当前蛋白身份：Q47066
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相关结构差异明细
一行代表一个 PDB 条目中的一个 biological assembly；同一蛋白的多个单体会分别列出。
| PDB 条目 | Assembly / 聚集状态 | 构建体 | 突变与修饰 | 配体、离子与非聚合物 | 实验方法 | 实验环境 | 结构质量 |
|---|---|---|---|---|---|---|---|
| 1BZA BETA-LACTAMASE TOHO-1 FROM ESCHERICHIA COLI TUH12191 提交 1998-10-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
33–290（258 aa）
|
突变：E166A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 4.5；pH 4.5
|
分辨率 1.80 Å R-free 0.217 |
| 1IYO Toho-1 beta-Lactamase In Complex With Cefotaxime 提交 2002-09-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
突变：E166A | SO4 SULFATE ION × 3 CEF CEFOTAXIME, C3' cleaved, open, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；300 K；ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
分辨率 1.80 Å R-free 0.206 |
| 1IYP Toho-1 beta-Lactamase In Complex With Cephalothin 提交 2002-09-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
突变：E166A | SO4 SULFATE ION × 3 CEP CEPHALOTHIN GROUP × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；300 K；ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
分辨率 2.00 Å R-free 0.245 |
| 1IYQ Toho-1 beta-Lactamase In Complex With Benzylpenicillin 提交 2002-09-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
突变：E166A | SO4 SULFATE ION × 3 PNM OPEN FORM - PENICILLIN G × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；300 K；ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
分辨率 2.10 Å R-free 0.227 |
| 1IYS Crystal Structure of Class A beta-Lactamase Toho-1 提交 2002-09-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
31–291（261 aa）
|
未记录 | SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；ammonium sulfate, sodium acetate, acetate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
分辨率 1.65 Å R-free 0.197 |
| 1WE4 Crystal Structure of Class A beta-Lactamase Toho-1 G238C mutant 提交 2004-05-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
突变：A26M, G238C | SO4 SULFATE ION × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；Ammonium sulfate, sodium acetate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.70 Å R-free 0.222 |
| 2WYX Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant 提交 2009-11-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
33–288（256 aa）
片段：RESIDUES 33-288
|
突变：YES | 未记录非水小分子 | NEUTRON DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 2.10 Å R-free 0.258 |
| 2XQZ Neutron structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase 提交 2010-09-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
32–291（260 aa）
片段：RESIDUES 32-291
|
突变：YES | 未记录非水小分子 | NEUTRON DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 2.10 Å R-free 0.259 |
| 2XR0 Room temperature X-ray structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase 提交 2010-09-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
32–291（260 aa）
片段：RESIDUES 32-291
|
突变：YES | SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；2.0 A AMMONIUM SULFATE, 0.1 M SODIUM CITRATE, PD 5.1. PREPARED IN 99.9% D2O AND MIXED 1:1 WITH PERDEUTERATED PROTEIN PREPARED IN 20 MM NA MES AT PD 6.1 (PH 6.5).
|
分辨率 2.20 Å R-free 0.173 |
| 2ZQ7 Apo structure of Class A beta-lactamase Toho-1 E166A/R274N/R276N triple mutant 提交 2008-08-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
突变：E166A, R274N, R276N | SO4 SULFATE ION × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；1.95-2.10M Ammonium sulfate, 0.2M sodium citrate, pH5.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 0.94 Å R-free 0.147 |
| 2ZQ8 Apo structure of class a beta-lactamase Toho-1 R274N/R276N double mutant 提交 2008-08-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
突变：R274N, R276N | SO4 SULFATE ION × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；1.95-2.10M ammonium sulfate, 0.2M sodium citrate, PH5.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.03 Å R-free 0.148 |
| 2ZQ9 Cephalothin acyl-intermediate structure of class a beta-lactamase Toho-1 E166A/R274N/R276N triple mutant 提交 2008-08-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
突变：E166A, R274N, R276N | SO4 SULFATE ION × 2 CEO 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID × 1 CLS CEPHALOTHIN × 1 SPA THIOPHENEACETIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；1.95-2.10M ammonium sulfate, 0.2M sodium citrate, PH5.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.07 Å R-free 0.146 |
| 2ZQA Cefotaxime acyl-intermediate structure of class a beta-lacta Toho-1 E166A/R274N/R276N triple mutant 提交 2008-08-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
突变：E166A, R274N, R276N | CEF CEFOTAXIME, C3' cleaved, open, bound form × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；1.95-2.10M ammonium sulfate, 0.2M sodium citrate, PH5.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 0.95 Å R-free 0.145 |
| 2ZQC Aztreonam acyl-intermediate structure of class a beta-lactam Toho-1 E166A/R274N/R276N triple mutant 提交 2008-08-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
突变：E166A, R274N, R276N | SO4 SULFATE ION × 4 AZR 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；1.95-2.10M ammonium sulfate, 0.2M sodium citrate, PH5.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.07 Å R-free 0.146 |
| 2ZQD Ceftazidime acyl-intermediate structure of class a beta-lact Toho-1 E166A/R274N/R276N triple mutant 提交 2008-08-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
突变：E166A, R274N, R276N | SO4 SULFATE ION × 4 CAZ ACYLATED CEFTAZIDIME × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；1.95-2.10M Ammonium sulfate, 0.2M sodium citrate, PH5.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.19 Å R-free 0.159 |
| 4BD0 X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) 提交 2012-10-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
31–291（261 aa）
片段：RESIDUES 32-291
|
突变：YES | BZB BENZO[B]THIOPHENE-2-BORONIC ACID × 1 SO4 SULFATE ION × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
293 K；2.0 M AMMONIUM SULFATE AND 0.1 M SODIUM CITRATE PD 5.1 PREPARED IN 99.9 PERCENT D2O AT 20 C
|
分辨率 1.21 Å R-free 0.133 |
| 4BD1 Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) 提交 2012-10-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
31–291（261 aa）
|
突变：YES | BZB BENZO[B]THIOPHENE-2-BORONIC ACID × 1 | NEUTRON DIFFRACTION |
X-ray结晶条件
pH 6.5；PH 6.5
|
分辨率 2.00 Å R-free 0.257 |
| 4C3Q Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K 提交 2013-08-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
31–291（261 aa）
|
突变：YES | BZB BENZO[B]THIOPHENE-2-BORONIC ACID × 1 | NEUTRON DIFFRACTION |
X-ray结晶条件
pH 5.6；PH 5.6
|
分辨率 2.20 Å R-free 0.240 |
| 4X69 Crystal structure of OP0595 complexed with CTX-M-44 提交 2014-12-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
未记录 | OP0 (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8；293 K；PEG 6000
|
分辨率 1.42 Å R-free 0.208 |
| 4X69 Crystal structure of OP0595 complexed with CTX-M-44 提交 2014-12-07 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
30–291（262 aa）
|
未记录 | OP0 (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8；293 K；PEG 6000
|
分辨率 1.42 Å R-free 0.208 |
| 5A91 15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography 提交 2015-07-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
30–291（262 aa）
|
突变：YES | SO4 SULFATE ION × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
293 K；300 ul of a 10 mg/ml protein concentration in a
solution containing 2.0 M ammonium sulfate and 0.1 M sodium citrate (pH 6.1) prepared in D 2 O.
|
分辨率 1.20 Å R-free 0.150 |
| 5KMW TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex 提交 2016-06-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
33–288（256 aa）
|
突变：E165A, R271N, R273N | SO4 SULFATE ION × 5 PNM OPEN FORM - PENICILLIN G × 1 PNN PENICILLIN G × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
BATCH MODE；pH 6.1；293.15 K；30 microliters of 10 mg/ml protein concentration was added to a solution containing 2.0 M ammonium sulfate and 0.1 M sodium citrate (pH 6.1). For ligand soaking, crystals were placed for 2-3 h in a reservoir solution containing 2.7 M ammonium sulfate, 0.1 M sodium citrate (pH 6.1), and 5.0 mM benzyl penicillin. The crystals were then placed momentarily in a reservoir solution containing a cryoprotectant (30% w/v trehalose) and subsequently flash-frozen in liquid nitrogen
|
分辨率 1.10 Å R-free 0.170 |
| 5KSC E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate 提交 2016-07-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
31–291（261 aa）
|
突变：E169A, R275N, R277N | AZR 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid × 1 | NEUTRON DIFFRACTION |
X-ray结晶条件
BATCH MODE；pH 6.1；293.15 K；300 microliters of a 10 mg/ml protein concentration in a solution containing 2.0 M ammonium sulfate and 0.1 M sodium citrate (pH 6.1) prepared in D2O.
|
分辨率 2.10 Å R-free 0.280 |
| 6C78 Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For Catalysis 提交 2018-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
32–291（260 aa）
片段：RESIDUES 32-291
|
未记录 | 未记录非水小分子 | NEUTRON DIFFRACTION |
X-ray结晶条件
BATCH MODE；pH 6.1；293 K；300 MICROLITERS OF A 10 MG/ML PROTEIN
CONCENTRATION IN A SOLUTION CONTAINING 2.0 M AMMONIUM SULFATE
AND 0.1 M PREPARED IN D2O, PH 6.1, BATCH MODE, TEMPERATURE 293K
|
分辨率 1.75 Å |
| 6C79 Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis 提交 2018-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
32–291（260 aa）
片段：residues 32-291
|
未记录 | CE3 (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
BATCH MODE；pH 6.1；293 K；10 mg/ml protein in a solution containing 2.0 M ammonium sulfate and 0.1 M sodium citrate (pH 6.1)
|
分辨率 1.10 Å R-free 0.164 |
| 6C7A Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis 提交 2018-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
32–291（260 aa）
片段：residues 32-291
|
未记录 | SO4 SULFATE ION × 9 | X-RAY DIFFRACTION |
X-ray结晶条件
BATCH MODE；pH 6.1；293 K；10 mg/ml protein in a solution containing 2.0 M ammonium sulfate and 0.1 M sodium citrate (pH 6.1)
|
分辨率 1.05 Å R-free 0.150 |