1hyn

CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF HUMAN ERYTHROCYTE BAND-3 PROTEIN

Method: X-RAY DIFFRACTION D_max: 110.0 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	1hyn
沉积日期 deposition_date	2001-01-20
结构标题 title	CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF HUMAN ERYTHROCYTE BAND-3 PROTEIN
关键词 keywords	MEMBRANE PROTEIN; MEMBRANE 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	35.80 Å
回转半径 Rg (电子) rg_electron	34.63 Å
零角强度 I(0) i0	264995000.00
分子量 molecular_weight	132960.0 kDa
排除体积 excluded_volume	167130 Å³
包络体积 envelope_volume	212540 Å³
水化壳体积 shell_volume	49617 Å³
包络直径 envelope_diameter	112.7 Å
壳层 Rg shell_rg	42.75 Å
包络 Rg envelope_rg	34.10 Å
形状 Rg shape_rg	34.62 Å
总 Rg total_rg	35.23 Å
总原子数 total_atoms	9384
残基数 n_residues	1188
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	110.0 Å
Rg (实空间) rg_real	35.66 Å
Rg 误差 (实空间) rg_real_error	0.81 Å
I(0) (实空间) i0_real	2.6500e+08
I(0) 误差 (实空间) i0_real_error	4.7730e+06
Rg (倒空间) rg_reciprocal	35.75 Å
I(0) (倒空间) i0_reciprocal	265000000.0000
解质量估计 total_estimate	0.9048
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	47.5 Å
偏度 Skewness skewness	0.136
峰度 Kurtosis kurtosis	-0.642
角度范围 angular_range	— – 0.2200 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	124700000.0000
实空间数据点数 n_real_points	45
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.963; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.870

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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) 8 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d1hynp_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.112 — Phoshotransferase/anion transport protein
超家族 Superfamily superfamily	d.112.1 — Phoshotransferase/anion transport protein
家族 Family family	d.112.1.2 — Anion transport protein, cytoplasmic domain

结构域编号 domain_id	d1hynq_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.112 — Phoshotransferase/anion transport protein
超家族 Superfamily superfamily	d.112.1 — Phoshotransferase/anion transport protein
家族 Family family	d.112.1.2 — Anion transport protein, cytoplasmic domain

结构域编号 domain_id	d1hynr_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.112 — Phoshotransferase/anion transport protein
超家族 Superfamily superfamily	d.112.1 — Phoshotransferase/anion transport protein
家族 Family family	d.112.1.2 — Anion transport protein, cytoplasmic domain

结构域编号 domain_id	d1hyns_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.112 — Phoshotransferase/anion transport protein
超家族 Superfamily superfamily	d.112.1 — Phoshotransferase/anion transport protein
家族 Family family	d.112.1.2 — Anion transport protein, cytoplasmic domain

CATH v4.4 (4 domains)

结构域编号 domain_id	1hynP00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	930 — Mannitol-specific EII; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Mannitol-specific EII; Chain A

结构域编号 domain_id	1hynQ00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	930 — Mannitol-specific EII; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Mannitol-specific EII; Chain A

结构域编号 domain_id	1hynR00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	930 — Mannitol-specific EII; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Mannitol-specific EII; Chain A

结构域编号 domain_id	1hynS00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	930 — Mannitol-specific EII; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Mannitol-specific EII; Chain A

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7. 引用文献 (2)

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晶胞边长 a length_a	181.590 Å
晶胞边长 b length_b	92.580 Å
晶胞边长 c length_c	123.330 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	131.86 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	16

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	2.600 Å
最低分辨率 resolution_low	8.000 Å
R 因子 r_factor	—
R_work r_work	0.2160
R_free r_free	0.2900

描述 description	BAND 3 ANION TRANSPORT PROTEIN
分子量 formula_weight	42576.5 kDa
来源方法 src_method	man
拷贝数 entity_count	4

聚合体类型 type	polypeptide(L)
链编号 strand_id	P,Q,R,S
原子数 atom_count	9698

CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF HUMAN ERYTHROCYTE BAND-3 PROTEIN

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

来源 Source

Entity 2 water

6. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. 引用文献 (2)

8. 文件与曲线 (10)

Files (7)

Curves (3)

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

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	314

fit	/app/data/saxs_computation/hy/1hyn/1hyn.fit
pddf	/app/data/pr_computation/hy/1hyn/1hyn.pr.out
profile	/app/data/saxs_computation/hy/1hyn/1hyn.dat