SAXSdb — 1oe9

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1oe9
沉积日期 deposition_date	2003-03-21
结构标题 title	Crystal structure of Myosin V motor with essential light chain-nucleotide-free
关键词 keywords	;ATPASE-MYOSIN COMPLEX, UNCONVENTIONAL MYOSIN, MYOSIN V, CHICKEN, MOLECULAR MOTOR, ATPASE, ELC, IQ MOTIF, MUSCLE PROTEIN, ATP-BINDING ;; ATPASE/MYOSIN
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	36.11 Å
回转半径 Rg (电子) rg_electron	36.16 Å
零角强度 I(0) i0	146454000.00
分子量 molecular_weight	98314.0 kDa
排除体积 excluded_volume	123520 Å³
包络体积 envelope_volume	162150 Å³
水化壳体积 shell_volume	40143 Å³
包络直径 envelope_diameter	135.4 Å
壳层 Rg shell_rg	39.07 Å
包络 Rg envelope_rg	36.44 Å
形状 Rg shape_rg	36.14 Å
总 Rg total_rg	36.44 Å
总原子数 total_atoms	6924
残基数 n_residues	870
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	131.2 Å
Rg (实空间) rg_real	36.49 Å
Rg 误差 (实空间) rg_real_error	1.23 Å
I(0) (实空间) i0_real	1.4650e+08
I(0) 误差 (实空间) i0_real_error	2.3690e+06
Rg (倒空间) rg_reciprocal	36.26 Å
I(0) (倒空间) i0_reciprocal	146400000.0000
解质量估计 total_estimate	0.7959
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	35.8 Å
偏度 Skewness skewness	0.600
峰度 Kurtosis kurtosis	-0.207
角度范围 angular_range	— – 0.2200 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	18670000.0000
实空间数据点数 n_real_points	45
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.593; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.655; Smooth: 0.910

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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 (4)

Entity 1 polymer

描述 description	MYOSIN VA
分子量 formula_weight	91607.2 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	A
原子数 atom_count	7263

MAASELYTKYARVWIPDPEEVWKSAELLKDYKPGDKVLQLRLEEGKDLEYCLDPKTKELPPLRNPDILVGENDLTALSYLHEPAVLHNLKVRFIDSKLIYTYCGIVLVAINPYEQLPIYGEDIINAYSGQNMGDMDPHIFAVAEEAYKQMARDERNQSIIVSGESGAGKTVSAKYAMRYFATVSGSASEANVEEKVLASNPIMESIGNAKTTRNDNSSRFGKYIEIGFDKRYRIIGANMRTYLLEKSRVVFQAEEERNYHIFYQLCASAALPEFKTLRLGNANYFHYTKQGGSPVIDGIDDAKEMVNTRQACTLLGISDSYQMGIFRILAGILHLGNVEFASRDSDSCAIPPKHDPLTIFCDLMGVDYEEMAHWLCHRKLATATETYIKPISKLHAINARDALAKHIYANLFNWIVDHVNKALHSTVKQHSFIGVLDIYGFETFEINSFEQFCINYANEKLQQQFNMHVFKLEQEEYMKEQIPWTLIDFYDNQPCINLIEAKMGVLDLLDEECKMPKGSDDTWAQKLYNTHLNKCALFEKPRLSNKAFIIKHFADKVEYQCEGFLEKNKDTVYEEQIKVLKSSKKFKLLPELFQDEEKAISPTSATPSGRVPLSRTPVKPAKARPGQTSKEHKKTVGHQFRNSLHLLMETLNATTPHYVRCIKPNDFKFPFTFDEKRAVQQLRACGVLETIRISAAGFPSRWTYQEFFSRYRVLMKQKDVLSDRKQTCKNVLEKLILDKDKYQFGKTKIFFRAGQVAYLEKIRADKLRAACIRIQKTIRGWLMRKKYMRMRRGDA

来源 Source

来源生物 organism	GALLUS GALLUS
通用名 common_name	CHICKEN
NCBI 分类编号 ncbi_taxonomy_id	9031
宿主生物 host_organism	SPODOPTERA FRUGIPERDA

Entity 2 polymer

描述 description	MYOSIN LIGHT CHAIN 1, SLOW-TWITCH MUSCLE A ISOFORM
分子量 formula_weight	17090.3 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	B

MIEFNKDQLEEFKEAFELFDRVGDGKILYSQCGDVMRALGQNPTNAEVLKVLGNPKSDELKSRRVDFETFLPMLQAVAKNRGQGTYEDYLEGFRVFDKEGNGKVMGAELRHVLTTLGEKMTEEEVETVLAGHEDSNGCINYEAFLKHILSV

来源 Source

来源生物 organism	HOMO SAPIENS
通用名 common_name	HUMAN
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	SPODOPTERA FRUGIPERDA

Entity 3 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

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	333

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6. 折叠分类 (SCOP + CATH) 5 domains

SCOP 2.08 (3 domains)

结构域编号 domain_id	d1oe9a1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.34 — SH3-like barrel
超家族 Superfamily superfamily	b.34.3 — Myosin S1 fragment, N-terminal domain
家族 Family family	b.34.3.1 — Myosin S1 fragment, N-terminal domain

结构域编号 domain_id	d1oe9a2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family family	c.37.1.9 — Motor proteins

结构域编号 domain_id	d1oe9b_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.39 — EF Hand-like
超家族 Superfamily superfamily	a.39.1 — EF-hand
家族 Family family	a.39.1.5 — Calmodulin-like

CATH v4.4 (2 domains)

结构域编号 domain_id	1oe9B01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	238 — Recoverin; domain 1
同源超家族 H-superfamily homologous superfamily	10 — EF-hand

结构域编号 domain_id	1oe9B02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	238 — Recoverin; domain 1
同源超家族 H-superfamily homologous superfamily	10 — EF-hand

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7. 引用文献 (1)

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晶胞边长 a length_a	53.933 Å
晶胞边长 b length_b	98.247 Å
晶胞边长 c length_c	111.378 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	101.43 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	2

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	2.050 Å
最低分辨率 resolution_low	40.000 Å
R 因子 r_factor	0.2220
R_work r_work	0.2200
R_free r_free	0.2640

fit	/app/data/saxs_computation/oe/1oe9/1oe9.fit
pddf	/app/data/pr_computation/oe/1oe9/1oe9.pr.out
profile	/app/data/saxs_computation/oe/1oe9/1oe9.dat

Crystal structure of Myosin V motor with essential light chain-nucleotide-free

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) 5 domains

SCOP 2.08 (3 domains)

CATH v4.4 (2 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)