1wgc

2.2 ANGSTROMS RESOLUTION STRUCTURE ANALYSIS OF TWO REFINED N-ACETYLNEURAMINYLLACTOSE-WHEAT GERM AGGLUTININ ISOLECTIN COMPLEXES

Method: X-RAY DIFFRACTION D_max: 83.9 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

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1wgc
沉积日期 deposition_date	1990-04-03
结构标题 title	2.2 ANGSTROMS RESOLUTION STRUCTURE ANALYSIS OF TWO REFINED N-ACETYLNEURAMINYLLACTOSE-WHEAT GERM AGGLUTININ ISOLECTIN COMPLEXES
关键词 keywords	LECTIN (AGGLUTININ); LECTIN (AGGLUTININ)
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	24.59 Å
回转半径 Rg (电子) rg_electron	24.23 Å
零角强度 I(0) i0	30875400.00
分子量 molecular_weight	35383.0 kDa
排除体积 excluded_volume	41109 Å³
包络体积 envelope_volume	60606 Å³
水化壳体积 shell_volume	21605 Å³
包络直径 envelope_diameter	86.7 Å
壳层 Rg shell_rg	30.36 Å
包络 Rg envelope_rg	23.49 Å
形状 Rg shape_rg	24.28 Å
总 Rg total_rg	24.78 Å
总原子数 total_atoms	2412
残基数 n_residues	340
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	83.9 Å
Rg (实空间) rg_real	24.46 Å
Rg 误差 (实空间) rg_real_error	0.82 Å
I(0) (实空间) i0_real	3.0880e+07
I(0) 误差 (实空间) i0_real_error	4.2560e+05
Rg (倒空间) rg_reciprocal	24.49 Å
I(0) (倒空间) i0_reciprocal	30880000.0000
解质量估计 total_estimate	0.8771
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	33.3 Å
偏度 Skewness skewness	0.082
峰度 Kurtosis kurtosis	-0.404
角度范围 angular_range	— – 0.3250 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	758700.0000
实空间数据点数 n_real_points	64
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.805; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.993

▶

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

▶

5. 实体与聚合体信息 (3)

Entity 1 polymer

描述 description	WHEAT GERM LECTIN
分子量 formula_weight	17124.1 kDa
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	A,B
原子数 atom_count	2626

QRCGEQGSNMECPNNLCCSQYGYCGMGGDYCGKGCQNGACWTSKRCGSQAGGATCTNNQCCSQYGYCGFGAEYCGAGCQGGPCRADIKCGSQAGGKLCPNNLCCSQWGFCGLGSEFCGGGCQSGACSTDKPCGKDAGGRVCTNNYCCSKWGSCGIGPGYCGAGCQSGGCDG

来源 Source

来源生物 organism	Triticum aestivum
通用名 common_name	bread wheat
NCBI 分类编号 ncbi_taxonomy_id	4565

Entity 2 branched

描述 description	N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
分子量 formula_weight	633.6 kDa
来源方法 src_method	man
拷贝数 entity_count	2

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	214

▼

6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d1wgca1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.1 — Plant lectins/antimicrobial peptides
家族 Family family	g.3.1.1 — Hevein-like agglutinin (lectin) domain

结构域编号 domain_id	d1wgca2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.1 — Plant lectins/antimicrobial peptides
家族 Family family	g.3.1.1 — Hevein-like agglutinin (lectin) domain

结构域编号 domain_id	d1wgca3
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.1 — Plant lectins/antimicrobial peptides
家族 Family family	g.3.1.1 — Hevein-like agglutinin (lectin) domain

结构域编号 domain_id	d1wgca4
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.1 — Plant lectins/antimicrobial peptides
家族 Family family	g.3.1.1 — Hevein-like agglutinin (lectin) domain

结构域编号 domain_id	d1wgcb1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.1 — Plant lectins/antimicrobial peptides
家族 Family family	g.3.1.1 — Hevein-like agglutinin (lectin) domain

结构域编号 domain_id	d1wgcb2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.1 — Plant lectins/antimicrobial peptides
家族 Family family	g.3.1.1 — Hevein-like agglutinin (lectin) domain

结构域编号 domain_id	d1wgcb3
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.1 — Plant lectins/antimicrobial peptides
家族 Family family	g.3.1.1 — Hevein-like agglutinin (lectin) domain

结构域编号 domain_id	d1wgcb4
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.1 — Plant lectins/antimicrobial peptides
家族 Family family	g.3.1.1 — Hevein-like agglutinin (lectin) domain

CATH v4.4 (8 domains)

结构域编号 domain_id	1wgcA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Endochitinase-like

结构域编号 domain_id	1wgcA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Endochitinase-like

结构域编号 domain_id	1wgcA03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Endochitinase-like

结构域编号 domain_id	1wgcA04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Endochitinase-like

结构域编号 domain_id	1wgcB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Endochitinase-like

结构域编号 domain_id	1wgcB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Endochitinase-like

结构域编号 domain_id	1wgcB03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Endochitinase-like

结构域编号 domain_id	1wgcB04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Endochitinase-like

▶

7. 引用文献 (18)

2.2 A resolution structure analysis of two refined N-acetylneuraminyl-lactose--wheat germ agglutinin isolectin complexes.

J.Mol.Biol. (1990)

PMID: 2231724 · DOI: 10.1016/S0022-2836(05)80174-3 PRIMARY

Comparison of the Refined Crystal Structures of Two Wheat Germ Isolectins

J.Mol.Biol. (1989)

Sequence Variability in Three Wheat Germ Agglutinin Isolectins. Products of Multiple Genes in Polyploid Wheat

J.Mol.Evol. (1989)

Erratum. Refinement of the Crystal Structure of Wheat Germ Agglutinin Isolectin 2 at 1.8 Angstroms Resolution

J.Mol.Biol. (1988)

Refinement of the Crystal Structure of Wheat Germ Agglutinin Isolectin 2 at 1.8 Angstroms Resolution

J.Mol.Biol. (1987)

;Preliminary X-Ray Diffraction Results on Co-Crystals of Wheat Germ Agglutinin with a Sialoglycopeptide from the Red Cell Receptor Glycophorina ;

J.Mol.Biol. (1987)

Structural Differences in the Two Major Wheat Germ Agglutinin Isolectins

J.Biol.Chem. (1986)

Evolution of the Multidomain Protein Wheat Germ Agglutinin

J.Mol.Evol. (1985)

Structural Comparison of the Two Distinct Sugar Binding Sites in Wheat Germ Agglutinin Isolectin II

J.Mol.Biol. (1984)

Primary Structure of Wheat Germ Agglutinin Isolectin 2. Peptide Order Deduced from X-Ray Structure

Biochemistry (1984)

Histidine Determination in Wheat Germ Agglutinin Isolectin by X-Ray Diffraction Analysis

J.Mol.Biol. (1981)

Multi-Domain Structure of the Dimeric Lectin Wheat Germ Agglutinin

Biomolecular Structure, Conformation, Function and Evolution (1980)

;Location of the N-Acetyl-D-Neuraminic Acid Binding Site in Wheat Germ Agglutinin. A Crystallographic Study at 2.8 Angstroms Resolution ;

J.Mol.Biol. (1980)

The Toxin-Agglutinin Fold. A New Group of Small Protein Structures Organized Around a Four-Disulfide Core

J.Biol.Chem. (1980)

Crystallographic Elucidation of the Saccharide Binding Mode in Wheat Germ Agglutinin and its Biological Significance

J.Mol.Biol. (1980)

The Crystal Structure of Wheat Germ Agglutinin at 2.2 Angstroms Resolution

J.Mol.Biol. (1977)

Non-Crystallographic Symmetry in the Crystal Dimer of Wheat Germ Agglutinin

J.Mol.Biol. (1974)

A Preliminary Crystallographic Study of Wheat Germ Agglutinin