1lnq

CRYSTAL STRUCTURE OF MTHK AT 3.3 A

Method: X-RAY DIFFRACTION D_max: 134.0 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

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1lnq
沉积日期 deposition_date	2002-05-03
结构标题 title	CRYSTAL STRUCTURE OF MTHK AT 3.3 A
关键词 keywords	rossmann fold, helix bundle, membrane protein, METAL TRANSPORT; METAL TRANSPORT
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	46.24 Å
回转半径 Rg (电子) rg_electron	45.39 Å
零角强度 I(0) i0	962321000.00
分子量 molecular_weight	240040.0 kDa
排除体积 excluded_volume	294240 Å³
包络体积 envelope_volume	458570 Å³
水化壳体积 shell_volume	84590 Å³
包络直径 envelope_diameter	142.8 Å
壳层 Rg shell_rg	49.62 Å
包络 Rg envelope_rg	44.06 Å
形状 Rg shape_rg	45.49 Å
总 Rg total_rg	45.25 Å
总原子数 total_atoms	16896
残基数 n_residues	2408
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	134.0 Å
Rg (实空间) rg_real	45.92 Å
Rg 误差 (实空间) rg_real_error	0.73 Å
I(0) (实空间) i0_real	9.6230e+08
I(0) 误差 (实空间) i0_real_error	1.7090e+07
Rg (倒空间) rg_reciprocal	46.24 Å
I(0) (倒空间) i0_reciprocal	962700000.0000
解质量估计 total_estimate	0.8680
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	0
主峰位置 r_peak_primary	— Å
偏度 Skewness skewness	0.062
峰度 Kurtosis kurtosis	-0.366
角度范围 angular_range	— – 0.1700 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	66470000.0000
实空间数据点数 n_real_points	35
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.970; Smooth: 0.518

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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 (2)

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6. 折叠分类 (SCOP + CATH) 56 domains

SCOP 2.08 (24 domains)

结构域编号 domain_id	d1lnqa2
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.14 — Gated ion channels
超家族 Superfamily superfamily	f.14.1 — Voltage-gated ion channels
家族 Family family	f.14.1.1 — Voltage-gated potassium channels

结构域编号 domain_id	d1lnqa3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.2 — NAD(P)-binding Rossmann-fold domains
超家族 Superfamily superfamily	c.2.1 — NAD(P)-binding Rossmann-fold domains
家族 Family family	c.2.1.9 — Potassium channel NAD-binding domain

结构域编号 domain_id	d1lnqa4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.286 — TrkA C-terminal domain-like
超家族 Superfamily superfamily	d.286.1 — TrkA C-terminal domain-like
家族 Family family	d.286.1.1 — TrkA C-terminal domain-like

结构域编号 domain_id	d1lnqb2
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.14 — Gated ion channels
超家族 Superfamily superfamily	f.14.1 — Voltage-gated ion channels
家族 Family family	f.14.1.1 — Voltage-gated potassium channels

结构域编号 domain_id	d1lnqb3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.2 — NAD(P)-binding Rossmann-fold domains
超家族 Superfamily superfamily	c.2.1 — NAD(P)-binding Rossmann-fold domains
家族 Family family	c.2.1.9 — Potassium channel NAD-binding domain

结构域编号 domain_id	d1lnqb4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.286 — TrkA C-terminal domain-like
超家族 Superfamily superfamily	d.286.1 — TrkA C-terminal domain-like
家族 Family family	d.286.1.1 — TrkA C-terminal domain-like

结构域编号 domain_id	d1lnqc2
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.14 — Gated ion channels
超家族 Superfamily superfamily	f.14.1 — Voltage-gated ion channels
家族 Family family	f.14.1.1 — Voltage-gated potassium channels

结构域编号 domain_id	d1lnqc3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.2 — NAD(P)-binding Rossmann-fold domains
超家族 Superfamily superfamily	c.2.1 — NAD(P)-binding Rossmann-fold domains
家族 Family family	c.2.1.9 — Potassium channel NAD-binding domain

结构域编号 domain_id	d1lnqc4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.286 — TrkA C-terminal domain-like
超家族 Superfamily superfamily	d.286.1 — TrkA C-terminal domain-like
家族 Family family	d.286.1.1 — TrkA C-terminal domain-like

结构域编号 domain_id	d1lnqd2
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.14 — Gated ion channels
超家族 Superfamily superfamily	f.14.1 — Voltage-gated ion channels
家族 Family family	f.14.1.1 — Voltage-gated potassium channels

结构域编号 domain_id	d1lnqd3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.2 — NAD(P)-binding Rossmann-fold domains
超家族 Superfamily superfamily	c.2.1 — NAD(P)-binding Rossmann-fold domains
家族 Family family	c.2.1.9 — Potassium channel NAD-binding domain

结构域编号 domain_id	d1lnqd4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.286 — TrkA C-terminal domain-like
超家族 Superfamily superfamily	d.286.1 — TrkA C-terminal domain-like
家族 Family family	d.286.1.1 — TrkA C-terminal domain-like

结构域编号 domain_id	d1lnqe2
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.14 — Gated ion channels
超家族 Superfamily superfamily	f.14.1 — Voltage-gated ion channels
家族 Family family	f.14.1.1 — Voltage-gated potassium channels

结构域编号 domain_id	d1lnqe3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.2 — NAD(P)-binding Rossmann-fold domains
超家族 Superfamily superfamily	c.2.1 — NAD(P)-binding Rossmann-fold domains
家族 Family family	c.2.1.9 — Potassium channel NAD-binding domain

结构域编号 domain_id	d1lnqe4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.286 — TrkA C-terminal domain-like
超家族 Superfamily superfamily	d.286.1 — TrkA C-terminal domain-like
家族 Family family	d.286.1.1 — TrkA C-terminal domain-like

结构域编号 domain_id	d1lnqf2
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.14 — Gated ion channels
超家族 Superfamily superfamily	f.14.1 — Voltage-gated ion channels
家族 Family family	f.14.1.1 — Voltage-gated potassium channels

结构域编号 domain_id	d1lnqf3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.2 — NAD(P)-binding Rossmann-fold domains
超家族 Superfamily superfamily	c.2.1 — NAD(P)-binding Rossmann-fold domains
家族 Family family	c.2.1.9 — Potassium channel NAD-binding domain

结构域编号 domain_id	d1lnqf4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.286 — TrkA C-terminal domain-like
超家族 Superfamily superfamily	d.286.1 — TrkA C-terminal domain-like
家族 Family family	d.286.1.1 — TrkA C-terminal domain-like

结构域编号 domain_id	d1lnqg2
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.14 — Gated ion channels
超家族 Superfamily superfamily	f.14.1 — Voltage-gated ion channels
家族 Family family	f.14.1.1 — Voltage-gated potassium channels

结构域编号 domain_id	d1lnqg3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.2 — NAD(P)-binding Rossmann-fold domains
超家族 Superfamily superfamily	c.2.1 — NAD(P)-binding Rossmann-fold domains
家族 Family family	c.2.1.9 — Potassium channel NAD-binding domain

结构域编号 domain_id	d1lnqg4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.286 — TrkA C-terminal domain-like
超家族 Superfamily superfamily	d.286.1 — TrkA C-terminal domain-like
家族 Family family	d.286.1.1 — TrkA C-terminal domain-like

结构域编号 domain_id	d1lnqh2
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.14 — Gated ion channels
超家族 Superfamily superfamily	f.14.1 — Voltage-gated ion channels
家族 Family family	f.14.1.1 — Voltage-gated potassium channels

结构域编号 domain_id	d1lnqh3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.2 — NAD(P)-binding Rossmann-fold domains
超家族 Superfamily superfamily	c.2.1 — NAD(P)-binding Rossmann-fold domains
家族 Family family	c.2.1.9 — Potassium channel NAD-binding domain

结构域编号 domain_id	d1lnqh4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.286 — TrkA C-terminal domain-like
超家族 Superfamily superfamily	d.286.1 — TrkA C-terminal domain-like
家族 Family family	d.286.1.1 — TrkA C-terminal domain-like

CATH v4.4 (32 domains)

结构域编号 domain_id	1lnqA01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily	70 —

结构域编号 domain_id	1lnqA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	720 — NAD(P)-binding Rossmann-like Domain

结构域编号 domain_id	1lnqA03
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	870 — Voltage-gated potassium channel

结构域编号 domain_id	1lnqA04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	1450 — Regulator of K+ conductance, C-terminal domain

结构域编号 domain_id	1lnqB01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily	70 —

结构域编号 domain_id	1lnqB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	720 — NAD(P)-binding Rossmann-like Domain

结构域编号 domain_id	1lnqB03
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	870 — Voltage-gated potassium channel

结构域编号 domain_id	1lnqB04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	1450 — Regulator of K+ conductance, C-terminal domain

结构域编号 domain_id	1lnqC01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily	70 —

结构域编号 domain_id	1lnqC02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	720 — NAD(P)-binding Rossmann-like Domain

结构域编号 domain_id	1lnqC03
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	870 — Voltage-gated potassium channel

结构域编号 domain_id	1lnqC04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	1450 — Regulator of K+ conductance, C-terminal domain

结构域编号 domain_id	1lnqD01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily	70 —

结构域编号 domain_id	1lnqD02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	720 — NAD(P)-binding Rossmann-like Domain

结构域编号 domain_id	1lnqD03
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	870 — Voltage-gated potassium channel

结构域编号 domain_id	1lnqD04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	1450 — Regulator of K+ conductance, C-terminal domain

结构域编号 domain_id	1lnqE01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily	70 —

结构域编号 domain_id	1lnqE02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	720 — NAD(P)-binding Rossmann-like Domain

结构域编号 domain_id	1lnqE03
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	870 — Voltage-gated potassium channel

结构域编号 domain_id	1lnqE04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	1450 — Regulator of K+ conductance, C-terminal domain

结构域编号 domain_id	1lnqF01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily	70 —

结构域编号 domain_id	1lnqF02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	720 — NAD(P)-binding Rossmann-like Domain

结构域编号 domain_id	1lnqF03
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	870 — Voltage-gated potassium channel

结构域编号 domain_id	1lnqF04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	1450 — Regulator of K+ conductance, C-terminal domain

结构域编号 domain_id	1lnqG01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily	70 —

结构域编号 domain_id	1lnqG02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	720 — NAD(P)-binding Rossmann-like Domain

结构域编号 domain_id	1lnqG03
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	870 — Voltage-gated potassium channel

结构域编号 domain_id	1lnqG04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	1450 — Regulator of K+ conductance, C-terminal domain

结构域编号 domain_id	1lnqH01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily	70 —

结构域编号 domain_id	1lnqH02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	720 — NAD(P)-binding Rossmann-like Domain

结构域编号 domain_id	1lnqH03
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	870 — Voltage-gated potassium channel

结构域编号 domain_id	1lnqH04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	1450 — Regulator of K+ conductance, C-terminal domain

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7. 引用文献 (2)

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晶胞边长 a length_a	137.000 Å
晶胞边长 b length_b	137.000 Å
晶胞边长 c length_c	373.300 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	48

空间群 space_group	P 61
空间群编号 int_tables_number	169
晶系 crystal_system	—

分辨率 resolution	3.300 Å
最低分辨率 resolution_low	46.450 Å
R 因子 r_factor	0.3010
R_work r_work	0.3010
R_free r_free	0.3180

描述 description	POTASSIUM CHANNEL RELATED PROTEIN
分子量 formula_weight	37356.2 kDa
来源方法 src_method	man
拷贝数 entity_count	8

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H
原子数 atom_count	16896

CRYSTAL STRUCTURE OF MTHK AT 3.3 A

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

5. 实体与聚合体信息 (2)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 non-polymer

6. 折叠分类 (SCOP + CATH) 56 domains

SCOP 2.08 (24 domains)

CATH v4.4 (32 domains)

7. 引用文献 (2)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	Methanothermobacter thermautotrophicus
NCBI 分类编号 ncbi_taxonomy_id	145262
宿主生物 host_organism	Escherichia coli

描述 description	CALCIUM ION
分子量 formula_weight	40.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	8

fit	/app/data/saxs_computation/ln/1lnq/1lnq.fit
pddf	/app/data/pr_computation/ln/1lnq/1lnq.pr.out
profile	/app/data/saxs_computation/ln/1lnq/1lnq.dat