SAXSdb — 1gzm

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1gzm
沉积日期 deposition_date	2002-05-24
结构标题 title	Structure of Bovine Rhodopsin in a Trigonal Crystal Form
关键词 keywords	;SIGNALING PROTEIN, PHOTORECEPTOR, RETINAL PROTEIN, VISUAL PIGMENT, G-PROTEIN COUPLED RECEPTOR, INTEGRAL MEMBRANE PROTEIN, PALMITATE, PHOSPHORYLATION ;; SIGNALING PROTEIN
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	29.76 Å
回转半径 Rg (电子) rg_electron	28.21 Å
零角强度 I(0) i0	80730300.00
分子量 molecular_weight	81851.0 kDa
排除体积 excluded_volume	107050 Å³
包络体积 envelope_volume	123940 Å³
水化壳体积 shell_volume	35999 Å³
包络直径 envelope_diameter	107.0 Å
壳层 Rg shell_rg	36.05 Å
包络 Rg envelope_rg	28.41 Å
形状 Rg shape_rg	28.16 Å
总 Rg total_rg	29.27 Å
总原子数 total_atoms	5752
残基数 n_residues	658
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	96.7 Å
Rg (实空间) rg_real	29.63 Å
Rg 误差 (实空间) rg_real_error	0.69 Å
I(0) (实空间) i0_real	8.0730e+07
I(0) 误差 (实空间) i0_real_error	1.1650e+06
Rg (倒空间) rg_reciprocal	29.68 Å
I(0) (倒空间) i0_reciprocal	80730000.0000
解质量估计 total_estimate	0.8957
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	43.8 Å
偏度 Skewness skewness	0.089
峰度 Kurtosis kurtosis	-0.594
角度范围 angular_range	— – 0.2650 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	15110000.0000
实空间数据点数 n_real_points	54
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.883; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.993

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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 (9)

Entity 1 polymer

描述 description	RHODOPSIN
分子量 formula_weight	39057.5 kDa
来源方法 src_method	nat
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	5792

XMNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKNPLGDDEASTTVSKTETSQVAPA

Entity 2 branched

描述 description	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	586.5 kDa
来源方法 src_method	man
拷贝数 entity_count	4

Entity 3 non-polymer

描述 description	RETINAL
分子量 formula_weight	284.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 4 non-polymer

描述 description	PALMITIC ACID
分子量 formula_weight	256.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

Entity 5 non-polymer

描述 description	DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE
分子量 formula_weight	692.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 6 non-polymer

描述 description	LAURYL DIMETHYLAMINE-N-OXIDE
分子量 formula_weight	229.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	3

Entity 7 non-polymer

描述 description	(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
分子量 formula_weight	306.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	12

Entity 8 non-polymer

描述 description	ZINC ION
分子量 formula_weight	65.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 9 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	40

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6. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

结构域编号 domain_id	d1gzma_
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.13 — Class A G protein-coupled receptor (GPCR)-like
超家族 Superfamily superfamily	f.13.1 — Class A G protein-coupled receptor (GPCR)-like
家族 Family family	f.13.1.2 — Rhodopsin-like

结构域编号 domain_id	d1gzmb_
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.13 — Class A G protein-coupled receptor (GPCR)-like
超家族 Superfamily superfamily	f.13.1 — Class A G protein-coupled receptor (GPCR)-like
家族 Family family	f.13.1.2 — Rhodopsin-like

CATH v4.4 (2 domains)

结构域编号 domain_id	1gzmA00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1070 — Rhopdopsin 7-helix transmembrane proteins
同源超家族 H-superfamily homologous superfamily	10 — Rhodopsin 7-helix transmembrane proteins

结构域编号 domain_id	1gzmB00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1070 — Rhopdopsin 7-helix transmembrane proteins
同源超家族 H-superfamily homologous superfamily	10 — Rhodopsin 7-helix transmembrane proteins

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7. 引用文献 (2)

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晶胞边长 a length_a	103.820 Å
晶胞边长 b length_b	103.820 Å
晶胞边长 c length_c	76.590 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	6

空间群 space_group	P 31
空间群编号 int_tables_number	144
晶系 crystal_system	—

分辨率 resolution	2.650 Å
最低分辨率 resolution_low	46.000 Å
R 因子 r_factor	0.2015
R_work r_work	0.2015
R_free r_free	0.2353

fit	/app/data/saxs_computation/gz/1gzm/1gzm.fit
pddf	/app/data/pr_computation/gz/1gzm/1gzm.pr.out
profile	/app/data/saxs_computation/gz/1gzm/1gzm.dat

Structure of Bovine Rhodopsin in a Trigonal Crystal Form

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution