2bc2

METALLO BETA-LACTAMASE II FROM BACILLUS CEREUS 569/H/9 AT PH 6.0, TRIGONAL CRYSTAL FORM

Method: X-RAY DIFFRACTION D_max: 84.1 Å Quality: GOOD

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

METALLO BETA-LACTAMASE II

物种未注明

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 31–257	非标准单体：是（mmCIF未提供具体位点）	ZN ZINC ION × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件：pH 6；pH 6.0	分辨率 1.70 Å R-free 0.251
2	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 B； UniProt 31–257	非标准单体：是（mmCIF未提供具体位点）	ZN ZINC ION × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件：pH 6；pH 6.0	分辨率 1.70 Å R-free 0.251
3	蛋白同源多聚体同源多聚体蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 B； UniProt 31–257	非标准单体：是（mmCIF未提供具体位点）	ZN ZINC ION × 2 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件：pH 6；pH 6.0	分辨率 1.70 Å R-free 0.251

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 2BC2	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
1BC2 ZN-DEPENDENT METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS 提交 1997-04-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 31–257（227 aa）链 B 31–257（227 aa）	未记录	ZN ZINC ION × 4 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；HANGING DROP METHOD. PROTEIN WAS DISSOLVED IN 10MM TRIS PH7, 1MM ZINC SULPHATE. WELL SOLUTION CONTAINED 100MM TRIS-HCL PH4.5, 75% AMMONIUM SULPHATE. 6UL DROPS WERE MADE WITH 3UL PROTEIN SOLUTION 50% DILUTED (WATER) WELL SOLUTION., vapor diffusion - hanging drop	分辨率 1.90 Å R-free 0.279
1BMC STRUCTURE OF A ZINC METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS 提交 1995-06-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 37–257（221 aa）	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.50 Å R-free 0.330
1BVT METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS 569/H/9 提交 1998-09-18	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	未记录	ZN ZINC ION × 2 BCT BICARBONATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.6；SEE IN ACTA CRYSTALLOG PAPER, pH 5.6	分辨率 1.85 Å R-free 0.269
1DXK Metallo-beta-lactamase from Bacillus cereus 569/H/9 C168S mutant 提交 2000-01-10	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	突变：YES	ZN ZINC ION × 1 BCT BICARBONATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.6；pH 5.60	分辨率 1.85 Å R-free 0.261
1MQO Metallo-beta-lactamase BcII Cd substituted from Bacillus cereus at 1.35 angstroms resolution 提交 2002-09-17	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	未记录	CD CADMIUM ION × 3 CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；281.15 K；13%PEG 8K, 10mM sodium citrate, 100 microM DTT, 100mM MES buffer 4.9, and 1mM CdSO4, VAPOR DIFFUSION, HANGING DROP, temperature 281.15K	分辨率 1.35 Å R-free 0.248
2BFK Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent 提交 2004-12-07	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–49（19 aa）链 A 50–67（18 aa）链 A 68–102（35 aa）链 A 103–108（6 aa）链 A 109–131（23 aa）链 A 132–149（18 aa）链 A 150–188（39 aa）链 A 189–191（3 aa）链 A 192–242（51 aa）链 A 243–257（15 aa）	突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES	AZI AZIDE ION × 1 GOL GLYCEROL × 10 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., pH 7.00	分辨率 2.00 Å R-free 0.208
2BFK Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent 提交 2004-12-07	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 31–49（19 aa）链 B 50–67（18 aa）链 B 68–102（35 aa）链 B 103–108（6 aa）链 B 109–131（23 aa）链 B 132–149（18 aa）链 B 150–188（39 aa）链 B 189–191（3 aa）链 B 192–242（51 aa）链 B 243–257（15 aa）	突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES	AZI AZIDE ION × 1 GOL GLYCEROL × 6 ZN ZINC ION × 2 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., pH 7.00	分辨率 2.00 Å R-free 0.208
2BFL Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent. 提交 2004-12-08	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	突变：YES	GOL GLYCEROL × 4 ZN ZINC ION × 2 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., pH 5.00	分辨率 1.80 Å R-free 0.202
2BFL Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent. 提交 2004-12-08	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 31–257（227 aa）	突变：YES	GOL GLYCEROL × 6 ZN ZINC ION × 2 SO4 SULFATE ION × 3 AZI AZIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., pH 5.00	分辨率 1.80 Å R-free 0.202
2BFZ Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. 提交 2004-12-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–227（227 aa）	非标准单体：是（mmCIF未提供具体位点）	GOL GLYCEROL × 4 ZN ZINC ION × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., PH 4.50	分辨率 2.30 Å R-free 0.239
2BFZ Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. 提交 2004-12-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–227（227 aa）	非标准单体：是（mmCIF未提供具体位点）	GOL GLYCEROL × 5 ZN ZINC ION × 1 SO4 SULFATE ION × 3 AZI AZIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., PH 4.50	分辨率 2.30 Å R-free 0.239
2BG2 Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20mM ZnSO4 in the buffer. 1mM DTT and 1mM TCEP- HCl were used as reducing agents. Cys221 is reduced. 提交 2004-12-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–49（19 aa）链 A 50–64（15 aa）链 A 65–66（2 aa）链 A 67–67（1 aa）链 A 68–102（35 aa）链 A 103–108（6 aa）链 A 109–131（23 aa）链 A 132–149（18 aa）链 A 150–188（39 aa）链 A 189–191（3 aa）链 A 192–242（51 aa）链 A 243–257（15 aa）	突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES	GOL GLYCEROL × 10 ZN ZINC ION × 2 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., pH 4.50	分辨率 2.40 Å R-free 0.224
2BG2 Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20mM ZnSO4 in the buffer. 1mM DTT and 1mM TCEP- HCl were used as reducing agents. Cys221 is reduced. 提交 2004-12-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 31–49（19 aa）链 B 50–64（15 aa）链 B 65–66（2 aa）链 B 67–67（1 aa）链 B 68–102（35 aa）链 B 103–108（6 aa）链 B 109–131（23 aa）链 B 132–149（18 aa）链 B 150–188（39 aa）链 B 189–191（3 aa）链 B 192–242（51 aa）链 B 243–257（15 aa）	突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES	GOL GLYCEROL × 11 ZN ZINC ION × 2 SO4 SULFATE ION × 5 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., pH 4.50	分辨率 2.40 Å R-free 0.224
2BG6 Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. 提交 2004-12-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–49（19 aa）链 A 50–64（15 aa）链 A 65–66（2 aa）链 A 67–67（1 aa）链 A 68–102（35 aa）链 A 103–108（6 aa）链 A 109–131（23 aa）链 A 132–149（18 aa）链 A 150–188（39 aa）链 A 189–191（3 aa）链 A 192–242（51 aa）链 A 243–257（15 aa）	突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）	GOL GLYCEROL × 10 ZN ZINC ION × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., pH 5.00	分辨率 2.30 Å R-free 0.223
2BG6 Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. 提交 2004-12-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 31–49（19 aa）链 B 50–64（15 aa）链 B 65–66（2 aa）链 B 67–67（1 aa）链 B 68–102（35 aa）链 B 103–108（6 aa）链 B 109–131（23 aa）链 B 132–149（18 aa）链 B 150–188（39 aa）链 B 189–191（3 aa）链 B 192–242（51 aa）链 B 243–257（15 aa）	突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）	GOL GLYCEROL × 6 ZN ZINC ION × 1 SO4 SULFATE ION × 5 AZI AZIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., pH 5.00	分辨率 2.30 Å R-free 0.223
2BG7 Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. 提交 2004-12-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–49（19 aa）链 A 50–64（15 aa）链 A 65–66（2 aa）链 A 67–67（1 aa）链 A 68–102（35 aa）链 A 103–108（6 aa）链 A 109–131（23 aa）链 A 132–149（18 aa）链 A 150–188（39 aa）链 A 189–191（3 aa）链 A 192–242（51 aa）链 A 243–257（15 aa）	突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）	GOL GLYCEROL × 6 ZN ZINC ION × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., PH 4.50	分辨率 2.10 Å R-free 0.222
2BG7 Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. 提交 2004-12-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 31–49（19 aa）链 B 50–64（15 aa）链 B 65–66（2 aa）链 B 67–67（1 aa）链 B 68–102（35 aa）链 B 103–108（6 aa）链 B 109–131（23 aa）链 B 132–149（18 aa）链 B 150–188（39 aa）链 B 189–191（3 aa）链 B 192–242（51 aa）链 B 243–257（15 aa）	突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）	GOL GLYCEROL × 6 ZN ZINC ION × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., PH 4.50	分辨率 2.10 Å R-free 0.222
2BG8 Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT and 1mM TCEP-HCl were used as reducing agents. 提交 2004-12-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–49（19 aa）链 A 50–64（15 aa）链 A 65–66（2 aa）链 A 67–67（1 aa）链 A 68–102（35 aa）链 A 103–108（6 aa）链 A 109–131（23 aa）链 A 132–149（18 aa）链 A 150–188（39 aa）链 A 189–191（3 aa）链 A 192–242（51 aa）链 A 243–257（15 aa）	突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）	GOL GLYCEROL × 7 ZN ZINC ION × 1 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., PH 4.50	分辨率 2.50 Å R-free 0.237
2BG8 Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT and 1mM TCEP-HCl were used as reducing agents. 提交 2004-12-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 31–49（19 aa）链 B 50–64（15 aa）链 B 65–66（2 aa）链 B 67–67（1 aa）链 B 68–102（35 aa）链 B 103–108（6 aa）链 B 109–131（23 aa）链 B 132–149（18 aa）链 B 150–188（39 aa）链 B 189–191（3 aa）链 B 192–242（51 aa）链 B 243–257（15 aa）	突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES	GOL GLYCEROL × 5 ZN ZINC ION × 1 SO4 SULFATE ION × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., PH 4.50	分辨率 2.50 Å R-free 0.237
2BGA Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. 提交 2004-12-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–49（19 aa）链 A 50–64（15 aa）链 A 65–66（2 aa）链 A 67–67（1 aa）链 A 68–102（35 aa）链 A 103–108（6 aa）链 A 109–131（23 aa）链 A 132–149（18 aa）链 A 150–188（39 aa）链 A 189–191（3 aa）链 A 192–242（51 aa）链 A 243–257（15 aa）	突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）	AZI AZIDE ION × 3 GOL GLYCEROL × 1 ZN ZINC ION × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., pH 7.00	分辨率 2.70 Å R-free 0.247
2BGA Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. 提交 2004-12-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 31–49（19 aa）链 B 50–64（15 aa）链 B 65–66（2 aa）链 B 67–67（1 aa）链 B 68–102（35 aa）链 B 103–108（6 aa）链 B 109–131（23 aa）链 B 132–149（18 aa）链 B 150–188（39 aa）链 B 189–191（3 aa）链 B 192–242（51 aa）链 B 243–257（15 aa）	突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）突变：YES 非标准单体：是（mmCIF未提供具体位点）	AZI AZIDE ION × 1 GOL GLYCEROL × 1 ZN ZINC ION × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM TRIS AT PH4.5-5, 70-75% AMMONIUM SULPHATE, 1MM DTT OR 1MM DTT AND 1MM TCEP-HCL, 2MM ZNSO4 AND 0.1% AZIDE. PROTEIN CONCENTRATION OF 2.7 MG/ML. DROPS WERE KEPT AT 291K AND WERE STREAK SEEDED FROM A WILD TYPE CRYSTAL AFTER 1 DAY., pH 7.00	分辨率 2.70 Å R-free 0.247
2M5C Solution Structure of the Bacillus cereus Metallo-Beta-Lactamase BcII 提交 2013-02-20	突变/修饰不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	未记录	ZN ZINC ION × 2	SOLUTION NMR NMR测量条件 pH 6.4；308 K；离子强度（mmCIF原始值）120；压力 ambient NMR样品组成 1 mM [U-99% 15N] BcII-1, 20 mM MES-2, 0.2 mM Zinc Chloride-3, 100 mM sodium chloride-4, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR样品组成 1 mM [U-99% 13C; U-99% 15N] BcII-5, 20 mM MES-6, 0.2 mM Zinc Chloride-7, 100 mM sodium chloride-8, 90% H2O/10% D2O \| 90% H2O/10% D2O	分辨率未提供
2M5D Solution Structure of the Bacillus cereus Metallo-Beta-Lactamase BcII in Complex with R-Thiomandelic Acid 提交 2013-02-20	突变/修饰不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	未记录	ZN ZINC ION × 2 RTD (2R)-phenyl(sulfanyl)ethanoic acid × 1	SOLUTION NMR NMR测量条件 pH 6.4；308 K；离子强度（mmCIF原始值）120；压力 ambient NMR样品组成 1 mM [U-99% 15N] BcII-1, 1 mM R-Thiomandelic Acid-2, 20 mM MES-3, 100 mM sodium chloride-4, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR样品组成 1 mM [U-99% 13C; U-99% 15N] BcII-5, 1 mM R-Thiomandelic Acid-6, 20 mM MES-7, 100 mM sodium chloride-8, 90% H2O/10% D2O \| 90% H2O/10% D2O	分辨率未提供
2NXA Structure of Zn-dependent Metallo-Beta-Lactamase from Bacillus Cereus R121H, C221D Double Mutant 提交 2006-11-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 37–257（221 aa）	突变：y	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.4；295 K；0.1 M sodium cacodylate, pH 5.4, 60 mM sodium tartrate, 18% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.29 Å R-free 0.256
2NYP Structure of beta-lactamase II from Bacillus cereus. R121H, C221D doble mutant with two zinc ions. 提交 2006-11-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 37–257（221 aa）	突变：y	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.4；295 K；0.1 M sodium cacodylate,60 mM sodium tartrate, 18% PEG 3350, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.84 Å R-free 0.241
2NZE Structure of beta-lactamase II from Bacillus cereus. R121H, C221S double mutant. Space group P3121. 提交 2006-11-23	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 36–257（222 aa）	突变：yes	ZN ZINC ION × 1 SO4 SULFATE ION × 3 ACY ACETIC ACID × 4 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；295 K；0.1 M sodium acetate, 2.8 M ammonium sulfate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.80 Å R-free 0.217
2NZE Structure of beta-lactamase II from Bacillus cereus. R121H, C221S double mutant. Space group P3121. 提交 2006-11-23	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 36–257（222 aa）	突变：yes	ZN ZINC ION × 1 SO4 SULFATE ION × 3 ACY ACETIC ACID × 4 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；295 K；0.1 M sodium acetate, 2.8 M ammonium sulfate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.80 Å R-free 0.217
2NZE Structure of beta-lactamase II from Bacillus cereus. R121H, C221S double mutant. Space group P3121. 提交 2006-11-23	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 36–257（222 aa）	突变：yes	ZN ZINC ION × 2 SO4 SULFATE ION × 6 ACY ACETIC ACID × 8 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；295 K；0.1 M sodium acetate, 2.8 M ammonium sulfate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.80 Å R-free 0.217
2NZF Structure of beta-lactamase II from Bacillus cereus. R121H, C221S double mutant. Space group C2. 提交 2006-11-23	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 37–257（221 aa）	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.4；295 K；0.1 M sodium cacodylate, 60 mM sodium tartrate, 18% PEG 3350, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.28 Å R-free 0.238
2UYX metallo-beta-lactamase (1BC2) single point mutant D120S 提交 2007-04-20	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 30–49（20 aa）片段：RESIDUES 30-257 链 A 50–67（18 aa）片段：RESIDUES 30-257 链 A 68–102（35 aa）片段：RESIDUES 30-257 链 A 103–108（6 aa）片段：RESIDUES 30-257 链 A 109–131（23 aa）片段：RESIDUES 30-257 链 A 132–149（18 aa）片段：RESIDUES 30-257 链 A 150–188（39 aa）片段：RESIDUES 30-257 链 A 189–191（3 aa）片段：RESIDUES 30-257 链 A 192–242（51 aa）片段：RESIDUES 30-257 链 A 243–257（15 aa）片段：RESIDUES 30-257	突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES 突变：YES	GOL GLYCEROL × 4 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；19% PEG 3350, 0.1M NA CACODYLATE PH 5.5, 0.1M NA TARTRATE, 25% GLYCEROL ADDED AS CRYOPROTECTANT	分辨率 1.95 Å R-free 0.221
3BC2 METALLO BETA-LACTAMASE II FROM BACILLUS CEREUS 569/H/9 AT PH 6.0, MONOCLINIC CRYSTAL FORM 提交 1997-09-09	配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	非标准单体：是（mmCIF未提供具体位点）	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；pH 6.0	分辨率 1.70 Å R-free 0.241
3FCZ Adaptive protein evolution grants organismal fitness by improving catalysis and flexibility 提交 2008-11-24	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 36–247（212 aa）	突变：N70S, V112A, L250S, G262S	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；24% PEG 3350, 0.1M sodium tartrate, 1mM DTT, 1mM zinc acetate, 0.1M sodium cacodylate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.80 Å R-free 0.258
3FCZ Adaptive protein evolution grants organismal fitness by improving catalysis and flexibility 提交 2008-11-24	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 36–247（212 aa）	突变：N70S, V112A, L250S, G262S	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；24% PEG 3350, 0.1M sodium tartrate, 1mM DTT, 1mM zinc acetate, 0.1M sodium cacodylate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.80 Å R-free 0.258
3I0V Bacillus cereus metallo-beta-lactamase: apo form 提交 2009-06-25	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	非标准单体：是（mmCIF未提供具体位点）	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；0.1 M Sodium cacodylate, 0.1 M Sodium tartrate, 18% PEG 3350. Soak at pH 5 to remove Zn(II), Vapor diffusion, hanging drop, temperature 293K	分辨率 1.60 Å R-free 0.205
3I11 Cobalt-substituted metallo-beta-lactamase from Bacillus cereus 提交 2009-06-25	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	未记录	CO COBALT (II) ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；0.1 M Sodium cacodylate, 0.1 M Sodium tartrate, 18% PEG 3350. Crystals of the apo-protein were soaked in 1 mM CoSO4, pH 5.8, Vapor diffusion, hanging drop, temperature 293K	分辨率 1.45 Å R-free 0.204
3I13 Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 5.8 提交 2009-06-25	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	未记录	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；0.1 M Sodium cacodylate, 0.1 M Sodium tartrate, 18% PEG 3350, 1 mM ZnSO4, 1 mM DTT, pH 5.8, Vapor diffusion, hanging drop, temperature 293K	分辨率 1.74 Å R-free 0.217
3I14 Cobalt-substituted metallo-beta-lactamase from Bacillus cereus: residue Cys168 partially oxidized 提交 2009-06-25	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	非标准单体：是（mmCIF未提供具体位点）	CO COBALT (II) ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；0.1 M Sodium cacodylate, 0.1 M Sodium tartrate, 18% PEG 3350, 1 mM CoSO4, 1 mM DTT, pH 5.8, Vapor diffusion, hanging drop, temperature 293K	分辨率 1.55 Å R-free 0.191
3I15 Cobalt-substituted metallo-beta-lactamase from Bacillus cereus: residue Cys168 fully oxidized 提交 2009-06-25	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	非标准单体：是（mmCIF未提供具体位点）	CO COBALT (II) ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；0.1 M Sodium cacodylate, 0.1 M Sodium tartrate, 18% PEG 3350, 40 mM CoSO4, 1 mM DTT, pH 5.8, Vapor diffusion, hanging drop, temperature 293K	分辨率 1.55 Å R-free 0.186
3KNR Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 1 mM Zn(II) 提交 2009-11-12	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	突变：C168D	ZN ZINC ION × 2 SO4 SULFATE ION × 1 ACY ACETIC ACID × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；0.1 M Sodium Acetate, 2.8 M Ammonium Sulfate, 1 mM Zinc Sulfate, pH 4.9, Vapor diffusion, hanging drop., temperature 293K	分辨率 1.71 Å R-free 0.210
3KNR Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 1 mM Zn(II) 提交 2009-11-12	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 31–257（227 aa）	突变：C168D	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；0.1 M Sodium Acetate, 2.8 M Ammonium Sulfate, 1 mM Zinc Sulfate, pH 4.9, Vapor diffusion, hanging drop., temperature 293K	分辨率 1.71 Å R-free 0.210
3KNR Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 1 mM Zn(II) 提交 2009-11-12	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 31–257（227 aa）	突变：C168D	ZN ZINC ION × 2 SO4 SULFATE ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；0.1 M Sodium Acetate, 2.8 M Ammonium Sulfate, 1 mM Zinc Sulfate, pH 4.9, Vapor diffusion, hanging drop., temperature 293K	分辨率 1.71 Å R-free 0.210
3KNR Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 1 mM Zn(II) 提交 2009-11-12	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 31–257（227 aa）	突变：C168D	ZN ZINC ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；0.1 M Sodium Acetate, 2.8 M Ammonium Sulfate, 1 mM Zinc Sulfate, pH 4.9, Vapor diffusion, hanging drop., temperature 293K	分辨率 1.71 Å R-free 0.210
3KNS Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 20 mM Zn(II) 提交 2009-11-12	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	突变：C168D	ZN ZINC ION × 2 SO4 SULFATE ION × 3 ACY ACETIC ACID × 1 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；0.1 M Sodium Acetate, 2.8 M Ammonium Sulfate, 20 mM Zinc Sulfate, pH 4.9, Vapor diffusion, hanging drop., temperature 293K	分辨率 1.58 Å R-free 0.194
3KNS Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 20 mM Zn(II) 提交 2009-11-12	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 31–257（227 aa）	突变：C168D	ZN ZINC ION × 2 SO4 SULFATE ION × 1 ACY ACETIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；0.1 M Sodium Acetate, 2.8 M Ammonium Sulfate, 20 mM Zinc Sulfate, pH 4.9, Vapor diffusion, hanging drop., temperature 293K	分辨率 1.58 Å R-free 0.194
3KNS Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 20 mM Zn(II) 提交 2009-11-12	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 31–257（227 aa）	突变：C168D	ZN ZINC ION × 2 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；0.1 M Sodium Acetate, 2.8 M Ammonium Sulfate, 20 mM Zinc Sulfate, pH 4.9, Vapor diffusion, hanging drop., temperature 293K	分辨率 1.58 Å R-free 0.194
3KNS Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 20 mM Zn(II) 提交 2009-11-12	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 31–257（227 aa）	突变：C168D	ZN ZINC ION × 2 SO4 SULFATE ION × 1 ACY ACETIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；0.1 M Sodium Acetate, 2.8 M Ammonium Sulfate, 20 mM Zinc Sulfate, pH 4.9, Vapor diffusion, hanging drop., temperature 293K	分辨率 1.58 Å R-free 0.194
4C09 Crystal structure of the metallo-beta-lactamase BCII 提交 2013-07-31	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）片段：RESIDUES 31-257	未记录	GOL GLYCEROL × 2 SO4 SULFATE ION × 1 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；0.2 M AMMONIUM SULFATE, 0.1 M BIS TRIS, 25 % W/V PEG 3350 PH 5.5, 1 MM TCEP.	分辨率 1.20 Å R-free 0.139
4C1C Crystal structure of the metallo-beta-lactamase BCII with D-captopril 提交 2013-08-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）片段：RESIDUES 31-257	未记录	GOL GLYCEROL × 2 SO4 SULFATE ION × 1 MCO 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID × 1 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；0.2 M AMMONIUM SULFATE, 0.1 M BIS TRIS, 25 % W/V PEG 3350, PH 5.5, 1 MM TCEP.	分辨率 1.18 Å R-free 0.136
4C1H Crystal structure of the metallo-beta-lactamase BCII with L-captopril 提交 2013-08-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）片段：RESIDUES 31-257	未记录	GOL GLYCEROL × 2 SO4 SULFATE ION × 1 X8Z L-CAPTOPRIL × 1 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；0.2 M AMMONIUM SULFATE, 0.1 M BIS TRIS, 25 % W/V PEG 3350, PH 5.5, 1 MM TCEP.	分辨率 1.10 Å R-free 0.139
4NQ4 Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 提交 2013-11-23	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 36–257（222 aa）片段：UNP residues 36-257	未记录	ZN ZINC ION × 2 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG3350, 180mM K2SO4, protein at 15mg/ml in 10mM Tris-HCl pH7, 50mM NaCl, 1mM DTT, 1mM Zn2SO4, vapor diffusion, hanging drop, temperature 298K	分辨率 1.67 Å R-free 0.300
4NQ5 Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound CS319 提交 2013-11-23	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 36–257（222 aa）片段：UNP residues 36-257	未记录	ZN ZINC ION × 2 3C7 (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid × 1 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG3350, 180mM K2SO4, protein at 15mg/ml in 10mM Tris-HCl pH7, 50mM NaCl, 1mM DTT, 1mM Zn2SO4, vapor diffusion, hanging drop, temperature 298K	分辨率 2.29 Å R-free 0.254
4NQ6 Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound L-CS319 提交 2013-11-23	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 36–257（222 aa）片段：UNP residues 36-257	未记录	ZN ZINC ION × 2 K POTASSIUM ION × 1 3R9 (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG3350, 180mM K2SO4, protein at 15mg/ml in 10mM Tris-HCl pH7, 50mM NaCl, 1mM DTT, 1mM Zn2SO4, vapor diffusion, hanging drop, temperature 298K	分辨率 1.80 Å R-free 0.244
4TYT Crystal Structure of BcII metallo-beta-lactamase in complex with ML302F 提交 2014-07-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）片段：UNP residues 31-257	未记录	ZN ZINC ION × 2 S3C (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；0.2 M A.S., 0.1M BIS-TRIS, 25% PEG 3350	分辨率 1.80 Å R-free 0.201
5FQA Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II 提交 2015-12-08	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）片段：UNP RESIDUES 31-257	非标准单体：是（mmCIF未提供具体位点）	FE FE (III) ION × 2 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 OH HYDROXIDE ION × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；0.2 M AMMONIUM SULFATE, 0.1 M BIS TRIS, 25 % W/V PEG 3350 PH 5.5, 1 MM TCEP	分辨率 1.10 Å R-free 0.140
5FQB Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C 提交 2015-12-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）片段：UNP RESIDUES 31-257	未记录	ZN ZINC ION × 2 OK3 (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.2 M AMMONIUM SULFATE, 0.1 M BIS TRIS, 25 % W/V PEG 3350 PH 5.5, 1 MM TCEP.	分辨率 1.90 Å R-free 0.181
5JMX Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305 提交 2016-04-29	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	未记录	ZN ZINC ION × 2 SO4 SULFATE ION × 1 DZ5 (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；1MM TCEP, 5MM DZ-305, 50MM HEPES PH7.5, 100MM NACL, 0.1MM ZNCL2, 0.1M MAGNESIUM FORMATE, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K	分辨率 1.44 Å R-free 0.186
5W8W Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 - new refinement 提交 2017-06-22	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 36–257（222 aa）片段：residues 36-257	未记录	ZN ZINC ION × 2 UNX UNKNOWN LIGAND × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG3350, 180mM K2SO4, protein at 15mg/ml in 10mM Tris-HCl pH7, 50mM NaCl, 1mM DTT, 1mM Zn2SO4, vapor diffusion, hanging drop, temperature 298K	分辨率 2.25 Å R-free 0.219
6EUM CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 提交 2017-10-30	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	非标准单体：是（mmCIF未提供具体位点）	ZN ZINC ION × 2 SO4 SULFATE ION × 1 BY5 (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；1MM TCEP, 5MM DZ-307, 50MM HEPES pH7.5, 100MM NACL, 0.1MM ZNCL2, 0.1M MAGNESIUM FORMATE, 25% PEG 3350	分辨率 1.18 Å R-free 0.151
6EWE Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 提交 2017-11-03	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	未记录	ZN ZINC ION × 2 SO4 SULFATE ION × 1 C0W (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；1MM TCEP, 5MM DZ-305, 50MM HEPES PH7.5, 100MM NACL, 0.1MM ZNCL2, 0.1M MAGNESIUM FORMATE, 25% PEG 3350	分辨率 1.46 Å R-free 0.167
6F2N Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197 提交 2017-11-24	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–257（227 aa）	未记录	ZN ZINC ION × 2 SO4 SULFATE ION × 1 CF8 (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M A.S., 0.1M BIS-TRIS, 25% PEG 3350, 10mM inhibitor	分辨率 1.15 Å R-free 0.151

共 43 个其他 PDB 条目、60 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	BLA2_BACCE
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–227； UniProt 31–257 作者链 B； PDB构建体 1–227； UniProt 31–257

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	2bc2
沉积日期 deposition_date	1997-09-09
结构标题 title	METALLO BETA-LACTAMASE II FROM BACILLUS CEREUS 569/H/9 AT PH 6.0, TRIGONAL CRYSTAL FORM
关键词 keywords	HYDROLASE, BETA-LACTAMASE, ANTIBIOTIC, METALLOENZYME; HYDROLASE
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	25.89 Å
回转半径 Rg (电子) rg_electron	25.54 Å
零角强度 I(0) i0	38993300.00
分子量 molecular_weight	48347.0 kDa
排除体积 excluded_volume	60636 Å³
包络体积 envelope_volume	72302 Å³
水化壳体积 shell_volume	24334 Å³
包络直径 envelope_diameter	86.8 Å
壳层 Rg shell_rg	31.86 Å
包络 Rg envelope_rg	25.31 Å
形状 Rg shape_rg	25.52 Å
总 Rg total_rg	26.31 Å
总原子数 total_atoms	3390
残基数 n_residues	432
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	84.1 Å
Rg (实空间) rg_real	26.00 Å
Rg 误差 (实空间) rg_real_error	0.55 Å
I(0) (实空间) i0_real	3.8990e+07
I(0) 误差 (实空间) i0_real_error	5.7120e+05
Rg (倒空间) rg_reciprocal	25.97 Å
I(0) (倒空间) i0_reciprocal	38990000.0000
解质量估计 total_estimate	0.8660
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	24.8 Å
偏度 Skewness skewness	0.412
峰度 Kurtosis kurtosis	-0.538
角度范围 angular_range	— – 0.3050 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	18100000.0000
实空间数据点数 n_real_points	62
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.824; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.910; Smooth: 0.874

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (4)

实体 1 Entity 1 polymer

描述 description	METALLO BETA-LACTAMASE II
分子量 formula_weight	25027.5 kDa
EC 编号 ec_number	3.5.2.6
来源方法 src_method	nat
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	4030

SQKVEKTVIKNETGTISISQLNKNVWVHTELGSFNGEAVPSNGLVLNTSKGLVLVDSSWDDKLTKELIEMVEKKFQKRVTDVIITHAHADRIGGIKTLKERGIKAHSTALTAELAKKNGYEEPLGDLQTVTNLKFGNMKVETFYPGKGHTEDNIVVWLPQYNILVGGCLVKSTSAKDLGNVADAYVNEWSTSIENVLKRYRNINAVVPGHGEVGDKGLLLHTLDLLK

实体 2 Entity 2 non-polymer

描述 description	ZINC ION
分子量 formula_weight	65.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 3 Entity 3 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

实体 4 Entity 4 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	632

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7. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

结构域编号 domain_id	d2bc2a_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.157 — Metallo-hydrolase/oxidoreductase
超家族 Superfamily superfamily	d.157.1 — Metallo-hydrolase/oxidoreductase
家族 Family family	d.157.1.1 — Zn metallo-beta-lactamase

结构域编号 domain_id	d2bc2b_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.157 — Metallo-hydrolase/oxidoreductase
超家族 Superfamily superfamily	d.157.1 — Metallo-hydrolase/oxidoreductase
家族 Family family	d.157.1.1 — Zn metallo-beta-lactamase

CATH v4.4 (2 domains)

结构域编号 domain_id	2bc2A00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	60 — 4-Layer Sandwich
拓扑 Topology topology	15 — Metallo-beta-lactamase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

结构域编号 domain_id	2bc2B00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	60 — 4-Layer Sandwich
拓扑 Topology topology	15 — Metallo-beta-lactamase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

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8. 引用文献 (2)

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晶胞边长 a length_a	67.320 Å
晶胞边长 b length_b	67.320 Å
晶胞边长 c length_c	177.900 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	120.00 °
晶胞分子数 Z z_pdb	12

空间群 space_group	P 31 2 1
空间群编号 int_tables_number	152
晶系 crystal_system	—

分辨率 resolution	1.700 Å
最低分辨率 resolution_low	8.000 Å
R 因子 r_factor	0.2000
R_work r_work	0.2000
R_free r_free	0.2510

fit	/app/data/saxs_computation/bc/2bc2/2bc2.fit
pddf	/app/data/pr_computation/bc/2bc2/2bc2.pr.out
profile	/app/data/saxs_computation/bc/2bc2/2bc2.dat