2cg5

;Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex with cytosolic acyl carrier protein and coenzyme A ;

Method: X-RAY DIFFRACTION D_max: 81.1 Å Quality: GOOD

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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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2cg5
沉积日期 deposition_date	2006-02-27
结构标题 title	;Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex with cytosolic acyl carrier protein and coenzyme A ;
关键词 keywords	;TRANSFERASE-HYDROLASE COMPLEX, TRANSFERASE-HYDROLASE (COMPLEX), FATTY ACID BIOSYNTHESIS, PHOSPHOPANTETHEINE TRANSFERASE, FASN, ACP, COENZYME A, TRANSFERASE, HYDROLASE, LIPID SYNTHESIS, LYASE, COMPLEX ;; TRANSFERASE/HYDROLASE
实验方法 method	X-RAY DIFFRACTION

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2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	21.06 Å
回转半径 Rg (电子) rg_electron	20.03 Å
零角强度 I(0) i0	24101600.00
分子量 molecular_weight	37844.0 kDa
排除体积 excluded_volume	47456 Å³
包络体积 envelope_volume	55027 Å³
水化壳体积 shell_volume	22492 Å³
包络直径 envelope_diameter	79.8 Å
壳层 Rg shell_rg	27.12 Å
包络 Rg envelope_rg	20.62 Å
形状 Rg shape_rg	20.06 Å
总 Rg total_rg	20.89 Å
总原子数 total_atoms	2665
残基数 n_residues	337
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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3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	81.1 Å
Rg (实空间) rg_real	20.98 Å
Rg 误差 (实空间) rg_real_error	0.74 Å
I(0) (实空间) i0_real	2.4100e+07
I(0) 误差 (实空间) i0_real_error	3.5010e+05
Rg (倒空间) rg_reciprocal	20.99 Å
I(0) (倒空间) i0_reciprocal	24100000.0000
解质量估计 total_estimate	0.8019
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	23.9 Å
偏度 Skewness skewness	0.277
峰度 Kurtosis kurtosis	-0.297
角度范围 angular_range	— – 0.3750 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	13680000.0000
实空间数据点数 n_real_points	69
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.519; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.866; Smooth: 1.000

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4. 晶体学与实验 4. Crystallography & Experiment

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5. 实体与聚合体信息 (7)

Entity 1 polymer

描述 description	L-AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE-PHOSPHOPANTETHEINYL TRANSFERASE
分子量 formula_weight	37051.9 kDa
EC 编号 ec_number	1.2.1.31
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	2708

MGSSHHHHHHHSSGRENLYFQGHMEGVRWAFSCGTWLPSRAEWLLAVRSIQPEEKERIGQFVFARDAKAAMAGRLMIRKLVAEKLNIPWNHIRLQRTAKGKPVLAKDSSNPYPNFNFNISHQGDYAVLAAEPELQVGIDIMKTSFPGRGSIPEFFHIMKRKFTNKEWETIRSFKDEWTQLDMFYRNWALKESFIKAIGVGLGFELQRLEFDLSPLNLDIGQVYKETRLFLDGEEEKEWAFEESKIDEHHFVAVALRKPDGSRHQDVPSQDDSKPTQRQFTILNFNDLMSSAVPMTPEDPSFWDCFCFTEEIPIRNGTKS

来源 Source

来源生物 organism	HOMO SAPIENS
通用名 common_name	HUMAN
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	ESCHERICHIA COLI

Entity 2 polymer

描述 description	FATTY ACID SYNTHASE
分子量 formula_weight	10065.4 kDa
EC 编号 ec_number	2.3.1.85
突变 mutation	YES
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B

GTRDRDSQRDLVEAVAHILGIRDLAAVNLDSSLADLGLDALMSVEVRQTLERELNLVLSVREVRQLTLRKLQELSSKADEASELACPTPKE

来源 Source

来源生物 organism	HOMO SAPIENS
通用名 common_name	HUMAN
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	ESCHERICHIA COLI

Entity 3 non-polymer

描述 description	COENZYME A
分子量 formula_weight	767.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 4 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	2

Entity 5 non-polymer

描述 description	NICKEL (II) ION
分子量 formula_weight	58.7 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 6 non-polymer

描述 description	PHOSPHATE ION
分子量 formula_weight	95.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 7 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	24

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6. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d2cg5b_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.28 — Acyl carrier protein-like
超家族 Superfamily superfamily	a.28.1 — ACP-like
家族 Family family	a.28.1.1 — Acyl-carrier protein (ACP)

CATH v4.4 (3 domains)

结构域编号 domain_id	2cg5A01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	470 — Ribosomal Protein L22; Chain A
同源超家族 H-superfamily homologous superfamily	20 — 4'-phosphopantetheinyl transferase domain

结构域编号 domain_id	2cg5A02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	470 — Ribosomal Protein L22; Chain A
同源超家族 H-superfamily homologous superfamily	20 — 4'-phosphopantetheinyl transferase domain

结构域编号 domain_id	2cg5B00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1200 — Non-ribosomal Peptide Synthetase Peptidyl Carrier Protein; Chain A
同源超家族 H-superfamily homologous superfamily	10 — ACP-like

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7. 引用文献 (1)

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晶胞边长 a length_a	69.361 Å
晶胞边长 b length_b	69.361 Å
晶胞边长 c length_c	184.715 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	6

空间群 space_group	P 32 2 1
空间群编号 int_tables_number	154
晶系 crystal_system	—

分辨率 resolution	2.700 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	0.1950
R_work r_work	0.1920
R_free r_free	0.2470

fit	/app/data/saxs_computation/cg/2cg5/2cg5.fit
pddf	/app/data/pr_computation/cg/2cg5/2cg5.pr.out
profile	/app/data/saxs_computation/cg/2cg5/2cg5.dat

;Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex with cytosolic acyl carrier protein and coenzyme A ;

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

1. 结构基本信息 1. Structure Basics

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

4. 晶体学与实验 4. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

5. 实体与聚合体信息 (7)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 water

6. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (1 domains)

CATH v4.4 (3 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)