1mk9

CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA

Method: X-RAY DIFFRACTION D_max: 96.7 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	1mk9
沉积日期 deposition_date	2002-08-28
结构标题 title	CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA
关键词 keywords	FOCAL ADHESION, INTEGRIN BINDING, FERM DOMAIN, CYTOSKELETON NPXY MOTIF, PTB DOMAIN, structural protein; STRUCTURAL 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	31.49 Å
回转半径 Rg (电子) rg_electron	30.60 Å
零角强度 I(0) i0	133686000.00
分子量 molecular_weight	93810.0 kDa
排除体积 excluded_volume	118570 Å³
包络体积 envelope_volume	159300 Å³
水化壳体积 shell_volume	43365 Å³
包络直径 envelope_diameter	103.9 Å
壳层 Rg shell_rg	37.92 Å
包络 Rg envelope_rg	29.92 Å
形状 Rg shape_rg	30.60 Å
总 Rg total_rg	31.30 Å
总原子数 total_atoms	6609
残基数 n_residues	813
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	96.7 Å
Rg (实空间) rg_real	31.33 Å
Rg 误差 (实空间) rg_real_error	0.57 Å
I(0) (实空间) i0_real	1.3370e+08
I(0) 误差 (实空间) i0_real_error	2.0750e+06
Rg (倒空间) rg_reciprocal	31.40 Å
I(0) (倒空间) i0_reciprocal	133700000.0000
解质量估计 total_estimate	0.9016
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	40.6 Å
偏度 Skewness skewness	0.181
峰度 Kurtosis kurtosis	-0.425
角度范围 angular_range	— – 0.2500 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	15440000.0000
实空间数据点数 n_real_points	51
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.930

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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 (3)

Entity 1 polymer

描述 description	Integrin Beta3
分子量 formula_weight	1836.0 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,C,E,G
原子数 atom_count	6640

GSHMWDTANNPLYKEA

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 BL21(DE3)

Entity 2 polymer

描述 description	TALIN
分子量 formula_weight	22150.7 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	B,D,F,H

PVQLNLLYVQARDDILNGSHPVSFDKACEFAGYQCQIQFGPHNEQKHKPGFLELKDFLPKEYIKQKGERKIFMAHKNCGNMSEIEAKVRYVKLARSLKTYGVSFFLVKEKMKGKNKLVPRLLGITKECVMRVDEKTKEVIQEWSLTNIKRWAASPKSFTLDFGDYQDGYYSVQTTEGEQIAQLIAGYIDIIL

来源 Source

来源生物 organism	Gallus gallus
通用名 common_name	chicken
NCBI 分类编号 ncbi_taxonomy_id	9031
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 3 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	31

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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	d1mk9b1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.11 — Acyl-CoA binding protein-like
超家族 Superfamily superfamily	a.11.2 — Second domain of FERM
家族 Family family	a.11.2.1 — Second domain of FERM

结构域编号 domain_id	d1mk9b2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.55 — PH domain-like barrel
超家族 Superfamily superfamily	b.55.1 — PH domain-like
家族 Family family	b.55.1.5 — Third domain of FERM

结构域编号 domain_id	d1mk9d1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.11 — Acyl-CoA binding protein-like
超家族 Superfamily superfamily	a.11.2 — Second domain of FERM
家族 Family family	a.11.2.1 — Second domain of FERM

结构域编号 domain_id	d1mk9d2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.55 — PH domain-like barrel
超家族 Superfamily superfamily	b.55.1 — PH domain-like
家族 Family family	b.55.1.5 — Third domain of FERM

结构域编号 domain_id	d1mk9f1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.11 — Acyl-CoA binding protein-like
超家族 Superfamily superfamily	a.11.2 — Second domain of FERM
家族 Family family	a.11.2.1 — Second domain of FERM

结构域编号 domain_id	d1mk9f2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.55 — PH domain-like barrel
超家族 Superfamily superfamily	b.55.1 — PH domain-like
家族 Family family	b.55.1.5 — Third domain of FERM

结构域编号 domain_id	d1mk9h1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.11 — Acyl-CoA binding protein-like
超家族 Superfamily superfamily	a.11.2 — Second domain of FERM
家族 Family family	a.11.2.1 — Second domain of FERM

结构域编号 domain_id	d1mk9h2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.55 — PH domain-like barrel
超家族 Superfamily superfamily	b.55.1 — PH domain-like
家族 Family family	b.55.1.5 — Third domain of FERM

CATH v4.4 (8 domains)

结构域编号 domain_id	1mk9B01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	80 — Acyl-CoA Binding Protein
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1mk9B02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	29 — PH-domain like
同源超家族 H-superfamily homologous superfamily	30 — Pleckstrin-homology domain (PH domain)/Phosphotyrosine-binding domain (PTB)

结构域编号 domain_id	1mk9D01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	80 — Acyl-CoA Binding Protein
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1mk9D02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	29 — PH-domain like
同源超家族 H-superfamily homologous superfamily	30 — Pleckstrin-homology domain (PH domain)/Phosphotyrosine-binding domain (PTB)

结构域编号 domain_id	1mk9F01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	80 — Acyl-CoA Binding Protein
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1mk9F02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	29 — PH-domain like
同源超家族 H-superfamily homologous superfamily	30 — Pleckstrin-homology domain (PH domain)/Phosphotyrosine-binding domain (PTB)

结构域编号 domain_id	1mk9H01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	80 — Acyl-CoA Binding Protein
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1mk9H02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	29 — PH-domain like
同源超家族 H-superfamily homologous superfamily	30 — Pleckstrin-homology domain (PH domain)/Phosphotyrosine-binding domain (PTB)

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7. 引用文献 (1)

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晶胞边长 a length_a	50.257 Å
晶胞边长 b length_b	141.763 Å
晶胞边长 c length_c	59.597 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.11 °
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	2.800 Å
最低分辨率 resolution_low	29.830 Å
R 因子 r_factor	0.2420
R_work r_work	0.2420
R_free r_free	0.3270

fit	/app/data/saxs_computation/mk/1mk9/1mk9.fit
pddf	/app/data/pr_computation/mk/1mk9/1mk9.pr.out
profile	/app/data/saxs_computation/mk/1mk9/1mk9.dat

CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA

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 (3)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 water

6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)