9g05

Structure of MadB, a class I dehydrates from Clostridium maddingley, in complex with its substrate

Method: ELECTRON MICROSCOPY D_max: 130.0 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	9g05
沉积日期 deposition_date	2024-07-07
最后修订 last_revision	2025-07-16
结构标题 title	Structure of MadB, a class I dehydrates from Clostridium maddingley, in complex with its substrate
关键词 keywords	lanthipeptides, dehydratases, cryo-EM structure, class I lantibiotic, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC PROTEIN
实验方法 method	ELECTRON MICROSCOPY

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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	43.34 Å
回转半径 Rg (电子) rg_electron	42.70 Å
零角强度 I(0) i0	843102000.00
分子量 molecular_weight	246140.0 kDa
排除体积 excluded_volume	310830 Å³
包络体积 envelope_volume	436810 Å³
水化壳体积 shell_volume	82518 Å³
包络直径 envelope_diameter	137.3 Å
壳层 Rg shell_rg	50.37 Å
包络 Rg envelope_rg	41.30 Å
形状 Rg shape_rg	42.70 Å
总 Rg total_rg	43.10 Å
总原子数 total_atoms	34632
残基数 n_residues	2078
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	130.0 Å
Rg (实空间) rg_real	43.09 Å
Rg 误差 (实空间) rg_real_error	0.57 Å
I(0) (实空间) i0_real	8.4310e+08
I(0) 误差 (实空间) i0_real_error	1.3270e+07
Rg (倒空间) rg_reciprocal	43.34 Å
I(0) (倒空间) i0_reciprocal	843300000.0000
解质量估计 total_estimate	0.6477
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	57.8 Å
偏度 Skewness skewness	0.107
峰度 Kurtosis kurtosis	-0.470
角度范围 angular_range	— – 0.1800 Å⁻¹
当前正则化参数 α current_alpha	0.0001
最高正则化参数 α highest_alpha	127100000.0000
实空间数据点数 n_real_points	37
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.952; Stabil: 1.000; Sysdev: 0.005; Positv: 1.000; Valcen: 0.970; Smooth: 0.575

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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)

Entity 1 polymer

描述 description	Thiopeptide-type bacteriocin biosynthesis domain containing protein
分子量 formula_weight	123092.3 kDa
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	34632

MRDLYRNTNTFMIRTPIFSIDNYYEFFRKDGESDKIKDRLLEICNNSVFREAILVSSKSLYSTIIDFCDGKEIKKFDYFLQSIYKYLIRMSMRPTPFGLFSGVDFGKYAEETVISYENDNFKKFARPDLEWIIKIVKELEDNHYKNLTFKINDSIFIKGERALLIHSTDKEDNNRIGEISIRATKPFMRTYDLAKDGIEYNKLKYILIDEYSIEDESKIDNFLKQLIEREFLISNLRPPLTVLDQFDYLINEVKKAEIEIPLVDELTEIKEKLKLYNETPVGAGEETYLELYKKMESVANVKNILQVDMKLNLRDKKINKKIISDVNDLMNILLDLSMSIENPEPFLSKYKQEFIEKYGQDREISLLEMLDNDIGIGPPMNYERPRNNRSLDVSVNELLDNNVRDYFMEKYFQALKTNSRNIAIRDDEIKNLELQKIDYENIPDSLEINLLVKNKSEDNLSDEFQYYIGPNLGSTSAGKSFGRFSHMMSEPKKFFEELDERNIELIDSEEYVTCEISYLPSEVRNANVTRNIHSSEYEMSLFTNGSKDNLYRIKLNDIYIGLENNTFYAKSKTLNKKLLLTINNMLNPQTAPNAIRFLNDISLDEKKLWYKFVWSDVYKDFSYIPAIKYKNFVIMPETWKMNKINMKINKKTEFNEFKNQFNDYRIKYGVPQYVYITFADNRILLNLDDEQCVKILYHECKNSFNEIILNSYEEEGVNIVKESHKDYICELVIPLTKIKQETISDKVSARMLSSDISSLSKERVKDPFDEWLYIKLYGISSNVDDLIAYYISEFCNELVEEEIISKYFFMRYVDPEQHIRLRLNSSQEKLLMIYPKIREWLSMIRKKGLMTYFSIDSYDREIERYGGIELINIAEKVFFFDSIVTEDILRAKREGSFDFCDEIIGMISVVHYMESFGLPYAKQVEFLRSQVSSSEYREDFKQKRTEYMKLCNSNKDWEGLRESEEGNILIEILNKRRKIIEYYGNKVRENEEVSTDLSILDSIIHLNCNRMFGIDREFEKKVRALASHALYALKHFKS

来源 Source

来源生物 organism	Clostridium sp. Maddingley MBC34-26
NCBI 分类编号 ncbi_taxonomy_id	1196322
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 2 polymer

描述 description	Lantibiotic, gallidermin/nisin family
分子量 formula_weight	5879.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

聚合体 Polymer

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

MGKLDDFDLDVKVKADTTKVGPAITSKSLCTPGCITGVLMCITQNSCVSCKSCIKC

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7. 引用文献 (1)

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晶胞边长 a length_a	1.000 Å
晶胞边长 b length_b	1.000 Å
晶胞边长 c length_c	1.000 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	—

空间群 space_group	P 1
空间群编号 int_tables_number	1
晶系 crystal_system	triclinic

分辨率 resolution	3.13 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	994872

fit	/app/data/saxs_computation/g0/9g05/9g05.fit
pddf	/app/data/pr_computation/g0/9g05/9g05.pr.out
profile	/app/data/saxs_computation/g0/9g05/9g05.dat

Structure of MadB, a class I dehydrates from Clostridium maddingley, in complex with its substrate

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

冷冻电镜 EM 3D

5. 实体与聚合体信息 (2)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)