1m3d

Structure of Type IV Collagen NC1 Domains

Method: X-RAY DIFFRACTION D_max: 151.1 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	1m3d
沉积日期 deposition_date	2002-06-27
结构标题 title	Structure of Type IV Collagen NC1 Domains
关键词 keywords	Basement membrane, Type IV collagen, NC1 domain, Network assembly, 3D domain swapping, Br-MAD, 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	46.84 Å
回转半径 Rg (电子) rg_electron	46.99 Å
零角强度 I(0) i0	1441560000.00
分子量 molecular_weight	301020.0 kDa
排除体积 excluded_volume	368680 Å³
包络体积 envelope_volume	444810 Å³
水化壳体积 shell_volume	76864 Å³
包络直径 envelope_diameter	154.4 Å
壳层 Rg shell_rg	52.65 Å
包络 Rg envelope_rg	46.63 Å
形状 Rg shape_rg	46.97 Å
总 Rg total_rg	47.21 Å
总原子数 total_atoms	20843
残基数 n_residues	2681
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	151.1 Å
Rg (实空间) rg_real	47.00 Å
Rg 误差 (实空间) rg_real_error	1.16 Å
I(0) (实空间) i0_real	1.4420e+09
I(0) 误差 (实空间) i0_real_error	2.5380e+07
Rg (倒空间) rg_reciprocal	46.84 Å
I(0) (倒空间) i0_reciprocal	1441000000.0000
解质量估计 total_estimate	0.8430
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	40.0 Å
偏度 Skewness skewness	0.343
峰度 Kurtosis kurtosis	-0.714
角度范围 angular_range	— – 0.1700 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	1584000000.0000
实空间数据点数 n_real_points	35
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.816; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.521

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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	Type IV Collagen Noncollagenous Domain- Alpha1
分子量 formula_weight	25399.9 kDa
来源方法 src_method	nat
拷贝数 entity_count	8

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,D,E,G,H,J,K
原子数 atom_count	22023

SVDHGFLVTRHSQTTDDPQCPPGTKILYHGYSLLYVQGNERAHGQDLGTAGSCLRKFSTMPFLFCNINNVCNFASRNDYSYWLSTPEPMPMSMAPITGENIRPFISRCAVCEAPAMVMAVHSQTIQIPQCPTGWSSLWIGYSFVMHTSAGAEGSGQALASPGSCLEEFRSAPFIECHGRGTCNYYANAYSFWLATIERSEMFKKPTPSTLKAGELRTHVSRCQVCMRRT

Entity 2 polymer

描述 description	Type IV Collagen Noncollagenous Domain- Alpha2
分子量 formula_weight	25083.5 kDa
来源方法 src_method	nat
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	C,F,I,L

ISIGYLLVKHSQTDQEPMCPVGMNKLWSGYSLLYFEGQEKAHNQDLGLAGSCLARFSTMPFLYCNPGDVCYYASRNDKSYWLSTTAPLPMMPVAEEDIRPYISRCSVCEAPAVAIAVHSQDVSIPHCPAGWRSLWIGYSFLMHTAAGDEGGGQSLVSPGSCLEDFRATPFIECNGARGTCHYYANKYSFWLTTIPEQSFQGTPSADTLKAGLIRTHISRCQVCMKNL

Entity 3 non-polymer

描述 description	BROMIDE ION
分子量 formula_weight	79.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	36

Entity 4 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	8

Entity 5 non-polymer

描述 description	LUTETIUM (III) ION
分子量 formula_weight	175.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

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	1138

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6. 折叠分类 (SCOP + CATH) 36 domains

SCOP 2.08 (24 domains)

结构域编号 domain_id	d1m3da1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3da2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3db1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3db2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dc1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dc2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dd1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dd2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3de1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3de2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3df1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3df2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dg1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dg2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dh1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dh2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3di1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3di2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dj1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dj2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dk1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dk2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dl1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

结构域编号 domain_id	d1m3dl2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.6 — Noncollagenous (NC1) domain of collagen IV

CATH v4.4 (12 domains)

结构域编号 domain_id	1m3dA00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

结构域编号 domain_id	1m3dB00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

结构域编号 domain_id	1m3dC00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

结构域编号 domain_id	1m3dD00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

结构域编号 domain_id	1m3dE00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

结构域编号 domain_id	1m3dF00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

结构域编号 domain_id	1m3dG00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

结构域编号 domain_id	1m3dH00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

结构域编号 domain_id	1m3dI00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

结构域编号 domain_id	1m3dJ00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

结构域编号 domain_id	1m3dK00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

结构域编号 domain_id	1m3dL00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	240 — Noncollagenous (NC1) domain of collagen IV
同源超家族 H-superfamily homologous superfamily	10 — Collagen IV, non-collagenous

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7. 引用文献 (1)

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晶胞边长 a length_a	80.069 Å
晶胞边长 b length_b	137.963 Å
晶胞边长 c length_c	127.131 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.31 °
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	2.000 Å
最低分辨率 resolution_low	8.000 Å
R 因子 r_factor	0.1710
R_work r_work	0.1690
R_free r_free	0.1970

Structure of Type IV Collagen NC1 Domains

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 (6)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. 折叠分类 (SCOP + CATH) 36 domains

SCOP 2.08 (24 domains)

CATH v4.4 (12 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/m3/1m3d/1m3d.fit
pddf	/app/data/pr_computation/m3/1m3d/1m3d.pr.out
profile	/app/data/saxs_computation/m3/1m3d/1m3d.dat