1fwl

CRYSTAL STRUCTURE OF HOMOSERINE KINASE

Method: X-RAY DIFFRACTION D_max: 107.5 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	1fwl
沉积日期 deposition_date	2000-09-22
结构标题 title	CRYSTAL STRUCTURE OF HOMOSERINE KINASE
关键词 keywords	kinase, TRANSFERASE; TRANSFERASE
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	34.13 Å
回转半径 Rg (电子) rg_electron	33.25 Å
零角强度 I(0) i0	232028000.00
分子量 molecular_weight	129020.0 kDa
排除体积 excluded_volume	164570 Å³
包络体积 envelope_volume	204850 Å³
水化壳体积 shell_volume	50018 Å³
包络直径 envelope_diameter	106.9 Å
壳层 Rg shell_rg	41.00 Å
包络 Rg envelope_rg	33.09 Å
形状 Rg shape_rg	33.23 Å
总 Rg total_rg	33.93 Å
总原子数 total_atoms	9076
残基数 n_residues	1184
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	107.5 Å
Rg (实空间) rg_real	33.98 Å
Rg 误差 (实空间) rg_real_error	0.59 Å
I(0) (实空间) i0_real	2.3200e+08
I(0) 误差 (实空间) i0_real_error	3.4800e+06
Rg (倒空间) rg_reciprocal	34.08 Å
I(0) (倒空间) i0_reciprocal	232000000.0000
解质量估计 total_estimate	0.9018
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	46.7 Å
偏度 Skewness skewness	0.128
峰度 Kurtosis kurtosis	-0.534
角度范围 angular_range	— – 0.2300 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	90890000.0000
实空间数据点数 n_real_points	47
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.925; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.951

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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) 16 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d1fwla1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.14 — Ribosomal protein S5 domain 2-like
超家族 Superfamily superfamily	d.14.1 — Ribosomal protein S5 domain 2-like
家族 Family family	d.14.1.5 — GHMP Kinase, N-terminal domain

结构域编号 domain_id	d1fwla2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.26 — GHMP Kinase, C-terminal domain
家族 Family family	d.58.26.1 — Homoserine kinase

结构域编号 domain_id	d1fwlb1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.14 — Ribosomal protein S5 domain 2-like
超家族 Superfamily superfamily	d.14.1 — Ribosomal protein S5 domain 2-like
家族 Family family	d.14.1.5 — GHMP Kinase, N-terminal domain

结构域编号 domain_id	d1fwlb2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.26 — GHMP Kinase, C-terminal domain
家族 Family family	d.58.26.1 — Homoserine kinase

结构域编号 domain_id	d1fwlc1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.14 — Ribosomal protein S5 domain 2-like
超家族 Superfamily superfamily	d.14.1 — Ribosomal protein S5 domain 2-like
家族 Family family	d.14.1.5 — GHMP Kinase, N-terminal domain

结构域编号 domain_id	d1fwlc2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.26 — GHMP Kinase, C-terminal domain
家族 Family family	d.58.26.1 — Homoserine kinase

结构域编号 domain_id	d1fwld1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.14 — Ribosomal protein S5 domain 2-like
超家族 Superfamily superfamily	d.14.1 — Ribosomal protein S5 domain 2-like
家族 Family family	d.14.1.5 — GHMP Kinase, N-terminal domain

结构域编号 domain_id	d1fwld2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.26 — GHMP Kinase, C-terminal domain
家族 Family family	d.58.26.1 — Homoserine kinase

CATH v4.4 (8 domains)

结构域编号 domain_id	1fwlA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	230 — Ribosomal Protein S5; domain 2
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1fwlA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	890 — GHMP kinase, C-terminal domain

结构域编号 domain_id	1fwlB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	230 — Ribosomal Protein S5; domain 2
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1fwlB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	890 — GHMP kinase, C-terminal domain

结构域编号 domain_id	1fwlC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	230 — Ribosomal Protein S5; domain 2
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1fwlC02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	890 — GHMP kinase, C-terminal domain

结构域编号 domain_id	1fwlD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	230 — Ribosomal Protein S5; domain 2
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1fwlD02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	890 — GHMP kinase, C-terminal domain

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7. 引用文献 (1)

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晶胞边长 a length_a	61.993 Å
晶胞边长 b length_b	128.721 Å
晶胞边长 c length_c	109.423 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	105.57 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

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	2.250 Å
最低分辨率 resolution_low	20.000 Å
R 因子 r_factor	—
R_work r_work	0.2040
R_free r_free	0.2480

描述 description	HOMOSERINE KINASE
分子量 formula_weight	32299.4 kDa
EC 编号 ec_number	2.7.1.39
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	A,B,C,D
原子数 atom_count	9582

CRYSTAL STRUCTURE OF HOMOSERINE KINASE

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) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	Methanocaldococcus jannaschii
NCBI 分类编号 ncbi_taxonomy_id	2190
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	506

fit	/app/data/saxs_computation/fw/1fwl/1fwl.fit
pddf	/app/data/pr_computation/fw/1fwl/1fwl.pr.out
profile	/app/data/saxs_computation/fw/1fwl/1fwl.dat