1ict

MONOCLINIC FORM OF HUMAN TRANSTHYRETIN COMPLEXED WITH THYROXINE (T4)

Method: X-RAY DIFFRACTION D_max: 97.9 Å Quality: EXCELLENT

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	1ict
沉积日期 deposition_date	2001-04-02
结构标题 title	MONOCLINIC FORM OF HUMAN TRANSTHYRETIN COMPLEXED WITH THYROXINE (T4)
关键词 keywords	;ALBUMIN, TRANSPORT, AMYLOID, THYROID HORMONE, LIVER, PLASMA, POLYNEUROPATHY, THYROXINE, PREALBUMIN, GREEK KEY BETA BARREL, TRANSPORT PROTEIN ;; TRANSPORT PROTEIN
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	31.09 Å
回转半径 Rg (电子) rg_electron	30.06 Å
零角强度 I(0) i0	168642000.00
分子量 molecular_weight	102890.0 kDa
排除体积 excluded_volume	128280 Å³
包络体积 envelope_volume	161190 Å³
水化壳体积 shell_volume	43399 Å³
包络直径 envelope_diameter	98.5 Å
壳层 Rg shell_rg	38.30 Å
包络 Rg envelope_rg	29.97 Å
形状 Rg shape_rg	30.10 Å
总 Rg total_rg	30.67 Å
总原子数 total_atoms	7216
残基数 n_residues	928
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	97.9 Å
Rg (实空间) rg_real	30.96 Å
Rg 误差 (实空间) rg_real_error	0.69 Å
I(0) (实空间) i0_real	1.6860e+08
I(0) 误差 (实空间) i0_real_error	2.6740e+06
Rg (倒空间) rg_reciprocal	31.02 Å
I(0) (倒空间) i0_reciprocal	168700000.0000
解质量估计 total_estimate	0.9038
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	36.5 Å
偏度 Skewness skewness	0.189
峰度 Kurtosis kurtosis	-0.577
角度范围 angular_range	— – 0.2550 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	80390000.0000
实空间数据点数 n_real_points	52
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.930; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.957

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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 (2)

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6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d1icta_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.3 — Prealbumin-like
超家族 Superfamily superfamily	b.3.4 — Transthyretin (synonym: prealbumin)
家族 Family family	b.3.4.1 — Transthyretin (synonym: prealbumin)

结构域编号 domain_id	d1ictb_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.3 — Prealbumin-like
超家族 Superfamily superfamily	b.3.4 — Transthyretin (synonym: prealbumin)
家族 Family family	b.3.4.1 — Transthyretin (synonym: prealbumin)

结构域编号 domain_id	d1ictc_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.3 — Prealbumin-like
超家族 Superfamily superfamily	b.3.4 — Transthyretin (synonym: prealbumin)
家族 Family family	b.3.4.1 — Transthyretin (synonym: prealbumin)

结构域编号 domain_id	d1ictd_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.3 — Prealbumin-like
超家族 Superfamily superfamily	b.3.4 — Transthyretin (synonym: prealbumin)
家族 Family family	b.3.4.1 — Transthyretin (synonym: prealbumin)

结构域编号 domain_id	d1icte_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.3 — Prealbumin-like
超家族 Superfamily superfamily	b.3.4 — Transthyretin (synonym: prealbumin)
家族 Family family	b.3.4.1 — Transthyretin (synonym: prealbumin)

结构域编号 domain_id	d1ictf_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.3 — Prealbumin-like
超家族 Superfamily superfamily	b.3.4 — Transthyretin (synonym: prealbumin)
家族 Family family	b.3.4.1 — Transthyretin (synonym: prealbumin)

结构域编号 domain_id	d1ictg_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.3 — Prealbumin-like
超家族 Superfamily superfamily	b.3.4 — Transthyretin (synonym: prealbumin)
家族 Family family	b.3.4.1 — Transthyretin (synonym: prealbumin)

结构域编号 domain_id	d1icth_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.3 — Prealbumin-like
超家族 Superfamily superfamily	b.3.4 — Transthyretin (synonym: prealbumin)
家族 Family family	b.3.4.1 — Transthyretin (synonym: prealbumin)

CATH v4.4 (8 domains)

结构域编号 domain_id	1ictA00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	180 — Transthyretin/hydroxyisourate hydrolase domain

结构域编号 domain_id	1ictB00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	180 — Transthyretin/hydroxyisourate hydrolase domain

结构域编号 domain_id	1ictC00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	180 — Transthyretin/hydroxyisourate hydrolase domain

结构域编号 domain_id	1ictD00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	180 — Transthyretin/hydroxyisourate hydrolase domain

结构域编号 domain_id	1ictE00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	180 — Transthyretin/hydroxyisourate hydrolase domain

结构域编号 domain_id	1ictF00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	180 — Transthyretin/hydroxyisourate hydrolase domain

结构域编号 domain_id	1ictG00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	180 — Transthyretin/hydroxyisourate hydrolase domain

结构域编号 domain_id	1ictH00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	180 — Transthyretin/hydroxyisourate hydrolase domain

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7. 引用文献 (4)

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晶胞边长 a length_a	76.690 Å
晶胞边长 b length_b	96.660 Å
晶胞边长 c length_c	81.740 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	106.84 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	16

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	3.000 Å
最低分辨率 resolution_low	15.000 Å
R 因子 r_factor	0.2290
R_work r_work	0.2290
R_free r_free	0.2890

描述 description	TRANSTHYRETIN
分子量 formula_weight	13777.4 kDa
来源方法 src_method	nat
拷贝数 entity_count	8

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H
原子数 atom_count	7216

MONOCLINIC FORM OF HUMAN TRANSTHYRETIN COMPLEXED WITH THYROXINE (T4)

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 (2)

Entity 1 polymer

聚合体 Polymer

Entity 2 non-polymer

6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. 引用文献 (4)

8. 文件与曲线 (10)

Files (7)

Curves (3)

描述 description	3,5,3',5'-TETRAIODO-L-THYRONINE
分子量 formula_weight	776.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

fit	/app/data/saxs_computation/ic/1ict/1ict.fit
pddf	/app/data/pr_computation/ic/1ict/1ict.pr.out
profile	/app/data/saxs_computation/ic/1ict/1ict.dat