1sfc

NEURONAL SYNAPTIC FUSION COMPLEX

Method: X-RAY DIFFRACTION D_max: 157.7 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	1sfc
沉积日期 deposition_date	1998-08-24
结构标题 title	NEURONAL SYNAPTIC FUSION COMPLEX
关键词 keywords	MEMBRANE FUSION PROTEIN COMPLEX, TRANSPORT PROTEIN; TRANSPORT 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	39.78 Å
回转半径 Rg (电子) rg_electron	40.75 Å
零角强度 I(0) i0	186285000.00
分子量 molecular_weight	102570.0 kDa
排除体积 excluded_volume	125160 Å³
包络体积 envelope_volume	162260 Å³
水化壳体积 shell_volume	38406 Å³
包络直径 envelope_diameter	167.2 Å
壳层 Rg shell_rg	38.65 Å
包络 Rg envelope_rg	42.36 Å
形状 Rg shape_rg	40.77 Å
总 Rg total_rg	40.57 Å
总原子数 total_atoms	7086
残基数 n_residues	867
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	157.7 Å
Rg (实空间) rg_real	40.66 Å
Rg 误差 (实空间) rg_real_error	2.18 Å
I(0) (实空间) i0_real	1.8630e+08
I(0) 误差 (实空间) i0_real_error	3.6460e+06
Rg (倒空间) rg_reciprocal	40.11 Å
I(0) (倒空间) i0_reciprocal	186200000.0000
解质量估计 total_estimate	0.6704
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	39.4 Å
偏度 Skewness skewness	0.742
峰度 Kurtosis kurtosis	0.236
角度范围 angular_range	— – 0.2000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	9299000.0000
实空间数据点数 n_real_points	41
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.464; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.322; Smooth: 0.000

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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	PROTEIN (SYNAPTOBREVIN 2)
分子量 formula_weight	10530.9 kDa
来源方法 src_method	man
拷贝数 entity_count	3

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,E,I
原子数 atom_count	7105

MSATAATVPPAAPAGEGGPPAPPPNLTSNRRLQQTQAQVDEVVDIMRVNVDKVLERDQKLSELDDRADALQAGASQFETSAAKLKRKYWWKNLKMM

来源 Source

来源生物 organism	Rattus norvegicus
通用名 common_name	Norway rat
NCBI 分类编号 ncbi_taxonomy_id	10116
宿主生物 host_organism	Escherichia coli

Entity 2 polymer

描述 description	PROTEIN (SYNTAXIN 1A)
分子量 formula_weight	9603.9 kDa
来源方法 src_method	man
拷贝数 entity_count	3

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B,F,J

GIIMDSSISKQALSEIETRHSEIIKLENSIRELHDMFMDMAMLVESQGEMIDRIEYNVEHAVDYVERAVSDTKKAVKYQSKAR

来源 Source

来源生物 organism	Rattus norvegicus
通用名 common_name	Norway rat
NCBI 分类编号 ncbi_taxonomy_id	10116
宿主生物 host_organism	Escherichia coli

Entity 3 polymer

描述 description	PROTEIN (SNAP-25B)
分子量 formula_weight	9662.8 kDa
来源方法 src_method	man
拷贝数 entity_count	3

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	C,G,K

MAEDADMRNELEEMQRRADQLADESLESTRRMLQLVEESKDAGIRTLVMLDEQGEQLDRVEEGMNHINQDMKEAEKNLKDLGK

来源 Source

来源生物 organism	Rattus norvegicus
通用名 common_name	Norway rat
NCBI 分类编号 ncbi_taxonomy_id	10116
宿主生物 host_organism	Escherichia coli

Entity 4 polymer

描述 description	PROTEIN (SNAP-25B)
分子量 formula_weight	9862.0 kDa
来源方法 src_method	man
拷贝数 entity_count	3

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	D,H,L

VVDEREQMAISGGFIRRVTNDARENEMDENLEQVSGIIGNLRHMALDMGNEIDTQNRQIDRIMEKADSNKTRIDEANQRATKMLGSG

来源 Source

来源生物 organism	Rattus norvegicus
通用名 common_name	Norway rat
NCBI 分类编号 ncbi_taxonomy_id	10116
宿主生物 host_organism	Escherichia coli

Entity 5 non-polymer

描述 description	STRONTIUM ION
分子量 formula_weight	87.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	13

Entity 6 non-polymer

描述 description	(4S)-2-METHYL-2,4-PENTANEDIOL
分子量 formula_weight	118.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	7

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	19

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6. 折叠分类 (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

结构域编号 domain_id	d1sfca_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

结构域编号 domain_id	d1sfcb_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

结构域编号 domain_id	d1sfcc_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

结构域编号 domain_id	d1sfcd_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

结构域编号 domain_id	d1sfce_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

结构域编号 domain_id	d1sfcf_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

结构域编号 domain_id	d1sfcg_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

结构域编号 domain_id	d1sfch_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

结构域编号 domain_id	d1sfci_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

结构域编号 domain_id	d1sfcj_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

结构域编号 domain_id	d1sfck_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

结构域编号 domain_id	d1sfcl_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.15 — SNARE fusion complex
家族 Family family	h.1.15.1 — SNARE fusion complex

CATH v4.4 (12 domains)

结构域编号 domain_id	1sfcA00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

结构域编号 domain_id	1sfcB00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

结构域编号 domain_id	1sfcC00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

结构域编号 domain_id	1sfcD00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

结构域编号 domain_id	1sfcE00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

结构域编号 domain_id	1sfcF00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

结构域编号 domain_id	1sfcG00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

结构域编号 domain_id	1sfcH00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

结构域编号 domain_id	1sfcI00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

结构域编号 domain_id	1sfcJ00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

结构域编号 domain_id	1sfcK00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

结构域编号 domain_id	1sfcL00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	110 —

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7. 引用文献 (1)

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晶胞边长 a length_a	98.715 Å
晶胞边长 b length_b	111.071 Å
晶胞边长 c length_c	198.844 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	24

空间群 space_group	I 2 2 2
空间群编号 int_tables_number	23
晶系 crystal_system	—

分辨率 resolution	2.400 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	0.2650
R_work r_work	0.2650
R_free r_free	0.3030

fit	/app/data/saxs_computation/sf/1sfc/1sfc.fit
pddf	/app/data/pr_computation/sf/1sfc/1sfc.pr.out
profile	/app/data/saxs_computation/sf/1sfc/1sfc.dat

NEURONAL SYNAPTIC FUSION COMPLEX

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 (7)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 polymer

聚合体 Polymer

来源 Source

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 (12 domains)

CATH v4.4 (12 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)