1cg2

CARBOXYPEPTIDASE G2

Method: X-RAY DIFFRACTION D_max: 135.1 Å Quality: GOOD

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

CARBOXYPEPTIDASE G2

Pseudomonas sp.

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	蛋白同源多聚体同源多聚体蛋白 × 4 PDB 声明：tetrameric（4）与蛋白拷贝数一致	链 A； UniProt 23–415 链 B； UniProt 23–415 链 C； UniProt 23–415 链 D； UniProt 23–415	未记录	ZN ZINC ION × 13	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.2；291 K；HANGING DROPS WERE FORMED BY MIXING 4 MICROLITERS OF PROTEIN SOLUTION AT 16-20 MG/ML WITH 4 MICROLITERS OF RESERVOIR SOLUTION CONTAINING 10-12% PEG 4000, 0.2M TRIS (PH 7.2), 0.2M ZINC ACETATE 10% GLYCEROL. CRYSTALS GREW AT 18-20 DEGREES WITHIN A FEW DAYS., vapor diffusion - hanging drop, temperature 291K	分辨率 2.50 Å R-free 0.224

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 1CG2	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
6XJ5 Carboxypeptidase G2 modified with a versatile bioconjugate for metalloprotein design 提交 2020-06-22	构建体不同突变/修饰不同聚集状态不同配体/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 24–415（392 aa）链 B 24–415（392 aa）	突变：S203C 突变：S203C 非标准单体：是（mmCIF未提供具体位点）	ZN ZINC ION × 12	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Reservoir consisted of 750 uL of 0.2 M Tris pH 7.5, 10% PEG 3350, and 5% glycerol. 2 uL of reservoir solution was mixed with 2 uL of protein solution, consisting of 4.7 mg/mL CPG2 in 50 mM Tris 100 mM NaCl pH 7.4 supplemented with 0.1 M ZnSO4	分辨率 3.11 Å R-free 0.309
6XJ5 Carboxypeptidase G2 modified with a versatile bioconjugate for metalloprotein design 提交 2020-06-22	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 24–415（392 aa）链 D 24–415（392 aa）	突变：S203C 突变：S203C 非标准单体：是（mmCIF未提供具体位点）	ZN ZINC ION × 14 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Reservoir consisted of 750 uL of 0.2 M Tris pH 7.5, 10% PEG 3350, and 5% glycerol. 2 uL of reservoir solution was mixed with 2 uL of protein solution, consisting of 4.7 mg/mL CPG2 in 50 mM Tris 100 mM NaCl pH 7.4 supplemented with 0.1 M ZnSO4	分辨率 3.11 Å R-free 0.309
6XJ5 Carboxypeptidase G2 modified with a versatile bioconjugate for metalloprotein design 提交 2020-06-22	构建体不同突变/修饰不同聚集状态不同配体/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 E 24–415（392 aa）链 F 24–415（392 aa）	突变：S203C 突变：S203C 非标准单体：是（mmCIF未提供具体位点）	ZN ZINC ION × 17	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Reservoir consisted of 750 uL of 0.2 M Tris pH 7.5, 10% PEG 3350, and 5% glycerol. 2 uL of reservoir solution was mixed with 2 uL of protein solution, consisting of 4.7 mg/mL CPG2 in 50 mM Tris 100 mM NaCl pH 7.4 supplemented with 0.1 M ZnSO4	分辨率 3.11 Å R-free 0.309
6XJ5 Carboxypeptidase G2 modified with a versatile bioconjugate for metalloprotein design 提交 2020-06-22	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 4 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 G 24–415（392 aa）链 H 24–415（392 aa）	突变：S203C 突变：S203C 非标准单体：是（mmCIF未提供具体位点）	ZN ZINC ION × 13	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Reservoir consisted of 750 uL of 0.2 M Tris pH 7.5, 10% PEG 3350, and 5% glycerol. 2 uL of reservoir solution was mixed with 2 uL of protein solution, consisting of 4.7 mg/mL CPG2 in 50 mM Tris 100 mM NaCl pH 7.4 supplemented with 0.1 M ZnSO4	分辨率 3.11 Å R-free 0.309
7M6U Crystal structure of a circular permutation and computationally designed pro-enzyme of carboxypeptidase G2 提交 2021-03-26	构建体不同突变/修饰不同聚集状态不同配体/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 89–415（327 aa）链 A 25–88（64 aa）链 C 89–415（327 aa）链 C 25–88（64 aa）	突变：K177A 突变：K177A 突变：K177A 突变：K177A	ZN ZINC ION × 11 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；Protein was prepared to a concentration of 19 mg/mL in 50 mM Tris 100 mM NaCl pH 7.4 0.2 mM ZnSO4. Reservoirs containing 750 uL of 20 mM Tris pH 8.0, 10% glycerol, and 10% PEG 3350 were prepared in 24 well hanging drop vapor diffusion plates. Equal volumes of protein solution and reservoir solution were mixed on a cover slip and suspended over the reservoir	分辨率 2.59 Å R-free 0.279
7M6U Crystal structure of a circular permutation and computationally designed pro-enzyme of carboxypeptidase G2 提交 2021-03-26	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 89–415（327 aa）链 B 25–88（64 aa）链 D 89–415（327 aa）链 D 25–88（64 aa）	突变：K177A 突变：K177A 突变：K177A 突变：K177A	ZN ZINC ION × 9	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；Protein was prepared to a concentration of 19 mg/mL in 50 mM Tris 100 mM NaCl pH 7.4 0.2 mM ZnSO4. Reservoirs containing 750 uL of 20 mM Tris pH 8.0, 10% glycerol, and 10% PEG 3350 were prepared in 24 well hanging drop vapor diffusion plates. Equal volumes of protein solution and reservoir solution were mixed on a cover slip and suspended over the reservoir	分辨率 2.59 Å R-free 0.279

共 2 个其他 PDB 条目、6 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	CBPG_PSES6
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–393； UniProt 23–415 作者链 B； PDB构建体 1–393； UniProt 23–415 作者链 C； PDB构建体 1–393； UniProt 23–415 作者链 D； PDB构建体 1–393； UniProt 23–415

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	1cg2
沉积日期 deposition_date	1996-12-20
结构标题 title	CARBOXYPEPTIDASE G2
关键词 keywords	METALLOCARBOXYPEPTIDASE, HYDROLASE; METALLOCARBOXYPEPTIDASE
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	40.67 Å
回转半径 Rg (电子) rg_electron	40.93 Å
零角强度 I(0) i0	380739000.00
分子量 molecular_weight	158500.0 kDa
排除体积 excluded_volume	197850 Å³
包络体积 envelope_volume	261990 Å³
水化壳体积 shell_volume	55599 Å³
包络直径 envelope_diameter	135.3 Å
壳层 Rg shell_rg	44.74 Å
包络 Rg envelope_rg	39.62 Å
形状 Rg shape_rg	40.96 Å
总 Rg total_rg	41.02 Å
总原子数 total_atoms	11135
残基数 n_residues	1556
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	135.1 Å
Rg (实空间) rg_real	40.75 Å
Rg 误差 (实空间) rg_real_error	1.17 Å
I(0) (实空间) i0_real	3.8070e+08
I(0) 误差 (实空间) i0_real_error	6.3960e+06
Rg (倒空间) rg_reciprocal	40.67 Å
I(0) (倒空间) i0_reciprocal	380700000.0000
解质量估计 total_estimate	0.8739
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	45.0 Å
偏度 Skewness skewness	0.372
峰度 Kurtosis kurtosis	-0.468
角度范围 angular_range	— – 0.1950 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	39130000.0000
实空间数据点数 n_real_points	40
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.885; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.951; Smooth: 0.751

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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 (3)

实体 1 Entity 1 polymer

描述 description	CARBOXYPEPTIDASE G2
分子量 formula_weight	41748.4 kDa
EC 编号 ec_number	3.4.17.11
来源方法 src_method	man
拷贝数 entity_count	4

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	11466

ALAQKRDNVLFQAATDEQPAVIKTLEKLVNIETGTGDAEGIAAAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKIKGRGGKNLLLMSHMDTVYLKGILAKAPFRVEGDKAYGPGIADDKGGNAVILHTLKLLKEYGVRDYGTITVLFNTDEEKGSFGSRDLIQEEAKLADYVLSFEPTSAGDEKLSLGTSGIAYVQVNITGKASHAGAAPELGVNALVEASDLVLRTMNIDDKAKNLRFNWTIAKAGNVSNIIPASATLNADVRYARNEDFDAAMKTLEERAQQKKLPEADVKVIVTRGRPAFNAGEGGKKLVDKAVAYYKEAGGTLGVEERTGGGTDAAYAALSGKPVIESLGLPGFGYHSDKAEYVDISAIPRRLYMAARLIMDLGAGK

来源 Source

来源生物 organism	Pseudomonas sp.
NCBI 分类编号 ncbi_taxonomy_id	312
宿主生物 host_organism	Escherichia coli

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	13

实体 3 Entity 3 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	331

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7. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d1cg2a1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.56 — Phosphorylase/hydrolase-like
超家族 Superfamily superfamily	c.56.5 — Zn-dependent exopeptidases
家族 Family family	c.56.5.4 — Bacterial dinuclear zinc exopeptidases

结构域编号 domain_id	d1cg2a2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.19 — Bacterial exopeptidase dimerisation domain
家族 Family family	d.58.19.1 — Bacterial exopeptidase dimerisation domain

结构域编号 domain_id	d1cg2b1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.56 — Phosphorylase/hydrolase-like
超家族 Superfamily superfamily	c.56.5 — Zn-dependent exopeptidases
家族 Family family	c.56.5.4 — Bacterial dinuclear zinc exopeptidases

结构域编号 domain_id	d1cg2b2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.19 — Bacterial exopeptidase dimerisation domain
家族 Family family	d.58.19.1 — Bacterial exopeptidase dimerisation domain

结构域编号 domain_id	d1cg2c1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.56 — Phosphorylase/hydrolase-like
超家族 Superfamily superfamily	c.56.5 — Zn-dependent exopeptidases
家族 Family family	c.56.5.4 — Bacterial dinuclear zinc exopeptidases

结构域编号 domain_id	d1cg2c2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.19 — Bacterial exopeptidase dimerisation domain
家族 Family family	d.58.19.1 — Bacterial exopeptidase dimerisation domain

结构域编号 domain_id	d1cg2d1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.56 — Phosphorylase/hydrolase-like
超家族 Superfamily superfamily	c.56.5 — Zn-dependent exopeptidases
家族 Family family	c.56.5.4 — Bacterial dinuclear zinc exopeptidases

结构域编号 domain_id	d1cg2d2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.19 — Bacterial exopeptidase dimerisation domain
家族 Family family	d.58.19.1 — Bacterial exopeptidase dimerisation domain

CATH v4.4 (8 domains)

结构域编号 domain_id	1cg2A01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	1cg2A02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	360 —

结构域编号 domain_id	1cg2B01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	1cg2B02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	360 —

结构域编号 domain_id	1cg2C01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	1cg2C02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	360 —

结构域编号 domain_id	1cg2D01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	1cg2D02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	360 —

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8. 引用文献 (2)

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晶胞边长 a length_a	81.260 Å
晶胞边长 b length_b	105.280 Å
晶胞边长 c length_c	122.190 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	109.54 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	2.500 Å
最低分辨率 resolution_low	20.000 Å
R 因子 r_factor	0.1960
R_work r_work	0.1960
R_free r_free	0.2240

fit	/app/data/saxs_computation/cg/1cg2/1cg2.fit
pddf	/app/data/pr_computation/cg/1cg2/1cg2.pr.out
profile	/app/data/saxs_computation/cg/1cg2/1cg2.dat

CARBOXYPEPTIDASE G2

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

CARBOXYPEPTIDASE G2

当前结构中的状态

数据库中的同蛋白其他状态

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

2. 结构基本信息 2. Structure Basics

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

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

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

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

6. 实体与聚合物信息 Entities & Polymers (3)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 non-polymer

实体 3 Entity 3 water

7. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

8. 引用文献 (2)

9. 文件与曲线 (10)

Files (7)

Curves (3)