8t3k

Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to ATP: BmrCD_IF-ATP2

Method: ELECTRON MICROSCOPY D_max: 150.5 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	8t3k
沉积日期 deposition_date	2023-06-07
结构标题 title	Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to ATP: BmrCD_IF-ATP2
关键词 keywords	transporter, complex, lipids, MEMBRANE PROTEIN, TRANSLOCASE; TRANSLOCASE
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	42.35 Å
回转半径 Rg (电子) rg_electron	42.51 Å
零角强度 I(0) i0	266611000.00
分子量 molecular_weight	142590.0 kDa
排除体积 excluded_volume	182610 Å³
包络体积 envelope_volume	255300 Å³
水化壳体积 shell_volume	53164 Å³
包络直径 envelope_diameter	147.5 Å
壳层 Rg shell_rg	44.72 Å
包络 Rg envelope_rg	41.67 Å
形状 Rg shape_rg	42.54 Å
总 Rg total_rg	42.53 Å
总原子数 total_atoms	20376
残基数 n_residues	1204
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	150.5 Å
Rg (实空间) rg_real	42.69 Å
Rg 误差 (实空间) rg_real_error	1.46 Å
I(0) (实空间) i0_real	2.6660e+08
I(0) 误差 (实空间) i0_real_error	4.6120e+06
Rg (倒空间) rg_reciprocal	42.36 Å
I(0) (倒空间) i0_reciprocal	266500000.0000
解质量估计 total_estimate	0.8296
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	44.7 Å
偏度 Skewness skewness	0.566
峰度 Kurtosis kurtosis	-0.188
角度范围 angular_range	— – 0.1850 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	26230000.0000
实空间数据点数 n_real_points	38
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.729; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.871; Smooth: 0.724

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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	Probable multidrug resistance ABC transporter ATP-binding/permease protein YheH
分子量 formula_weight	77369.9 kDa
EC 编号 ec_number	7.6.2.-
突变 mutation	C154A,C256A,C351A,E592Q
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	D
原子数 atom_count	20376

MKIGKTLWRYALLYRKLLITAVLLLTVAVGAELTGPFIGKKMIDDHILGIEKTWYEAAEKDKNAVQFHGVSYVREDRLQEPVSKAKEAHIYQVGMAFYFVDQAVSFDGNRTVSDGKLTITNGDKSRAYAAEKLTKQELFQFYQPEIKGMVLLIALYGGLLVFSVFFQYGQHYLLQMSANRIIQKMRQDVFSHIQKMPIRYFDNLPAGKVVARITNDTEAIRDLYVTVLSTFVTSGIYMFGIFTALFLLDVKLAFVALAIVPIIWLWSVIYRRYASYYNQKIRSINSDINAKMNESIQGMTIIQAFRHQKETMREFEELNESHFYFQNRMLNLNSLMSHNLVNVIRNLAFVALIWHFGGASLNAAGIVSIGVLYAFVDYLNRLFQPITGIVNQFSKLELARVSAGRVFELLEEKNTEEAGEPAKERALGRVEFRDVSFAYQEGEEVLKHISFTAQKGETVALVGHTGSGKSSILNLLFRFYDAQKGDVLIDGKSIYNMSRQELRSHMGIVLQDPYLFSGTIGSNVSLDDERMTEEEIKNALRQVGAEPLLKKLPKGINEPVIEKGSTLSSGERQLISFARALAFDPAILILDQATAHIDTETEAVIQKALDVVKQGRTTFVIAHRLSTIRNADQILVLDKGEIVERGNHEELMALEGQYYQMYELQKGQKHSIALEHHHHHH

来源 Source

来源生物 organism	Bacillus subtilis subsp. subtilis str. 168
NCBI 分类编号 ncbi_taxonomy_id	224308
宿主生物 host_organism	Escherichia coli

Entity 2 polymer

描述 description	Probable multidrug resistance ABC transporter ATP-binding/permease protein YheI
分子量 formula_weight	67603.0 kDa
EC 编号 ec_number	7.6.2.-
突变 mutation	D500Q
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

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

MGSSHHHHHHSSGLVPRGSHMLEFSVLKKLGWFFKAYWLRYTIAIVLLLAVNVIEMFPPKLLGNAIDDMKAGAFTAEGLLFYIGIFFVLTAAVYIMSYFWMHQLFGGANLMEKILRTKLMGHLLTMSPPFYEKNRTGDLMARGTNDLQAVSLTTGFGILTLVDSTMFMMTIFLTMGFLISWKLTFAAIIPLPVMAIAISLYGSKIHERFTEAQNAFGALNDRVLESVSGVRVIRAYVQETNDVRRFNEMTADVYQKNMKVAFIDSLFEPTVKLLVGASYLIGLGYGAFLVFRNELTLGELVSFNVYLGMMIWPMFAIGELINVMQRGNASLDRVNETLSYETDVTDPKQPADLKEPGDIVFSHVSFTYPSSTSDNLQDISFTVRKGQTVGIAGKTGSGKTTIIKQLLRQYPPGEGSITFSGVPIQQIPLDRLRGWIGYVPQDHLLFSRTVKENILYGKQDATDKEVQQAIAEAHFEKDLHMLPSGLETMVGEKGVALSGGQKQRISIARALMANPEILILDQSLSAVDAKTEAAIIKNIRENRKGKTTFILTHRLSAVEHADLILVMDGGVIAERGTHQELLANNGWYREQYERQQLFTAEEGGAGA

来源 Source

来源生物 organism	Bacillus subtilis subsp. subtilis str. 168
NCBI 分类编号 ncbi_taxonomy_id	224308
宿主生物 host_organism	Escherichia coli

Entity 3 non-polymer

描述 description	(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
分子量 formula_weight	760.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	13

Entity 4 non-polymer

描述 description	ADENOSINE-5'-TRIPHOSPHATE
分子量 formula_weight	507.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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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	—

分辨率 resolution	3.33 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	76190

fit	/app/data/saxs_computation/t3/8t3k/8t3k.fit
pddf	/app/data/pr_computation/t3/8t3k/8t3k.pr.out
profile	/app/data/saxs_computation/t3/8t3k/8t3k.dat

Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to ATP: BmrCD_IF-ATP2

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 (4)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 non-polymer

Entity 4 non-polymer

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)