9p2r

Extended, CYR715-bound state of Manduca sexta soluble guanylate cyclase mutant beta C122S

Method: ELECTRON MICROSCOPY D_max: 152.7 Å Quality: REASONABLE

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	9p2r
沉积日期 deposition_date	2025-06-12
结构标题 title	Extended, CYR715-bound state of Manduca sexta soluble guanylate cyclase mutant beta C122S
关键词 keywords	Cyclase, NO, SIGNALING PROTEIN; SIGNALING PROTEIN
实验方法 method	ELECTRON MICROSCOPY

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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	45.26 Å
回转半径 Rg (电子) rg_electron	45.55 Å
零角强度 I(0) i0	135009000.00
分子量 molecular_weight	97449.0 kDa
排除体积 excluded_volume	122520 Å³
包络体积 envelope_volume	176140 Å³
水化壳体积 shell_volume	33711 Å³
包络直径 envelope_diameter	145.1 Å
壳层 Rg shell_rg	46.56 Å
包络 Rg envelope_rg	44.89 Å
形状 Rg shape_rg	45.39 Å
总 Rg total_rg	46.14 Å
总原子数 total_atoms	13543
残基数 n_residues	877
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	152.7 Å
Rg (实空间) rg_real	45.84 Å
Rg 误差 (实空间) rg_real_error	2.14 Å
I(0) (实空间) i0_real	1.3500e+08
I(0) 误差 (实空间) i0_real_error	2.8850e+06
Rg (倒空间) rg_reciprocal	45.27 Å
I(0) (倒空间) i0_reciprocal	134900000.0000
解质量估计 total_estimate	0.6662
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	30.5 Å
偏度 Skewness skewness	0.372
峰度 Kurtosis kurtosis	-1.031
角度范围 angular_range	— – 0.1750 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	25270000.0000
实空间数据点数 n_real_points	36
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.205; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.167; Smooth: 0.874

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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	Soluble guanylyl cyclase alpha-1 subunit
分子量 formula_weight	78598.7 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	13543

MTCPFRRASSQHQFANGGSSAPKKPEFRSRTSSVHLTGPEEEDGERNTLTLKHMSEALQLLTAPSNECLHAAVTSLTKNQSDHYHKYNCLRRLPDDVKTCRNYAYLQEIYDAVRATDSVNTKDFMAKLGEYLILTAFSHNCRLERAFKCLGTNLTEFLTTLDSVHDVLHDQDTPLKDETMEYEANFVCTTSQEGKIQLHLTTESEPVAYLLVGSLKAIAKRLYDTQTDIRLRSYTNDPRRFRYEINAVPLHQKSKEDSCELVNEAASVATSTKVTDLKIGVASFCKAFPWHFITDKRLELVQLGAGFMRLFGTHLATHGSSLGTYFRLLRPRGVPLDFREILKRVNTPFMFCLKMPGSTALAEGLEIKGQMVFCAESDSLLFVGSPFLDGLEGLTGRGLFISDIPLHDATRDVILVGEQARAQDGLRRRMDKLKNSIEEASKAVDKEREKNVSLLHLIFPPHIAKRLWLGEKIEAKSHDDVTMLFSDIVGFTSICATATPMMVIAMLEDLYSVFDIFCEELDVYKVETIGDAYCVASGLHRKVETHAPQIAWMALRMVETCAQHLTHEGNPIKMRIGLHTGTVLAGVVGKTMLKYCLFGHNVTLANKFESGSEPLKINVSPTTYEWLIKFPGFDMEPRDRSCLPNSFPKDIHGTCYFLHKYTHPGTDPGEPQVKHIREALKDYGIGQANSTDVDTEEPT

来源 Source

来源生物 organism	Manduca sexta
通用名 common_name	tobacco hornworm
NCBI 分类编号 ncbi_taxonomy_id	7130
宿主生物 host_organism	Spodoptera aff. frugiperda 2 RZ-2014

Entity 2 polymer

描述 description	Guanylate cyclase soluble subunit beta-1
分子量 formula_weight	68165.9 kDa
EC 编号 ec_number	4.6.1.2
突变 mutation	C122S
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

MYGFVNYALELLVMKTFDEETWETIKKKADVAMEGSFLVRQIYEDEITYNLITAAVEVLQIPADAILELFGKTFFEFCQDSGYDKILQVLGATPRDFLQNLDGLHDHLGTLYPGMRSPSFRSTERPEDGALVLHYYSDRPGLEHIVIGIVKTVASKLHNTEVKVEILKTKEECDHVQFLITETSTTGRVSAPEIAEIETLSLEPKVSPATFCRVFPFHLMFDRDLNIVQAGRTVSRLLPRVTRPGCKITDVLDTVRPHLEMTFANVLAHINTVYVLKTKPEEMSVTDPHEEIASLRLKGQMLYIPETDVVVFQCYPSVTNLDDLTRRGLCIADIPLHDATRDLVLMSEQFEADYKLTQNLEVLTDKLQQTFRELELEKQKTDRLLYSVLPISVATELRHRRPVPARRYDTVTLLFSGIVGFANYCARNSDHKGAMKIVRMLNDLYTAFDVLTDPKRNPNVYKVETVGDKYMAVSGLPEYEVAHAKHISLLALDMMDLSQTVTVDGEPVGITIGIHSGEVVTGVIGHRMPRYCLFGNTVNLTSRCETTGVPGTINVSEDTYNYLMREDNHDEQFELTYRGHVTMKGKAEPMQTWFLTRKIH

来源 Source

来源生物 organism	Manduca sexta
通用名 common_name	tobacco hornworm
NCBI 分类编号 ncbi_taxonomy_id	7130
宿主生物 host_organism	Spodoptera aff. frugiperda 2 RZ-2014

Entity 3 non-polymer

描述 description	PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
分子量 formula_weight	521.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 4 non-polymer

描述 description	PROTOPORPHYRIN IX CONTAINING FE
分子量 formula_weight	616.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 5 non-polymer

描述 description	;(2S,3R)-1-{5-fluoro-2-[(5P)-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]pyrimidin-4-yl}-3-methylpiperidine-2-carboxylic acid ;
分子量 formula_weight	480.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

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7. 引用文献 (1)

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晶胞边长 a length_a	1.000 Å
晶胞边长 b length_b	1.000 Å
晶胞边长 c length_c	1.000 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	—

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

分辨率 resolution	3.60 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	598571

fit	/app/data/saxs_computation/p2/9p2r/9p2r.fit
pddf	/app/data/pr_computation/p2/9p2r/9p2r.pr.out
profile	/app/data/saxs_computation/p2/9p2r/9p2r.dat

Extended, CYR715-bound state of Manduca sexta soluble guanylate cyclase mutant beta C122S

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

冷冻电镜 EM 3D

5. 实体与聚合体信息 (5)

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 non-polymer

Entity 5 non-polymer

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)