2f8v

Structure of full length telethonin in complex with the N-terminus of titin

Method: X-RAY DIFFRACTION D_max: 168.7 Å Quality: REASONABLE

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

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2f8v
沉积日期 deposition_date	2005-12-04
结构标题 title	Structure of full length telethonin in complex with the N-terminus of titin
关键词 keywords	Sarcomere, Titin, Z1Z2, Telethonin, CONTRACTILE PROTEIN-CONTRACTILE PROTEIN COMPLEX; CONTRACTILE PROTEIN/CONTRACTILE PROTEIN
实验方法 method	X-RAY DIFFRACTION

▼

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

回转半径 Rg (Guinier) rg_guinier	43.78 Å
回转半径 Rg (电子) rg_electron	44.58 Å
零角强度 I(0) i0	173754000.00
分子量 molecular_weight	103770.0 kDa
排除体积 excluded_volume	128740 Å³
包络体积 envelope_volume	182690 Å³
水化壳体积 shell_volume	39920 Å³
包络直径 envelope_diameter	177.5 Å
壳层 Rg shell_rg	41.14 Å
包络 Rg envelope_rg	44.55 Å
形状 Rg shape_rg	44.59 Å
总 Rg total_rg	44.34 Å
总原子数 total_atoms	7305
残基数 n_residues	951
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

▼

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

最大尺寸 Dmax dmax	168.7 Å
Rg (实空间) rg_real	44.57 Å
Rg 误差 (实空间) rg_real_error	2.79 Å
I(0) (实空间) i0_real	1.7380e+08
I(0) 误差 (实空间) i0_real_error	3.5620e+06
Rg (倒空间) rg_reciprocal	43.79 Å
I(0) (倒空间) i0_reciprocal	173600000.0000
解质量估计 total_estimate	0.7218
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	37.5 Å
偏度 Skewness skewness	0.732
峰度 Kurtosis kurtosis	0.113
角度范围 angular_range	— – 0.1800 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	11520000.0000
实空间数据点数 n_real_points	37
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.480; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.335; Smooth: 0.606

▶

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

▶

5. 实体与聚合体信息 (4)

Entity 1 polymer

描述 description	N2B-Titin Isoform
分子量 formula_weight	21583.0 kDa
来源方法 src_method	man
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	7409

MTTQAPTFTQPLQSVVVLEGSTATFEAHISGFPVPEVSWFRDGQVISTSTLPGVQISFSDGRAKLTIPAVTKANSGRYSLKATNGSGQATSTAELLVKAETAPPNFVQRLQSMTVRQGSQVRLQVRVTGIPTPVVKFYRDGAEIQSSLDFQISQEGDLYSLLIAEAYPEDSGTYSVNATNSVGRATSTAELLVQGETREEF

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	Telethonin
分子量 formula_weight	18993.3 kDa
突变 mutation	C8S, C15S, C38S, C57S, C127S
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	T,Y

MATSELSSEVSEENSERREAFWAEWKDLTLSTRPEEGSSLHEEDTQRHETYHQQGQSQVLVQRSPWLMMRMGILGRGLQEYQLPYQRVLPLPIFTPAKMGATKEEREDTPIQLQELLALETALGGQSVDRQEVAEITKQLPPVVPVSKPGALRRSLSRSMSQEAQRG

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	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

Entity 4 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	79

▼

6. 折叠分类 (SCOP + CATH) 19 domains

SCOP 2.08 (9 domains)

结构域编号 domain_id	d2f8va1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d2f8va2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d2f8vb1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d2f8vb2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d2f8vb3
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	d2f8vc1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d2f8vc2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d2f8vd1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d2f8vd2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

CATH v4.4 (10 domains)

结构域编号 domain_id	2f8vA01
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	10 — Immunoglobulins

结构域编号 domain_id	2f8vA02
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	10 — Immunoglobulins

结构域编号 domain_id	2f8vB01
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	10 — Immunoglobulins

结构域编号 domain_id	2f8vB02
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	10 — Immunoglobulins

结构域编号 domain_id	2f8vC01
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	10 — Immunoglobulins

结构域编号 domain_id	2f8vC02
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	10 — Immunoglobulins

结构域编号 domain_id	2f8vD01
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	10 — Immunoglobulins

结构域编号 domain_id	2f8vD02
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	10 — Immunoglobulins

结构域编号 domain_id	2f8vT01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	20 — Single Sheet
拓扑 Topology topology	160 — titin filament fold
同源超家族 H-superfamily homologous superfamily	10 — titin domain like

结构域编号 domain_id	2f8vY01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	20 — Single Sheet
拓扑 Topology topology	160 — titin filament fold
同源超家族 H-superfamily homologous superfamily	10 — titin domain like

▶

7. 引用文献 (1)

▶

晶胞边长 a length_a	112.513 Å
晶胞边长 b length_b	46.885 Å
晶胞边长 c length_c	128.033 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	98.30 °
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	2.750 Å
最低分辨率 resolution_low	23.900 Å
R 因子 r_factor	0.2673
R_work r_work	0.2667
R_free r_free	0.2873

fit	/app/data/saxs_computation/f8/2f8v/2f8v.fit
pddf	/app/data/pr_computation/f8/2f8v/2f8v.pr.out
profile	/app/data/saxs_computation/f8/2f8v/2f8v.dat

Structure of full length telethonin in complex with the N-terminus of titin

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 (4)

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 water

6. 折叠分类 (SCOP + CATH) 19 domains

SCOP 2.08 (9 domains)

CATH v4.4 (10 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)