SAXSdb — 2cf2

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2cf2
沉积日期 deposition_date	2006-02-14
结构标题 title	Architecture of mammalian fatty acid synthase
关键词 keywords	TRANSFERASE, FATTY ACID METABOLISM, FATTY ACID BIOSYNTHESIS, MULTIENZYME; TRANSFERASE
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	56.95 Å
回转半径 Rg (电子) rg_electron	57.08 Å
零角强度 I(0) i0	1549450000.00
分子量 molecular_weight	332770.0 kDa
排除体积 excluded_volume	411390 Å³
包络体积 envelope_volume	441340 Å³
水化壳体积 shell_volume	70146 Å³
包络直径 envelope_diameter	191.7 Å
壳层 Rg shell_rg	52.67 Å
包络 Rg envelope_rg	55.09 Å
形状 Rg shape_rg	57.32 Å
总 Rg total_rg	56.98 Å
总原子数 total_atoms	—
残基数 n_residues	—
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	181.0 Å
Rg (实空间) rg_real	57.10 Å
Rg 误差 (实空间) rg_real_error	1.35 Å
I(0) (实空间) i0_real	1.5490e+09
I(0) 误差 (实空间) i0_real_error	2.7220e+07
Rg (倒空间) rg_reciprocal	56.79 Å
I(0) (倒空间) i0_reciprocal	1549000000.0000
解质量估计 total_estimate	0.6281
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	77.6 Å
偏度 Skewness skewness	0.368
峰度 Kurtosis kurtosis	-0.284
角度范围 angular_range	— – 0.1400 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	62990000.0000
实空间数据点数 n_real_points	29
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.941; Stabil: 1.000; Sysdev: 0.041; Positv: 1.000; Valcen: 0.996; Smooth: 0.217

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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	FATTY ACID SYNTHASE, KS DOMAIN
分子量 formula_weight	42668.2 kDa
EC 编号 ec_number	2.3.1.85
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,J
原子数 atom_count	3146

MKRVVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWGNVKLDTTGLIDRKVVRFMSDASIYAFLSMEQAIADAGLSPEAYQNNPRVGLIAGSGGGSPRFQVFGADAMRGPRGLKAVGPYVVTKAMASGVSACLATPFKIHGVNYSISSASATSAHCIGNAVEQIQLGKQDIVFAGGGEELCWEMACEFDAMGALSTKYNDTPEKASRTYDAHRDGFVIAGGGGMVVVEELEHALARGAHIYAEIVGYGATSDGADMVAPSGEGAVRCMKMAMHGVDTPIDYLNSHGTSTPVGDVKELAAIREVFGDKSPAISATKAMTGHSLGAAGVQEAIYSLLMLEHGFIAPSINIEELDEQAAGLNIVTETTDRELTTVMSNSFGFGGTNATLVMRKLKD

Entity 2 polymer

描述 description	FATTY ACID SYNTHASE, MAT DOMAIN
分子量 formula_weight	30981.4 kDa
EC 编号 ec_number	2.3.1.85
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	B,K

MLVLVAPGQGAQTPGFLTDWLALPGAADRVAAWSDAIGLDLAHFGTKADADEIRDTSVAQPLLVAAGILSAAALGTGFTPGAVAGHSVGEITAAVFAGVLDDTAALSLVRRRGLAMAEAAAVTETGMSALLGGDPEVSVAHLERLGLTPANVNGAGQIVAAGTMEQLAALNEDKPEGVRKVVPLKVAGAFHTRHMAPAVDKLAEAAKALTPADPKVTYVSNKDGRAVASGTEVLDRLVGQVANPVRWDLCMETFKELGVTAIIEVCPGGTLTGLAKRALPGVKTLALKTPDDLDAARELVAEHT

Entity 3 polymer

描述 description	FATTY ACID SYNTHASE, DH DOMAIN
分子量 formula_weight	37701.6 kDa
EC 编号 ec_number	2.3.1.85
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	C,L

VDKRESYTKEDLLASGRGELFGAKGPQLPAPNMLMMDRVVKMTETGGNFDKGYVEAELDINPDLWFFGCHFIGDPVMPGCLGLDAMWQLVGFYLGWLGGEGKGRALGVGEVKFTGQVLPTAKKVTYRIHFKRIVNRRLIMGLADGEVLVDGRLIYTASDLKVGLFQDTSAFVDKRESYTKEDLLASGRGELFGAKGPQLPAPNMLMMDRVVKMTETGGNFDKGYVEAELDINPDLWFFGCHFIGDPVMPGCLGLDAMWQLVGFYLGWLGGEGKGRALGVGEVKFTGQVLPTAKKVTYRIHFKRIVNRRLIMGLADGEVLVDGRLIYTASDLKVGLFQDTSAF

Entity 4 polymer

描述 description	FATTY ACID SYNTHASE, ER DOMAIN
分子量 formula_weight	31513.0 kDa
EC 编号 ec_number	2.3.1.85
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	D,M

MKAWVLKRLGGPLELVDLPEPEAEEGEVVLRVEAVGLNFADHLMRLGAYLTRLHPPFIPGMEVVGVVEGRRYAALVPQGGLAERVAVPKGALLPLPEGLSPEEAAAFPVSFLTAYLALKRAQARPGEKVLVQAAAGALGTAAVQVARAMGLRVLAAASRPEKLALPLALGAEEAATYAEVPERAKAWGGLDLVLEVRGKEVEESLGLLAHGGRLVYIAPIPPLRLMRRNLAVLGFWLTPLLREGALVEEALGFLLPRLGRELRPVVGPVFPFAEAEAAFRALLDRGHTGKVVVRL

Entity 5 polymer

描述 description	FATTY ACID SYNTHASE, KR DOMAIN
分子量 formula_weight	23702.1 kDa
EC 编号 ec_number	2.3.1.85
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	E,N

MNFEGKIALVTGASRGIGRAIAETLAARGAKVIGTATSENGAQAISDYLGANGKGLMLNVTDPASIESVLEKIRAEFGEVDILVNNAGITRDNLLMRMKDEEWNDIIETNLSSVFRLSKAVMRAMMKKRHGRIITIGGQANYAAAKAGLIGFSKSLAREVASRGITVNVVAPGFIETSDDQRAGILAQVPAGRLGGAQEIANAVAFLASDEAAYITGETLHVNGGM

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6. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d2cf2a1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.95 — Thiolase-like
超家族 Superfamily superfamily	c.95.1 — Thiolase-like
家族 Family family	c.95.1.1 — Thiolase-related

结构域编号 domain_id	d2cf2a2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.95 — Thiolase-like
超家族 Superfamily superfamily	c.95.1 — Thiolase-like
家族 Family family	c.95.1.1 — Thiolase-related

结构域编号 domain_id	d2cf2c1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.38 — Thioesterase/thiol ester dehydrase-isomerase
超家族 Superfamily superfamily	d.38.1 — Thioesterase/thiol ester dehydrase-isomerase
家族 Family family	d.38.1.2 — beta-Hydroxydecanol thiol ester dehydrase

结构域编号 domain_id	d2cf2e1
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.26 — Fatty acid synthase
超家族 Superfamily superfamily	i.26.1 — Fatty acid synthase
家族 Family family	i.26.1.1 — Fatty acid syntase

结构域编号 domain_id	d2cf2j1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.95 — Thiolase-like
超家族 Superfamily superfamily	c.95.1 — Thiolase-like
家族 Family family	c.95.1.1 — Thiolase-related

结构域编号 domain_id	d2cf2j2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.95 — Thiolase-like
超家族 Superfamily superfamily	c.95.1 — Thiolase-like
家族 Family family	c.95.1.1 — Thiolase-related

结构域编号 domain_id	d2cf2l1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.38 — Thioesterase/thiol ester dehydrase-isomerase
超家族 Superfamily superfamily	d.38.1 — Thioesterase/thiol ester dehydrase-isomerase
家族 Family family	d.38.1.2 — beta-Hydroxydecanol thiol ester dehydrase

结构域编号 domain_id	d2cf2n1
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.26 — Fatty acid synthase
超家族 Superfamily superfamily	i.26.1 — Fatty acid synthase
家族 Family family	i.26.1.1 — Fatty acid syntase

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7. 引用文献 (1)

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晶胞边长 a length_a	96.100 Å
晶胞边长 b length_b	245.000 Å
晶胞边长 c length_c	134.100 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	101.20 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	4

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	4.300 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	—
R_work r_work	—
R_free r_free	—

fit	/app/data/saxs_computation/cf/2cf2/2cf2.fit
pddf	/app/data/pr_computation/cf/2cf2/2cf2.pr.out
profile	/app/data/saxs_computation/cf/2cf2/2cf2.dat

Architecture of mammalian fatty acid synthase

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 (5)

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

Entity 5 polymer

聚合体 Polymer

6. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (8 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)