1g8x

STRUCTURE OF A GENETICALLY ENGINEERED MOLECULAR MOTOR

Method: X-RAY DIFFRACTION D_max: 210.4 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	1g8x
沉积日期 deposition_date	2000-11-21
结构标题 title	STRUCTURE OF A GENETICALLY ENGINEERED MOLECULAR MOTOR
关键词 keywords	myosin, motor, alpha-actinin, dictyostelium, lever arm, protein engineering, structural protein; STRUCTURAL 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	58.91 Å
回转半径 Rg (电子) rg_electron	60.03 Å
零角强度 I(0) i0	778198000.00
分子量 molecular_weight	230700.0 kDa
排除体积 excluded_volume	288590 Å³
包络体积 envelope_volume	493680 Å³
水化壳体积 shell_volume	76177 Å³
包络直径 envelope_diameter	294.2 Å
壳层 Rg shell_rg	54.26 Å
包络 Rg envelope_rg	63.17 Å
形状 Rg shape_rg	60.08 Å
总 Rg total_rg	59.66 Å
总原子数 total_atoms	16278
残基数 n_residues	2018
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	210.4 Å
Rg (实空间) rg_real	59.26 Å
Rg 误差 (实空间) rg_real_error	2.34 Å
I(0) (实空间) i0_real	7.7560e+08
I(0) 误差 (实空间) i0_real_error	1.7990e+07
Rg (倒空间) rg_reciprocal	57.83 Å
I(0) (倒空间) i0_reciprocal	775300000.0000
解质量估计 total_estimate	0.5338
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	54.5 Å
偏度 Skewness skewness	0.731
峰度 Kurtosis kurtosis	0.036
角度范围 angular_range	— – 0.1350 Å⁻¹
当前正则化参数 α current_alpha	0.0060
最高正则化参数 α highest_alpha	45330000.0000
实空间数据点数 n_real_points	28
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.001; Oscil: 0.587; Stabil: 0.998; Sysdev: 0.009; Positv: 1.000; Valcen: 0.623; Smooth: 0.523

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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 (4)

Entity 1 polymer

描述 description	MYOSIN II HEAVY CHAIN FUSED TO ALPHA-ACTININ 3
分子量 formula_weight	115208.9 kDa
突变 mutation	ARG238GLU
来源方法 src_method	man
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	16292

MNPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPDERDSYECGEIVSETSDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPAVFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEVAPHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAGRNQANGSGVLEQQILQANPILEAFGNAKTTRNNNSSEFGKFIEIQFNNAGFISGASIQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNYLNQSGCVDIKGVSDEDEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGNIKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVAQHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCSERKAYFIGVLDISGFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKVEQEEYLKEKINWTFIDFGLDSQATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEPRFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKLFNDPNIASRAKKGANFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQLPAKLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYLLAPNVPRDAEDSQKATDAVLKHLNIDPEQYRFGITKIFFRAGQLARIEEAREQRLGSEQTKSDYLKRANELVQWINDKQASLESRDFGDSIESVQSFMNAHKEYKKTEKPPKGQEVSELEAIYNSLQTKLRLIKREPFVAPAGLTPNEIDSTWSALEKAEQEHAEALRIELKRQKKIAVLLQKYNRILKKLENWATTKSVYLGSNETGDSITAVQAKLKNLEAFDGECQSLEGQSNSDLLSILAQLTELNYNGVPELTERKDTFFAQQWTGVKSSAETYKNTLLAELERLQKIEDLHHHHHHH

来源 Source

来源生物 organism	Dictyostelium discoideum
NCBI 分类编号 ncbi_taxonomy_id	44689
宿主生物 host_organism	Dictyostelium discoideum

Entity 2 non-polymer

描述 description	MAGNESIUM ION
分子量 formula_weight	24.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 3 non-polymer

描述 description	ADENOSINE-5'-DIPHOSPHATE
分子量 formula_weight	427.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 4 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	14

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6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d1g8xa1
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.1 — Hybrid and chimeric proteins
超家族 Superfamily superfamily	k.1.1 — Hybrid and chimeric proteins
家族 Family family	k.1.1.1 — Hybrid and chimeric proteins

结构域编号 domain_id	d1g8xa2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1g8xb1
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.1 — Hybrid and chimeric proteins
超家族 Superfamily superfamily	k.1.1 — Hybrid and chimeric proteins
家族 Family family	k.1.1.1 — Hybrid and chimeric proteins

结构域编号 domain_id	d1g8xb2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

CATH v4.4 (12 domains)

结构域编号 domain_id	1g8xA01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	360 — Myosin S1 fragment, N-terminal

结构域编号 domain_id	1g8xA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	850 — Kinesin
同源超家族 H-superfamily homologous superfamily	10 — Kinesin motor domain

结构域编号 domain_id	1g8xA03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily	820 —

结构域编号 domain_id	1g8xA04
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	120 — Four Helix Bundle (Hemerythrin (Met), subunit A)
同源超家族 H-superfamily homologous superfamily	720 — Myosin VI head, motor domain, U50 subdomain

结构域编号 domain_id	1g8xA05
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	530 —

结构域编号 domain_id	1g8xA06
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	60 —

结构域编号 domain_id	1g8xB01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	360 — Myosin S1 fragment, N-terminal

结构域编号 domain_id	1g8xB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	850 — Kinesin
同源超家族 H-superfamily homologous superfamily	10 — Kinesin motor domain

结构域编号 domain_id	1g8xB03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily	820 —

结构域编号 domain_id	1g8xB04
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	120 — Four Helix Bundle (Hemerythrin (Met), subunit A)
同源超家族 H-superfamily homologous superfamily	720 — Myosin VI head, motor domain, U50 subdomain

结构域编号 domain_id	1g8xB05
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	530 —

结构域编号 domain_id	1g8xB06
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	60 —

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7. 引用文献 (1)

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晶胞边长 a length_a	135.423 Å
晶胞边长 b length_b	155.420 Å
晶胞边长 c length_c	143.191 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	8

空间群 space_group	P 21 21 2
空间群编号 int_tables_number	18
晶系 crystal_system	—

分辨率 resolution	2.800 Å
最低分辨率 resolution_low	41.150 Å
R 因子 r_factor	0.2320
R_work r_work	0.2320
R_free r_free	0.2900

fit	/app/data/saxs_computation/g8/1g8x/1g8x.fit
pddf	/app/data/pr_computation/g8/1g8x/1g8x.pr.out
profile	/app/data/saxs_computation/g8/1g8x/1g8x.dat