2dlc

Crystal structure of the ternary complex of yeast tyrosyl-tRNA synthetase

Method: X-RAY DIFFRACTION D_max: 95.3 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	2dlc
沉积日期 deposition_date	2006-04-18
结构标题 title	Crystal structure of the ternary complex of yeast tyrosyl-tRNA synthetase
关键词 keywords	TyrRS, tRNA, LIGASE-tRNA COMPLEX; LIGASE/tRNA
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	29.82 Å
回转半径 Rg (电子) rg_electron	28.58 Å
零角强度 I(0) i0	93703700.00
分子量 molecular_weight	61197.0 kDa
排除体积 excluded_volume	69981 Å³
包络体积 envelope_volume	98553 Å³
水化壳体积 shell_volume	29376 Å³
包络直径 envelope_diameter	101.5 Å
壳层 Rg shell_rg	35.15 Å
包络 Rg envelope_rg	28.04 Å
形状 Rg shape_rg	28.48 Å
总 Rg total_rg	29.35 Å
总原子数 total_atoms	4206
残基数 n_residues	403
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	95.3 Å
Rg (实空间) rg_real	29.77 Å
Rg 误差 (实空间) rg_real_error	0.73 Å
I(0) (实空间) i0_real	9.3700e+07
I(0) 误差 (实空间) i0_real_error	1.4350e+06
Rg (倒空间) rg_reciprocal	29.80 Å
I(0) (倒空间) i0_reciprocal	93710000.0000
解质量估计 total_estimate	0.9094
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	39.6 Å
偏度 Skewness skewness	0.183
峰度 Kurtosis kurtosis	-0.571
角度范围 angular_range	— – 0.2650 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	4930000.0000
实空间数据点数 n_real_points	54
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.954; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.969

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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 (5)

Entity 1 polymer

描述 description	T-RNA (76-MER)
分子量 formula_weight	24717.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polyribonucleotide
链编号 strand_id	Y
原子数 atom_count	4263

CUCUCGGUAGCCAAGUUGGGAAGGCGCAAGACUGUAAAUCUUGAGGUCGGGCGUUCGACUCGCCCCCGGGAGACCA

Entity 2 polymer

描述 description	Tyrosyl-tRNA synthetase, cytoplasmic
分子量 formula_weight	44076.9 kDa
EC 编号 ec_number	6.1.1.1
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	X

MSSAATVDPNEAFGLITKNLQEVLNPQIIKDVLEVQKRHLKLYWGTAPTGRPHCGYFVPMTKLADFLKAGCEVTVLLADLHAFLDNMKAPLEVVNYRAKYYELTIKAILRSINVPIEKLKFVVGSSYQLTPDYTMDIFRLSNIVSQNDAKRAGADVVKQVANPLLSGLIYPLMQALDEQFLDVDCQFGGVDQRKIFVLAEENLPSLGYKKRAHLMNPMVPGLAQGGKMSASDPNSKIDLLEEPKQVKKKINSAFCSPGNVEENGLLSFVQYVIAPIQELKFGTNHFEFFIDRPEKFGGPITYKSFEEMKLAFKEEKLSPPDLKIGVADAINELLEPIRQEFANNKEFQEASEKGYPVATPQKSKKAKKPKNKGTKYPGATKTNEIATKLEETKL

来源 Source

来源生物 organism	Saccharomyces cerevisiae
通用名 common_name	;baker's yeast ;
NCBI 分类编号 ncbi_taxonomy_id	4932
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 3 non-polymer

描述 description	MAGNESIUM ION
分子量 formula_weight	24.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 4 non-polymer

描述 description	O-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATE
分子量 formula_weight	509.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 5 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	57

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6. 折叠分类 (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d2dlcx_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.26 — Adenine nucleotide alpha hydrolase-like
超家族 Superfamily superfamily	c.26.1 — Nucleotidylyl transferase
家族 Family family	c.26.1.0 — automated matches

CATH v4.4 (2 domains)

结构域编号 domain_id	2dlcX01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	620 — HUPs

结构域编号 domain_id	2dlcX02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	240 — Tyrosyl-Transfer RNA Synthetase
同源超家族 H-superfamily homologous superfamily	10 — Tyrosyl-Transfer RNA Synthetase

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7. 引用文献 (1)

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晶胞边长 a length_a	63.854 Å
晶胞边长 b length_b	63.854 Å
晶胞边长 c length_c	330.334 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	8

空间群 space_group	P 41 21 2
空间群编号 int_tables_number	92
晶系 crystal_system	—

分辨率 resolution	2.400 Å
最低分辨率 resolution_low	40.000 Å
R 因子 r_factor	0.2471
R_work r_work	0.2449
R_free r_free	0.2889

fit	/app/data/saxs_computation/dl/2dlc/2dlc.fit
pddf	/app/data/pr_computation/dl/2dlc/2dlc.pr.out
profile	/app/data/saxs_computation/dl/2dlc/2dlc.dat

Crystal structure of the ternary complex of yeast tyrosyl-tRNA synthetase

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 (5)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. 折叠分类 (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

CATH v4.4 (2 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)