 0.212
8DE0 TEM-1 beta-lactamase covalently bound to avibactam Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M182T NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 1.72 Å R-free 0.198
8DE0 TEM-1 beta-lactamase covalently bound to avibactam Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M182T NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 1.72 Å R-free 0.198
8DE0 TEM-1 beta-lactamase covalently bound to avibactam Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M182T NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 1.72 Å R-free 0.198
8DE0 TEM-1 beta-lactamase covalently bound to avibactam Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M182T NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 1.72 Å R-free 0.198
8DE1 TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M182T A237Y NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 1.56 Å R-free 0.221
8DE1 TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M182T A237Y NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 1.56 Å R-free 0.221
8DE1 TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M182T A237Y NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 1.56 Å R-free 0.221
8DE1 TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M182T A237Y NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 1.56 Å R-free 0.221
8DE2 TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam, a room temperature structure Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–286（263 aa）
Mutation：M182T, A237Y NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES(4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 2.45 Å R-free 0.249
8DE2 TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam, a room temperature structure Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 24–286（263 aa）
Mutation：M182T, A237Y NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES(4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 2.45 Å R-free 0.249
8DE2 TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam, a room temperature structure Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 24–286（263 aa）
Mutation：M182T, A237Y NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES(4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 2.45 Å R-free 0.249
8DE2 TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam, a room temperature structure Deposited 2022-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 24–286（263 aa）
Mutation：M182T, A237Y NXL (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350, HEPES(4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
Resolution 2.45 Å R-free 0.249
9Q0C TEM-1 WT in complex with BLIP E73W Deposited 2025-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 24–286（263 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.1 M magnesium chloride, 0.1 M sodium acetate pH 4.6, 25% (w/v) PEG 400
Resolution 1.78 Å R-free 0.215
9Q0C TEM-1 WT in complex with BLIP E73W Deposited 2025-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 24–286（263 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.1 M magnesium chloride, 0.1 M sodium acetate pH 4.6, 25% (w/v) PEG 400
Resolution 1.78 Å R-free 0.215

72 other PDB entries and 155 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

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 4rx3

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4rx3
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4rx3
Deposition date deposition_date2014-12-08
Structure title titleA triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis
Keywords keywordsglobular, beta-lactamase, 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_guinier18.88 Å
Radius of gyration Rg (electron density) rg_electron17.66 Å
Forward intensity I(0) i015495600.00
Molecular weight molecular_weight29031.0 kDa
Excluded volume excluded_volume36132 ų
Envelope volume envelope_volume40508 ų
Hydration-shell volume shell_volume18923 ų
Envelope diameter envelope_diameter60.5 Å
Shell Rg shell_rg24.15 Å
Envelope Rg envelope_rg17.93 Å
Shape Rg shape_rg17.69 Å
Total Rg total_rg18.51 Å
Total atoms total_atoms2036
Residues n_residues263
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 dmax60.0 Å
Rg (real space) rg_real18.76 Å
Rg uncertainty (real space) rg_real_error0.42 Å
I(0) (real space) i0_real1.5500e+07
I(0) uncertainty (real space) i0_real_error1.9910e+05
Rg (reciprocal space) rg_reciprocal18.78 Å
I(0) (reciprocal space) i0_reciprocal15500000.0000
Solution quality estimate total_estimate0.8133
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary24.2 Å
Skewness Skewness skewness0.154
Kurtosis Kurtosis kurtosis-0.414
Angular range angular_range— – 0.4200 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3195000.0000
Real-space data points n_real_points73
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.862; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.000
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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_idd4rx3a_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.3 — beta-lactamase/transpeptidase-like
Superfamily Superfamily superfamilye.3.1 — beta-lactamase/transpeptidase-like
Family Family familye.3.1.1 — beta-Lactamase/D-ala carboxypeptidase

CATH v4.4 (1 domains)

Domain ID domain_id4rx3A00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology710 — Beta-lactamase
Homologous superfamily homologous superfamily10 — DD-peptidase/beta-lactamase superfamily
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8. Citations (1)

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9. Files and Curves (10)