1mt5

CRYSTAL STRUCTURE OF FATTY ACID AMIDE HYDROLASE

Method: X-RAY DIFFRACTION D_max: 207.4 Å Quality: GOOD

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

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1mt5
沉积日期 deposition_date	2002-09-20
结构标题 title	CRYSTAL STRUCTURE OF FATTY ACID AMIDE HYDROLASE
关键词 keywords	AMIDASE SIGNATURE, HYDROLASE; HYDROLASE
实验方法 method	X-RAY DIFFRACTION

▼

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	66.51 Å
回转半径 Rg (电子) rg_electron	65.68 Å
零角强度 I(0) i0	11017700000.00
分子量 molecular_weight	918820.0 kDa
排除体积 excluded_volume	1160400 Å³
包络体积 envelope_volume	1634800 Å³
水化壳体积 shell_volume	197160 Å³
包络直径 envelope_diameter	205.2 Å
壳层 Rg shell_rg	76.26 Å
包络 Rg envelope_rg	62.49 Å
形状 Rg shape_rg	65.68 Å
总 Rg total_rg	65.82 Å
总原子数 total_atoms	64524
残基数 n_residues	8592
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

▼

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	207.4 Å
Rg (实空间) rg_real	66.17 Å
Rg 误差 (实空间) rg_real_error	0.91 Å
I(0) (实空间) i0_real	1.1020e+10
I(0) 误差 (实空间) i0_real_error	1.8330e+08
Rg (倒空间) rg_reciprocal	67.60 Å
I(0) (倒空间) i0_reciprocal	11050000000.0000
解质量估计 total_estimate	0.8027
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	95.0 Å
偏度 Skewness skewness	-0.072
峰度 Kurtosis kurtosis	-0.508
角度范围 angular_range	— – 0.1200 Å⁻¹
当前正则化参数 α current_alpha	0.0010
最高正则化参数 α highest_alpha	793400000.0000
实空间数据点数 n_real_points	25
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.838; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.918; Smooth: 0.000

▶

4. 晶体学与实验 4. Crystallography & Experiment

▶

5. 实体与聚合体信息 (2)

Entity 1 polymer

描述 description	Fatty-acid amide hydrolase
分子量 formula_weight	58943.0 kDa
EC 编号 ec_number	3.1.-.-
来源方法 src_method	man
拷贝数 entity_count	16

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P
原子数 atom_count	64524

ARGAATRARQKQRASLETMDKAVQRFRLQNPDLDSEALLTLPLLQLVQKLQSGELSPEAVFFTYLGKAWEVNKGTNCVTSYLTDCETQLSQAPRQGLLYGVPVSLKECFSYKGHDSTLGLSLNEGMPSESDCVVVQVLKLQGAVPFVHTNVPQSMLSFDCSNPLFGQTMNPWKSSKSPGGSSGGEGALIGSGGSPLGLGTDIGGSIRFPSAFCGICGLKPTGNRLSKSGLKGCVYGQTAVQLSLGPMARDVESLALCLKALLCEHLFTLDPTVPPLPFREEVYRSSRPLRVGYYETDNYTMPSPAMRRALIETKQRLEAAGHTLIPFLPNNIPYALEVLSAGGLFSDGGRSFLQNFKGDFVDPCLGDLILILRLPSWFKRLLSLLLKPLFPRLAAFLNSMRPRSAEKLWKLQHEIEMYRQSVIAQWKAMNLDVLLTPMLGPALDLNTPGRATGAISYTVLYNCLDFPAGVVPVTTVTAEDDAQMELYKGYFGDIWDIILKKAMKNSVGLPVAVQCVALPWQEELCLRFMREVEQLMT

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 BL21

Entity 2 non-polymer

描述 description	METHYL ARACHIDONYL FLUOROPHOSPHONATE
分子量 formula_weight	370.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	16

▼

6. 折叠分类 (SCOP + CATH) 32 domains

SCOP 2.08 (16 domains)

结构域编号 domain_id	d1mt5a_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5b_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5c_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5d_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5e_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5f_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5g_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5h_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5i_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5j_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5k_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5l_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5m_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5n_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5o_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

结构域编号 domain_id	d1mt5p_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.117 — Amidase signature (AS) enzymes
超家族 Superfamily superfamily	c.117.1 — Amidase signature (AS) enzymes
家族 Family family	c.117.1.1 — Amidase signature (AS) enzymes

CATH v4.4 (16 domains)

结构域编号 domain_id	1mt5A00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5B00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5C00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5D00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5E00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5F00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5G00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5H00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5I00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5J00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5K00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5L00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5M00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5N00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5O00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

结构域编号 domain_id	1mt5P00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1300 — Amidase signature (AS) enzymes
同源超家族 H-superfamily homologous superfamily	10 — Amidase signature (AS) domain

▶

7. 引用文献 (1)

▶

晶胞边长 a length_a	147.107 Å
晶胞边长 b length_b	272.019 Å
晶胞边长 c length_c	147.216 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	115.21 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	32

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	2.800 Å
最低分辨率 resolution_low	141.420 Å
R 因子 r_factor	0.2206
R_work r_work	0.2184
R_free r_free	0.2623

fit	/app/data/saxs_computation/mt/1mt5/1mt5.fit
pddf	/app/data/pr_computation/mt/1mt5/1mt5.pr.out
profile	/app/data/saxs_computation/mt/1mt5/1mt5.dat

CRYSTAL STRUCTURE OF FATTY ACID AMIDE HYDROLASE

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