SAXSdb — 2woq

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

DELTA-AMINOLEVULINIC ACID DEHYDRATASE

PSEUDOMONAS AERUGINOSA

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 × 8 PDB 声明：octameric（8）与蛋白拷贝数一致	链 A； UniProt 1–337	未记录	AYC ALAREMYCIN 2 × 8 MG MAGNESIUM ION × 32 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 16 PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 32	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；290 K；100 MM HEPES PH 7.5, 200 MM MGCL2, 30 % PEG400 TEMPERATURE = 17 C PROTEIN CONCENTRATION = 20 MG/ML	分辨率 1.75 Å R-free 0.180

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 2WOQ	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
1B4K High resolution crystal structure of a MG2-dependent 5-aminolevulinic acid dehydratase 提交 1998-12-22	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 蛋白同源多聚体同源多聚体；蛋白 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	未记录	SO4 SULFATE ION × 8 MG MAGNESIUM ION × 4 SHF LAEVULINIC ACID × 8	X-RAY DIFFRACTION X-ray结晶条件 pH 8；pH 8.0	分辨率 1.67 Å R-free 0.208
1GZG Complex of a Mg2-dependent porphobilinogen synthase from Pseudomonas aeruginosa (mutant D139N) with 5-fluorolevulinic acid 提交 2002-05-21	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 蛋白同源多聚体同源多聚体；蛋白 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	突变：YES 突变：YES	LAF 5-FLUOROLEVULINIC ACID × 16 MG MAGNESIUM ION × 8 NA SODIUM ION × 8 SO4 SULFATE ION × 8 K POTASSIUM ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 9；PROTEIN SOLUTION: 12 MG/ML PBGS MUTANT D139N IN 50 MM K-HEPES, 10 MM MGCL2. CRYSTALLIZATION SOLUTION: 0.99 ML PROTEIN SOLUTION = 0.01 ML 2MM 5F-LA IN 50 MM K-HEPES, 10 MM MGCL2. RESERVOIR SOLUTION: 1 M NA/K-TARTRATE, 0.2M LI2SO4, 0.1 M CHES PH = 9,5. SITTING DROP: 0.003 ML CRYSTALLISATION SOLUTION + 0.003 ML RESERVOIR SOLUTION	分辨率 1.66 Å R-free 0.198
1W54 Stepwise introduction of a zinc binding site into Porphobilinogen synthase from Pseudomonas aeruginosa (mutation D139C) 提交 2004-08-05	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 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	突变：YES 突变：YES	FMT FORMIC ACID × 8 K POTASSIUM ION × 8 MG MAGNESIUM ION × 8 ZN ZINC ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP IN 24-WELL LIMBRO PLATES. DROPS MADE OF 5 MICROL PROTEIN SOLUTION (8,7 MG/ML PROTEIN, 50 MM NA-HEPES PH 7.5, 10 MM MGCL2, 10 ZNCL2, 10 MM DTT) PLUS 5 MICROL RESERVOIR SOLUTION (28,5 % (W/V) PEG-400, 100 MM NA-HEPES PH 7.5, 80MM MGCL2, 20MM DTT) ABOVE 500 MICROL OF RESERVOIR SOLUTION.	分辨率 2.20 Å R-free 0.217
1W56 Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations A129C and D131C) 提交 2004-08-05	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 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	突变：YES 突变：YES	FMT FORMIC ACID × 8 MG MAGNESIUM ION × 12 ZN ZINC ION × 8 K POTASSIUM ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP. DROPS WERE MIXED OF 5 MICROLITER OF PROTEIN SOLUTION (9 MG/ML PROTEIN, 50 MM NA-HEPES PH 7.5, 10MM MGCL2, 10MM ZNCL2, 10 MM DTT) PLUS 5 MICROLITER OF RESERVOIR SOLUTION (31.5 % (W/V) PEG 400, 100MM NA-HEPES PH 7.5, 20 MM MGCL2, 20MM BETA-MERCAPTOETHANOLE) ON GLASS COVER SLIDES,HANGING ABOVE 500 MICROLITER OF RESERVOIR SOLUTION.	分辨率 1.70 Å R-free 0.182
1W5M Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations A129C and D139C) 提交 2004-08-09	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 蛋白同源多聚体同源多聚体；蛋白 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	突变：YES 突变：YES	CL CHLORIDE ION × 8 FMT FORMIC ACID × 8 MG MAGNESIUM ION × 28 ZN ZINC ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；HANGING DROP. DROPS WERE MIXED OF 5 MICROLITER OF PROTEIN SOLUTION (7.5 MG/ML PROTEIN, 50 MM NA-HEPES PH 7.5, 10MM MGCL2, 10MM ZNCL2, 10 MM BETA-MERCAPTOETHANOLE) PLUS 5 MICROLITER OF RESERVOIR SOLUTION (30.0 % (W/V) PEG 400, 100MM NA-HEPES PH 8.5, 200 MM MGCL2, 20MM BETA-MERCAPTOETHANOLE) ON GLASS COVER SLIDES, HANGING ABOVE 500 MICROLITER OF RESERVOIR SOLUTION.	分辨率 1.60 Å R-free 0.165
1W5N Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations D131C and D139C) 提交 2004-08-09	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 蛋白同源多聚体同源多聚体；蛋白 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	突变：YES 突变：YES	FMT FORMIC ACID × 8 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 12 ZN ZINC ION × 8 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP. DROPS WERE MIXED OF 5 MICROLITER OF PROTEIN SOLUTION (9 MG/ML PROTEIN, 50 MM NA-HEPES PH 7.5, 10MM MGCL2, 10MM ZNCL2, 10 MM BETA-MERCAPTOETHANOLE) PLUS 5 MICROLITER OF RESERVOIR SOLUTION (30.0 % (W/V) PEG 400, 100MM NA-HEPES PH 7.5, 40 MM MGCL2, 20MM BETA-MERCAPTOETHANOLE) ON GLASS COVER SLIDES, HANGING ABOVE 500 MICROLITER OF RESERVOIR SOLUTION.	分辨率 1.65 Å R-free 0.188
1W5O Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations A129C, D131C and D139C) 提交 2004-08-09	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 蛋白同源多聚体同源多聚体；蛋白 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	突变：YES 突变：YES	GOL GLYCEROL × 8 K POTASSIUM ION × 8 MG MAGNESIUM ION × 8 ZN ZINC ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；SITTING DROP. DROPS WERE MIXED OF 3 MICROLITER OF PROTEIN SOLUTION (7 MG/ML PROTEIN, 50 MM NA-HEPES PH 7.5, 10MM MGCL2, 10MM ZNCL2, 10 MM DTT) PLUS 3 MICROLITER OF RESERVOIR SOLUTION (1M K/NA-TARTRATE, 100MM MES PH 6.0, 20MM BETA-MERCAPTOETHANOLE), 100 MICROLITER OF RESERVOIR SOLUTION, 96 WELL PLATES (NUNC)	分辨率 1.85 Å R-free 0.176
1W5P Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations A129C, D131C, D139C, P132E) 提交 2004-08-09	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 蛋白同源多聚体同源多聚体；蛋白 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	突变：YES 突变：YES	EDO 1,2-ETHANEDIOL × 20 FMT FORMIC ACID × 8 K POTASSIUM ION × 8 MG MAGNESIUM ION × 8 SO4 SULFATE ION × 8 GOL GLYCEROL × 24 ZN ZINC ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；SITTING DROP. DROPS WERE MIXED OF 3 MICROLITER OF PROTEIN SOLUTION (12 MG/ML PROTEIN, 50 MM NA-HEPES PH 7.5, 10MM MGCL2, 1MM ZNCL2, 10 MM DTT) PLUS 3 MICROLITER OF RESERVOIR SOLUTION (1M LITHIUM SULFATE, 100MM TRIS-HCL PH 8.5, 10MM NICKEL CHLORIDE), 100 MICROLITER OF RESERVOIR SOLUTION, 96 WELL PLATES (NUNC) IN AN ANAEROBIC BOX	分辨率 1.55 Å R-free 0.185
1W5Q Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations A129C, D131C, D139C, P132E, K229R) 提交 2004-08-09	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 蛋白同源多聚体同源多聚体；蛋白 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	突变：YES 突变：YES	FMT FORMIC ACID × 8 MG MAGNESIUM ION × 20 ZN ZINC ION × 8 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP. DROPS WERE MIXED OF 5 MICROLITER OF PROTEIN SOLUTION (10 MG/ML PROTEIN, 50 MM NA-HEPES PH 7.5, 10 MM MGCL2, 10 MICROM ZNCL2, 10 MM DTT) PLUS 5 MICROLITER OF RESERVOIR SOLUTION (30.0 % (W/V) PEG 400, 100MM NA-HEPES PH 7.5, 80 MM MGCL2, 20MM DTT) ON GLASS COVER SLIDES, HANGING ABOVE 500 MICROLITER OF RESERVOIR SOLUTION, IN AN ANAEROBIC BOX.	分辨率 1.40 Å R-free 0.173
2C13 5-hydroxy-levulinic acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa 提交 2005-09-11	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 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 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）	MG MAGNESIUM ION × 8 CL CHLORIDE ION × 8 PEG DI(HYDROXYETHYL)ETHER × 4 K POTASSIUM ION × 8 PGE TRIETHYLENE GLYCOL × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；HANGING DROP IN 24-WELL LIMBRO PLATES.DROPS MADE OF 5 MICROL PROTEIN SOLUTION (10 MG/ML PROTEIN, 0.05 M TRIS-HCL, PH 7.5, 0.005 M MGCL2, 0.01 M 5-OH-4-OXO-PENTANOIC ACID SODIUM SALT PLUS 5 MICROL RESERVOIR SOLUTION 9.0 % (W/V) PEG-4000, 0.180 M KCL, 0.009 M CACL2, 0.05 M NA-CACODYLATE PH 6.0	分辨率 2.15 Å R-free 0.204
2C14 5-(4-Carboxy-2-oxo-butylamino)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa 提交 2005-09-11	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 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 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）	MG MAGNESIUM ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP IN 24-WELL LIMBRO PLATES. DROPS MADE OF 5 MICROL PROTEIN SOLUTION (10 MG/ML PROTEIN, 50 MM TRIS-HCL, PH 7.5, 5 MM MGCL2, 1MM NACL, 1 MM 5-(4-CARBOXY-2-OXO-BUTYLAMINO)-4-OXO-PENTANOIC ACID MONOSODIUM SALT)) PLUS 5 MICROL RESERVOIR SOLUTION (18.0 % (W/V) PEG-3350, 200 MM LINO3)	分辨率 1.90 Å R-free 0.201
2C15 5-(4-Carboxy-2-oxo-butoxy)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa 提交 2005-09-11	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 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	MG MAGNESIUM ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP IN 24-WELL LIMBRO PLATES. DROPS MADE OF 5 MICROL PROTEIN SOLUTION (10 MG/ML PROTEIN, 100 MM TRIS-HCL, PH 7.5, 5 MM MGCL2, 5 MM 5-(4-CARBOXY-2-OXO-BUTOXY)-4-OXO-PENTANOIC ACID SODIUM SALT) PLUS 5 MICROL RESERVOIR SOLUTION (12.0 % (W/V) PEG-8000, 340 MM LI2SO4, 20% (V/V) GLYCEROL,)ABOVE 500 MICROL OF RESERVOIR SOLUTION.	分辨率 1.48 Å R-free 0.171
2C16 5-(4-Carboxy-2-oxo-butane-1-sulfinyl)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa 提交 2005-09-11	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 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	MG MAGNESIUM ION × 8 PGE TRIETHYLENE GLYCOL × 8 PEG DI(HYDROXYETHYL)ETHER × 12 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP IN 24-WELL LIMBRO PLATES. DROPS MADE OF 5 MICROL PROTEIN SOLUTION (10 MG/ML PROTEIN, 50 MM TRIS-HCL, PH 7.5, 5 MM MGCL2, 10 MM 5-(4-CARBOXY-2-OXO-BUTANE-1-SULFINYL)-4-OXO-PENTANOIC ACID DISODIUM SALT) PLUS 5 MICROL RESERVOIR SOLUTION (18.0 % (W/V) PEG-3350, 220 MM LICL) ABOVE 500 MICROL OF RESERVOIR SOLUTION.	分辨率 2.02 Å R-free 0.183
2C18 5-(4-Carboxy-2-oxo-butane-1-sulfonyl)-4-oxo-pentanoic acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa 提交 2005-09-11	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 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	MG MAGNESIUM ION × 28 NA SODIUM ION × 8 CL CHLORIDE ION × 8 PGE TRIETHYLENE GLYCOL × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP IN 24-WELL LIMBRO PLATES. DROPS MADE OF 5 MICROLITRES PROTEIN SOLUTION, 10 MG/ML PROTEIN, 50 MM TRIS-HCL, PH 7.5, 5 MM MGCL2, 10 MM 5-(4-CARBOXY-2-OXO-BUTANE-1-SULFONYL)-4-OXO-PENTANOIC ACID DISODIUM SALT) PLUS 5 MICROL RESERVOIR SOLUTION (31.0 % (V/V) PEG-400, 100 MM NA-HEPES PH 7.5, 180 MM MGCL2) ABOVE 500 MICROL OF RESERVOIR SOLUTION.	分辨率 1.93 Å R-free 0.186
2C19 5-(4-Carboxy-2-oxo-butylsulfanyl)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa 提交 2005-09-11	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 × 8 PDB 声明：octameric	链 A 1–337（337 aa）链 B 1–337（337 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	MG MAGNESIUM ION × 8 NA SODIUM ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP IN 24-WELL LIMBRO PLATES. DROPS MADE OF 5 MICROL PROTEIN SOLUTION (10 MG/ML PROTEIN, 50 MM TRIS-HCL, PH 7.5, 5 MM MGCL2, 10 MM 5-(4-CARBOXY-2-OXO-BUTYLSULFANYL)-4-OXO-PENTANOIC ACID DISODIUM SALT) PLUS 5 MICROL RESERVOIR SOLUTION (17.0 % (W/V) PEG-3350, 120 MM NA-TARTRATE) ABOVE 500 MICROL OF RESERVOIR SOLUTION.	分辨率 2.05 Å R-free 0.201

共 15 个其他 PDB 条目、15 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	HEM2_PSEAE
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–337； UniProt 1–337

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。

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	2woq
沉积日期 deposition_date	2009-07-27
结构标题 title	Porphobilinogen Synthase (HemB) in Complex with 5-acetamido-4- oxohexanoic acid (Alaremycin 2)
关键词 keywords	;LYASE-ANTIBIOTIC COMPLEX, LYASE ANTIBIOTIC COMPLEX, METAL-BINDING, HEME BIOSYNTHESIS, PORPHYRIN BIOSYNTHESIS, PORPOBILINOGEN SYNTHASE, HEMB, LYASE, INHIBITOR ;; LYASE/ANTIBIOTIC
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	22.08 Å
回转半径 Rg (电子) rg_electron	21.03 Å
零角强度 I(0) i0	24379100.00
分子量 molecular_weight	37438.0 kDa
排除体积 excluded_volume	46773 Å³
包络体积 envelope_volume	57126 Å³
水化壳体积 shell_volume	22796 Å³
包络直径 envelope_diameter	83.4 Å
壳层 Rg shell_rg	27.78 Å
包络 Rg envelope_rg	22.32 Å
形状 Rg shape_rg	21.04 Å
总 Rg total_rg	21.86 Å
总原子数 total_atoms	2628
残基数 n_residues	329
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	79.5 Å
Rg (实空间) rg_real	22.15 Å
Rg 误差 (实空间) rg_real_error	0.49 Å
I(0) (实空间) i0_real	2.4380e+07
I(0) 误差 (实空间) i0_real_error	2.8310e+05
Rg (倒空间) rg_reciprocal	22.14 Å
I(0) (倒空间) i0_reciprocal	24380000.0000
解质量估计 total_estimate	0.8144
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	27.3 Å
偏度 Skewness skewness	0.572
峰度 Kurtosis kurtosis	0.293
角度范围 angular_range	— – 0.3600 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	6686000.0000
实空间数据点数 n_real_points	68
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.574; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.917; Smooth: 0.942

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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 (6)

实体 1 Entity 1 polymer

描述 description	DELTA-AMINOLEVULINIC ACID DEHYDRATASE
分子量 formula_weight	37077.9 kDa
EC 编号 ec_number	4.2.1.24
来源方法 src_method	man
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	2963

MSFTPANRAYPYTRLRRNRRDDFSRRLVRENVLTVDDLILPVFVLDGVNQRESIPSMPGVERLSIDQLLIEAEEWVALGIPALALFPVTPVEKKSLDAAEAYNPEGIAQRATRALRERFPELGIITDVALDPFTTHGQDGILDDDGYVLNDVSIDVLVRQALSHAEAGAQVVAPSDMMDGRIGAIREALESAGHTNVRIMAYSAKYASAYYGPFRDAVGSASNLGKGNKATYQMDPANSDEALHEVAADLAEGADMVMVKPGMPYLDIVRRVKDEFRAPTFVYQVSGEYAMHMGAIQNGWLAESVILESLTAFKRAGADGILTYFAKQAAEQLRRGR

来源 Source

来源生物 organism	PSEUDOMONAS AERUGINOSA
NCBI 分类编号 ncbi_taxonomy_id	287
宿主生物 host_organism	ESCHERICHIA COLI

实体 2 Entity 2 non-polymer

描述 description	ALAREMYCIN 2
分子量 formula_weight	187.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 3 Entity 3 non-polymer

描述 description	MAGNESIUM ION
分子量 formula_weight	24.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 4 Entity 4 non-polymer

描述 description	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
分子量 formula_weight	238.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 5 Entity 5 non-polymer

描述 description	3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL
分子量 formula_weight	398.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 6 Entity 6 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	176

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7. 折叠分类 (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d2woqa_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.10 — Aldolase
家族 Family family	c.1.10.3 — 5-aminolaevulinate dehydratase, ALAD (porphobilinogen synthase)

CATH v4.4 (1 domains)

结构域编号 domain_id	2woqA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

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8. 引用文献 (1)

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晶胞边长 a length_a	84.444 Å
晶胞边长 b length_b	84.444 Å
晶胞边长 c length_c	158.528 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	90.00 °
晶胞分子数 Z z_pdb	16

空间群 space_group	I 4 2 2
空间群编号 int_tables_number	97
晶系 crystal_system	—

分辨率 resolution	1.750 Å
最低分辨率 resolution_low	25.310 Å
R 因子 r_factor	0.1474
R_work r_work	0.1456
R_free r_free	0.1797

fit	/app/data/saxs_computation/wo/2woq/2woq.fit
pddf	/app/data/pr_computation/wo/2woq/2woq.pr.out
profile	/app/data/saxs_computation/wo/2woq/2woq.dat

Porphobilinogen Synthase (HemB) in Complex with 5-acetamido-4- oxohexanoic acid (Alaremycin 2)