SAXSdb — 2dwx

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2dwx
沉积日期 deposition_date	2006-08-21
结构标题 title	Co-crystal Structure Analysis of GGA1-GAE with the WNSF motif
关键词 keywords	IG FOLD, ADAPTIN, PROTEIN TRANSPORT; PROTEIN TRANSPORT
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	28.14 Å
回转半径 Rg (电子) rg_electron	27.26 Å
零角强度 I(0) i0	50569000.00
分子量 molecular_weight	58232.0 kDa
排除体积 excluded_volume	74142 Å³
包络体积 envelope_volume	91965 Å³
水化壳体积 shell_volume	28822 Å³
包络直径 envelope_diameter	101.2 Å
壳层 Rg shell_rg	33.64 Å
包络 Rg envelope_rg	27.28 Å
形状 Rg shape_rg	27.25 Å
总 Rg total_rg	28.00 Å
总原子数 total_atoms	4113
残基数 n_residues	520
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	97.7 Å
Rg (实空间) rg_real	28.24 Å
Rg 误差 (实空间) rg_real_error	0.80 Å
I(0) (实空间) i0_real	5.0570e+07
I(0) 误差 (实空间) i0_real_error	7.2240e+05
Rg (倒空间) rg_reciprocal	28.21 Å
I(0) (倒空间) i0_reciprocal	50570000.0000
解质量估计 total_estimate	0.8572
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	31.4 Å
偏度 Skewness skewness	0.424
峰度 Kurtosis kurtosis	-0.323
角度范围 angular_range	— – 0.2800 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	12240000.0000
实空间数据点数 n_real_points	57
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.777; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.896; Smooth: 0.912

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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	ADP-ribosylation factor-binding protein GGA1
分子量 formula_weight	14891.3 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	4235

IKPSNILPVTVYDQHGFRILFHFARDPLPGRSDVLVVVVSMLSTAPQPIRNIVFQSAVPKVMKVKLQPPSGTELPAFNPIVHPSAITQVLLLANPQKEKVRLRYKLTFTMGDQTYNEMGDVDQFPPPETWGSL

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	hinge peptide from ADP-ribosylation factor binding protein GGA1
分子量 formula_weight	1385.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	P,Q

SLDGTGWNSFQSS

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	122

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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	d2dwxa_
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.1.10 — Clathrin adaptor appendage domain
家族 Family family	b.1.10.2 — gamma-adaptin C-terminal appendage domain-like

结构域编号 domain_id	d2dwxb_
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.1.10 — Clathrin adaptor appendage domain
家族 Family family	b.1.10.2 — gamma-adaptin C-terminal appendage domain-like

结构域编号 domain_id	d2dwxc_
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.1.10 — Clathrin adaptor appendage domain
家族 Family family	b.1.10.2 — gamma-adaptin C-terminal appendage domain-like

结构域编号 domain_id	d2dwxd_
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.1.10 — Clathrin adaptor appendage domain
家族 Family family	b.1.10.2 — gamma-adaptin C-terminal appendage domain-like

CATH v4.4 (4 domains)

结构域编号 domain_id	2dwxA00
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	1230 — Gamma-adaptin ear (GAE) domain

结构域编号 domain_id	2dwxB00
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	1230 — Gamma-adaptin ear (GAE) domain

结构域编号 domain_id	2dwxC00
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	1230 — Gamma-adaptin ear (GAE) domain

结构域编号 domain_id	2dwxD00
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	1230 — Gamma-adaptin ear (GAE) domain

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7. 引用文献 (1)

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晶胞边长 a length_a	48.220 Å
晶胞边长 b length_b	69.620 Å
晶胞边长 c length_c	184.967 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	16

空间群 space_group	P 21 21 21
空间群编号 int_tables_number	19
晶系 crystal_system	—

分辨率 resolution	2.550 Å
最低分辨率 resolution_low	38.630 Å
R 因子 r_factor	0.2410
R_work r_work	0.2380
R_free r_free	0.2870

fit	/app/data/saxs_computation/dw/2dwx/2dwx.fit
pddf	/app/data/pr_computation/dw/2dwx/2dwx.pr.out
profile	/app/data/saxs_computation/dw/2dwx/2dwx.dat

Co-crystal Structure Analysis of GGA1-GAE with the WNSF motif

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

Entity 3 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 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)