1s0v

Structural basis for substrate selection by T7 RNA polymerase

Method: X-RAY DIFFRACTION D_max: 200.9 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

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1s0v
沉积日期 deposition_date	2004-01-05
结构标题 title	Structural basis for substrate selection by T7 RNA polymerase
关键词 keywords	;T7 RNA polymerase, DNA, RNA, RIKEN Structural Genomics/Proteomics Initiative, RSGI, Structural Genomics, Transferase-DNA-RNA COMPLEX, Transferase-DNA-RNA HYBRID complex ;; Transferase/DNA-RNA HYBRID
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	66.03 Å
回转半径 Rg (电子) rg_electron	67.01 Å
零角强度 I(0) i0	2912100000.00
分子量 molecular_weight	427280.0 kDa
排除体积 excluded_volume	523180 Å³
包络体积 envelope_volume	856510 Å³
水化壳体积 shell_volume	108050 Å³
包络直径 envelope_diameter	231.0 Å
壳层 Rg shell_rg	63.02 Å
包络 Rg envelope_rg	66.30 Å
形状 Rg shape_rg	67.00 Å
总 Rg total_rg	66.94 Å
总原子数 total_atoms	29900
残基数 n_residues	3564
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	200.9 Å
Rg (实空间) rg_real	66.66 Å
Rg 误差 (实空间) rg_real_error	1.63 Å
I(0) (实空间) i0_real	2.9120e+09
I(0) 误差 (实空间) i0_real_error	5.6630e+07
Rg (倒空间) rg_reciprocal	65.40 Å
I(0) (倒空间) i0_reciprocal	2905000000.0000
解质量估计 total_estimate	0.8325
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	67.0 Å
偏度 Skewness skewness	0.445
峰度 Kurtosis kurtosis	-0.571
角度范围 angular_range	— – 0.1200 Å⁻¹
当前正则化参数 α current_alpha	0.0001
最高正则化参数 α highest_alpha	142500000.0000
实空间数据点数 n_real_points	25
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.950; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.001

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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 (7)

Entity 1 polymer

描述 description	5'-D(GGPGPAPAPTPCPGPAPTPAPTPCPGPCPCPGPC)-3'
分子量 formula_weight	5541.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polydeoxyribonucleotide
链编号 strand_id	E,H,K,N
原子数 atom_count	30899

GGGAATCGATATCGCCGC

Entity 2 polymer

描述 description	5'-R(APAPCPUGPCPGPGPCPGPAPU)-3'
分子量 formula_weight	3851.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polyribonucleotide
链编号 strand_id	F,I,L,O

AACUGCGGCGAU

Entity 3 polymer

描述 description	5'-D(GPTPCPGPAPTPTPCPCPC)-3'
分子量 formula_weight	2996.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polydeoxyribonucleotide
链编号 strand_id	G,J,M,P

GTCGATTCCC

Entity 4 polymer

描述 description	DNA-directed RNA polymerase
分子量 formula_weight	98984.2 kDa
EC 编号 ec_number	2.7.7.6
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

MNTINIAKNDFSDIELAAIPFNTLADHYGERLAREQLALEHESYEMGEARFRKMFERQLKAGEVADNAAAKPLITTLLPKMIARINDWFEEVKAKRGKRPTAFQFLQEIKPEAVAYITIKTTLACLTSADNTTVQAVASAIGRAIEDEARFGRIRDLEAKHFKKNVEEQLNKRVGHVYKKAFMQVVEADMLSKGLLGGEAWSSWHKEDSIHVGVRCIEMLIESTGMVSLHRQNAGVVGQDSETIELAPEYAEAIATRAGALAGISPMFQPCVVPPKPWTGITGGGYWANGRRPLALVRTHSKKALMRYEDVYMPEVYKAINIAQNTAWKINKKVLAVANVITKWKHCPVEDIPAIEREELPMKPEDIDMNPEALTAWKRAAAAVYRKDKARKSRRISLEFMLEQANKFANHKAIWFPYNMDWRGRVYAVSMFNPQGNDMTKGLLTLAKGKPIGKEGYYWLKIHGANCAGVDKVPFPERIKFIEENHENIMACAKSPLENTWWAEQDSPFCFLAFCFEYAGVQHHGLSYNCSLPLAFDGSCSGIQHFSAMLRDEVGGRAVNLLPSETVQDIYGIVAKKVNEILQADAINGTDNEVVTVTDENTGEISEKVKLGTKALAGQWLAYGVTRSVTKRSVMTLAYGSKEFGFRQQVLEDTIQPAIDSGKGLMFTQPNQAAGYMAKLIWESVSVTVVAAVEAMNWLKSAAKLLAAEVKDKKTGEILRKRCAVHWVTPDGFPVWQEYKKPIQTRLNLMFLGQFRLQPTINTNKDSEIDAHKQESGIAPNFVHSQDGSHLRKTVVWAHEKYGIESFALIHDSFGTIPADAANLFKAVRETMVDTYESCDVLADFYDQFADQLHESQLDKMPALPAKGNLNLRDILESDFAFA

来源 Source

来源生物 organism	Enterobacteria phage T7
NCBI 分类编号 ncbi_taxonomy_id	10760
宿主生物 host_organism	Escherichia coli

Entity 5 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	8

Entity 6 non-polymer

描述 description	DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
分子量 formula_weight	505.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

Entity 7 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	999

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6. 折叠分类 (SCOP + CATH) 24 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d1s0va_
类 Class class	e — Multi-domain proteins (alpha and beta)
折叠类型 Fold fold	e.8 — DNA/RNA polymerases
超家族 Superfamily superfamily	e.8.1 — DNA/RNA polymerases
家族 Family family	e.8.1.3 — T7 RNA polymerase

结构域编号 domain_id	d1s0vb_
类 Class class	e — Multi-domain proteins (alpha and beta)
折叠类型 Fold fold	e.8 — DNA/RNA polymerases
超家族 Superfamily superfamily	e.8.1 — DNA/RNA polymerases
家族 Family family	e.8.1.3 — T7 RNA polymerase

结构域编号 domain_id	d1s0vc_
类 Class class	e — Multi-domain proteins (alpha and beta)
折叠类型 Fold fold	e.8 — DNA/RNA polymerases
超家族 Superfamily superfamily	e.8.1 — DNA/RNA polymerases
家族 Family family	e.8.1.3 — T7 RNA polymerase

结构域编号 domain_id	d1s0vd_
类 Class class	e — Multi-domain proteins (alpha and beta)
折叠类型 Fold fold	e.8 — DNA/RNA polymerases
超家族 Superfamily superfamily	e.8.1 — DNA/RNA polymerases
家族 Family family	e.8.1.3 — T7 RNA polymerase

CATH v4.4 (20 domains)

结构域编号 domain_id	1s0vA01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1320 — T7 RNA polymerase; domain 1
同源超家族 H-superfamily homologous superfamily	10 — DNA-directed RNA polymerase, N-terminal domain

结构域编号 domain_id	1s0vA02
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	260 —

结构域编号 domain_id	1s0vA03
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	370 —

结构域编号 domain_id	1s0vA04
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	280 —

结构域编号 domain_id	1s0vA05
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	150 — DNA polymerase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — 5' to 3' exonuclease, C-terminal subdomain

结构域编号 domain_id	1s0vB01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1320 — T7 RNA polymerase; domain 1
同源超家族 H-superfamily homologous superfamily	10 — DNA-directed RNA polymerase, N-terminal domain

结构域编号 domain_id	1s0vB02
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	260 —

结构域编号 domain_id	1s0vB03
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	370 —

结构域编号 domain_id	1s0vB04
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	280 —

结构域编号 domain_id	1s0vB05
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	150 — DNA polymerase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — 5' to 3' exonuclease, C-terminal subdomain

结构域编号 domain_id	1s0vC01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1320 — T7 RNA polymerase; domain 1
同源超家族 H-superfamily homologous superfamily	10 — DNA-directed RNA polymerase, N-terminal domain

结构域编号 domain_id	1s0vC02
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	260 —

结构域编号 domain_id	1s0vC03
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	370 —

结构域编号 domain_id	1s0vC04
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	280 —

结构域编号 domain_id	1s0vC05
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	150 — DNA polymerase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — 5' to 3' exonuclease, C-terminal subdomain

结构域编号 domain_id	1s0vD01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1320 — T7 RNA polymerase; domain 1
同源超家族 H-superfamily homologous superfamily	10 — DNA-directed RNA polymerase, N-terminal domain

结构域编号 domain_id	1s0vD02
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	260 —

结构域编号 domain_id	1s0vD03
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	370 —

结构域编号 domain_id	1s0vD04
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	280 —

结构域编号 domain_id	1s0vD05
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	150 — DNA polymerase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — 5' to 3' exonuclease, C-terminal subdomain

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7. 引用文献 (3)

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晶胞边长 a length_a	81.133 Å
晶胞边长 b length_b	87.703 Å
晶胞边长 c length_c	206.531 Å
晶胞夹角 α angle_alpha	91.93 °
晶胞夹角 β angle_beta	91.02 °
晶胞夹角 γ angle_gamma	110.66 °
晶胞分子数 Z z_pdb	4

空间群 space_group	P 1
空间群编号 int_tables_number	1
晶系 crystal_system	—

分辨率 resolution	3.200 Å
最低分辨率 resolution_low	40.000 Å
R 因子 r_factor	0.2550
R_work r_work	0.2550
R_free r_free	0.3070

fit	/app/data/saxs_computation/s0/1s0v/1s0v.fit
pddf	/app/data/pr_computation/s0/1s0v/1s0v.pr.out
profile	/app/data/saxs_computation/s0/1s0v/1s0v.dat

Structural basis for substrate selection by T7 RNA polymerase

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

5. 实体与聚合体信息 (7)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

Entity 3 polymer

聚合体 Polymer

Entity 4 polymer

聚合体 Polymer

来源 Source

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 water

6. 折叠分类 (SCOP + CATH) 24 domains

SCOP 2.08 (4 domains)

CATH v4.4 (20 domains)

7. 引用文献 (3)

8. 文件与曲线 (10)

Files (7)

Curves (3)