SAXSdb — 2bto

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2bto
沉积日期 deposition_date	2005-06-04
结构标题 title	Structure of BtubA from Prosthecobacter dejongeii
关键词 keywords	BACTERIAL TUBULIN, POLYMERIZATION, CYTOSKELETON, PROTEIN COMPLEX, CYTOSKELETAL PROTEIN; CYTOSKELETAL PROTEIN
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	31.14 Å
回转半径 Rg (电子) rg_electron	30.31 Å
零角强度 I(0) i0	165262000.00
分子量 molecular_weight	102950.0 kDa
排除体积 excluded_volume	129150 Å³
包络体积 envelope_volume	158980 Å³
水化壳体积 shell_volume	43171 Å³
包络直径 envelope_diameter	110.3 Å
壳层 Rg shell_rg	38.06 Å
包络 Rg envelope_rg	30.15 Å
形状 Rg shape_rg	30.33 Å
总 Rg total_rg	30.92 Å
总原子数 total_atoms	7235
残基数 n_residues	939
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	99.0 Å
Rg (实空间) rg_real	31.07 Å
Rg 误差 (实空间) rg_real_error	0.64 Å
I(0) (实空间) i0_real	1.6530e+08
I(0) 误差 (实空间) i0_real_error	2.6490e+06
Rg (倒空间) rg_reciprocal	31.11 Å
I(0) (倒空间) i0_reciprocal	165300000.0000
解质量估计 total_estimate	0.8980
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	34.9 Å
偏度 Skewness skewness	0.287
峰度 Kurtosis kurtosis	-0.428
角度范围 angular_range	— – 0.2550 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	39950000.0000
实空间数据点数 n_real_points	52
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.919; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.915

▶

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

▶

5. 实体与聚合体信息 (4)

Entity 1 polymer

描述 description	TUBULIN BTUBA
分子量 formula_weight	51299.4 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	7451

MKVNNTIVVSIGQAGNQIAASFWKTVCLEHGIDPLTGQTAPGVAPRGNWSSFFSKLGESSSGSYVPRAIMVDLEPSVIDNVKATSGSLFNPANLISRTEGAGGNFAVGYLGAGREVLPEVMSRLDYEIDKCDNVGGIIVLHAIGGGTGSGFGALLIESLKEKYGEIPVLSCAVLPSPQVSSVVTEPYNTVFALNTLRRSADACLIFDNEALFDLAHRKWNIESPTVDDLNLLITEALAGITASMRFSGFLTVEISLRELLTNLVPQPSLHFLMCAFAPLTPPDRSKFEELGIEEMIKSLFDNGSVFAACSPMEGRFLSTAVLYRGIMEDKPLADAALAAMREKLPLTYWIPTAFKIGYVEQPGISHRKSMVLLANNTEIARVLDRICHNFDKLWQRKAFANWYLNEGMSEEQINVLRASAQELVQSYQVAEESGAKAKVQDSAGDTGMRAAAAGVSDDARGSMSLRDLVDRRR

来源 Source

来源生物 organism	PROSTHECOBACTER DEJONGEII
NCBI 分类编号 ncbi_taxonomy_id	48465
宿主生物 host_organism	ESCHERICHIA COLI

Entity 2 polymer

描述 description	THIOREDOXIN 1
分子量 formula_weight	11687.4 kDa
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	T

SDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFLDANLA

来源 Source

来源生物 organism	ESCHERICHIA COLI
NCBI 分类编号 ncbi_taxonomy_id	562
宿主生物 host_organism	ESCHERICHIA COLI

Entity 3 non-polymer

描述 description	GUANOSINE-5'-TRIPHOSPHATE
分子量 formula_weight	523.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 4 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	216

▼

6. 折叠分类 (SCOP + CATH) 12 domains

SCOP 2.08 (5 domains)

结构域编号 domain_id	d2btoa1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.32 — Tubulin nucleotide-binding domain-like
超家族 Superfamily superfamily	c.32.1 — Tubulin nucleotide-binding domain-like
家族 Family family	c.32.1.1 — Tubulin, GTPase domain

结构域编号 domain_id	d2btoa2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.79 — Bacillus chorismate mutase-like
超家族 Superfamily superfamily	d.79.2 — Tubulin C-terminal domain-like
家族 Family family	d.79.2.1 — Tubulin, C-terminal domain

结构域编号 domain_id	d2btob1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.32 — Tubulin nucleotide-binding domain-like
超家族 Superfamily superfamily	c.32.1 — Tubulin nucleotide-binding domain-like
家族 Family family	c.32.1.1 — Tubulin, GTPase domain

结构域编号 domain_id	d2btob2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.79 — Bacillus chorismate mutase-like
超家族 Superfamily superfamily	d.79.2 — Tubulin C-terminal domain-like
家族 Family family	d.79.2.1 — Tubulin, C-terminal domain

结构域编号 domain_id	d2btot_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.47 — Thioredoxin fold
超家族 Superfamily superfamily	c.47.1 — Thioredoxin-like
家族 Family family	c.47.1.1 — Thioltransferase

CATH v4.4 (7 domains)

结构域编号 domain_id	2btoA01
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	1440 — Tubulin/FtsZ, GTPase domain

结构域编号 domain_id	2btoA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1330 — 60s Ribosomal Protein L30; Chain: A;
同源超家族 H-superfamily homologous superfamily	20 — Tubulin/FtsZ, C-terminal domain

结构域编号 domain_id	2btoA03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily	600 — Helix hairpin bin

结构域编号 domain_id	2btoB01
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	1440 — Tubulin/FtsZ, GTPase domain

结构域编号 domain_id	2btoB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1330 — 60s Ribosomal Protein L30; Chain: A;
同源超家族 H-superfamily homologous superfamily	20 — Tubulin/FtsZ, C-terminal domain

结构域编号 domain_id	2btoB03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily	600 — Helix hairpin bin

结构域编号 domain_id	2btoT00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	30 — Glutaredoxin
同源超家族 H-superfamily homologous superfamily	10 — Glutaredoxin

▶

7. 引用文献 (1)

▶

晶胞边长 a length_a	180.539 Å
晶胞边长 b length_b	180.539 Å
晶胞边长 c length_c	84.229 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	120.00 °
晶胞分子数 Z z_pdb	12

空间群 space_group	P 3 2 1
空间群编号 int_tables_number	150
晶系 crystal_system	—

分辨率 resolution	2.500 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	0.2020
R_work r_work	0.2000
R_free r_free	0.2350

fit	/app/data/saxs_computation/bt/2bto/2bto.fit
pddf	/app/data/pr_computation/bt/2bto/2bto.pr.out
profile	/app/data/saxs_computation/bt/2bto/2bto.dat

Structure of BtubA from Prosthecobacter dejongeii

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 (4)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 non-polymer

Entity 4 water

6. 折叠分类 (SCOP + CATH) 12 domains

SCOP 2.08 (5 domains)

CATH v4.4 (7 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)