1f7t

HOLO-(ACYL CARRIER PROTEIN) SYNTHASE AT 1.8A

Method: X-RAY DIFFRACTION D_max: 107.7 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	1f7t
沉积日期 deposition_date	2000-06-27
结构标题 title	HOLO-(ACYL CARRIER PROTEIN) SYNTHASE AT 1.8A
关键词 keywords	9-strand pseudo beta barrel, LIPID SYNTHESIS, TRANSFERASE; TRANSFERASE
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	33.70 Å
回转半径 Rg (电子) rg_electron	33.25 Å
零角强度 I(0) i0	102406000.00
分子量 molecular_weight	81085.0 kDa
排除体积 excluded_volume	101760 Å³
包络体积 envelope_volume	130680 Å³
水化壳体积 shell_volume	33883 Å³
包络直径 envelope_diameter	118.3 Å
壳层 Rg shell_rg	38.50 Å
包络 Rg envelope_rg	33.10 Å
形状 Rg shape_rg	33.25 Å
总 Rg total_rg	33.68 Å
总原子数 total_atoms	5672
残基数 n_residues	713
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	107.7 Å
Rg (实空间) rg_real	33.86 Å
Rg 误差 (实空间) rg_real_error	0.89 Å
I(0) (实空间) i0_real	1.0240e+08
I(0) 误差 (实空间) i0_real_error	1.5560e+06
Rg (倒空间) rg_reciprocal	33.76 Å
I(0) (倒空间) i0_reciprocal	102400000.0000
解质量估计 total_estimate	0.8464
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	29.8 Å
偏度 Skewness skewness	0.393
峰度 Kurtosis kurtosis	-0.693
角度范围 angular_range	— – 0.2350 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	32250000.0000
实空间数据点数 n_real_points	48
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.810; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.808; Smooth: 0.762

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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 (6)

Entity 1 polymer

描述 description	HOLO-(ACYL CARRIER PROTEIN) SYNTHASE
分子量 formula_weight	13691.7 kDa
EC 编号 ec_number	2.7.8.7
突变 mutation	Q96P
来源方法 src_method	man
拷贝数 entity_count	6

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F
原子数 atom_count	6141

GGIYGIGLDITELKRIASMAGRQKRFAERILTRSELDQYYELSEKRKNEFLAGRFAAKEAFSKAFGTGIGRQLSFQDIEIRKDQNGKPYIICTKLSPAAVHVSITHTKEYAAAQVVIERLSS

来源 Source

来源生物 organism	Bacillus subtilis
NCBI 分类编号 ncbi_taxonomy_id	1423
宿主生物 host_organism	Escherichia coli

Entity 2 non-polymer

描述 description	SODIUM ION
分子量 formula_weight	23.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	8

Entity 3 non-polymer

描述 description	CHLORIDE ION
分子量 formula_weight	35.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	19

Entity 4 non-polymer

描述 description	2,3-DIHYDROXY-1,4-DITHIOBUTANE
分子量 formula_weight	154.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

Entity 5 non-polymer

描述 description	GLYCEROL
分子量 formula_weight	92.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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	469

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6. 折叠分类 (SCOP + CATH) 18 domains

SCOP 2.08 (12 domains)

结构域编号 domain_id	d1f7ta1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.150 — 4'-phosphopantetheinyl transferase
超家族 Superfamily superfamily	d.150.1 — 4'-phosphopantetheinyl transferase
家族 Family family	d.150.1.2 — Holo-(acyl carrier protein) synthase ACPS

结构域编号 domain_id	d1f7ta2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1f7tb1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.150 — 4'-phosphopantetheinyl transferase
超家族 Superfamily superfamily	d.150.1 — 4'-phosphopantetheinyl transferase
家族 Family family	d.150.1.2 — Holo-(acyl carrier protein) synthase ACPS

结构域编号 domain_id	d1f7tb2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1f7tc1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.150 — 4'-phosphopantetheinyl transferase
超家族 Superfamily superfamily	d.150.1 — 4'-phosphopantetheinyl transferase
家族 Family family	d.150.1.2 — Holo-(acyl carrier protein) synthase ACPS

结构域编号 domain_id	d1f7tc2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1f7td1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.150 — 4'-phosphopantetheinyl transferase
超家族 Superfamily superfamily	d.150.1 — 4'-phosphopantetheinyl transferase
家族 Family family	d.150.1.2 — Holo-(acyl carrier protein) synthase ACPS

结构域编号 domain_id	d1f7td2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1f7te1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.150 — 4'-phosphopantetheinyl transferase
超家族 Superfamily superfamily	d.150.1 — 4'-phosphopantetheinyl transferase
家族 Family family	d.150.1.2 — Holo-(acyl carrier protein) synthase ACPS

结构域编号 domain_id	d1f7te2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1f7tf1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.150 — 4'-phosphopantetheinyl transferase
超家族 Superfamily superfamily	d.150.1 — 4'-phosphopantetheinyl transferase
家族 Family family	d.150.1.2 — Holo-(acyl carrier protein) synthase ACPS

结构域编号 domain_id	d1f7tf2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

CATH v4.4 (6 domains)

结构域编号 domain_id	1f7tA00
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	1f7tB00
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	1f7tC00
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	1f7tD00
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	1f7tE00
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	1f7tF00
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

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7. 引用文献 (1)

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晶胞边长 a length_a	76.262 Å
晶胞边长 b length_b	76.160 Å
晶胞边长 c length_c	85.693 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	93.32 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	12

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	1.800 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	0.1970
R_work r_work	0.1960
R_free r_free	0.2190

fit	/app/data/saxs_computation/f7/1f7t/1f7t.fit
pddf	/app/data/pr_computation/f7/1f7t/1f7t.pr.out
profile	/app/data/saxs_computation/f7/1f7t/1f7t.dat