2dhh

Crystal structure of a multidrug transporter reveal a functionally rotating mechanism

Method: X-RAY DIFFRACTION D_max: 140.5 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	2dhh
沉积日期 deposition_date	2006-03-23
结构标题 title	Crystal structure of a multidrug transporter reveal a functionally rotating mechanism
关键词 keywords	membrane transporter, membrane protein, multidrug efflux, drug resistance, transporter, exporter, antiporter; MEMBRANE 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	45.49 Å
回转半径 Rg (电子) rg_electron	44.92 Å
零角强度 I(0) i0	1451600000.00
分子量 molecular_weight	331710.0 kDa
排除体积 excluded_volume	421500 Å³
包络体积 envelope_volume	558320 Å³
水化壳体积 shell_volume	98214 Å³
包络直径 envelope_diameter	144.5 Å
壳层 Rg shell_rg	53.82 Å
包络 Rg envelope_rg	44.11 Å
形状 Rg shape_rg	44.92 Å
总 Rg total_rg	45.24 Å
总原子数 total_atoms	23322
残基数 n_residues	3066
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	140.5 Å
Rg (实空间) rg_real	45.22 Å
Rg 误差 (实空间) rg_real_error	0.78 Å
I(0) (实空间) i0_real	1.4520e+09
I(0) 误差 (实空间) i0_real_error	2.5110e+07
Rg (倒空间) rg_reciprocal	45.49 Å
I(0) (倒空间) i0_reciprocal	1452000000.0000
解质量估计 total_estimate	0.8782
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	60.2 Å
偏度 Skewness skewness	0.145
峰度 Kurtosis kurtosis	-0.432
角度范围 angular_range	— – 0.1750 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	234700000.0000
实空间数据点数 n_real_points	36
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.913; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.699

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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	ACRB
分子量 formula_weight	114217.7 kDa
来源方法 src_method	man
拷贝数 entity_count	3

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C
原子数 atom_count	23378

MPNFFIDRPIFAWVIAIIIMLAGGLAILKLPVAQYPTIAPPAVTISASYPGADAKTVQDTVTQVIEQNMNGIDNLMYMSSNSDSTGTVQITLTFESGTDADIAQVQVQNKLQLAMPLLPQEVQQQGVSVEKSSSSFLMVVGVINTDGTMTQEDISDYVAANMKDAISRTSGVGDVQLFGSQYAMRIWMNPNELNKFQLTPVDVITAIKAQNAQVAAGQLGGTPPVKGQQLNASIIAQTRLTSTEEFGKILLKVNQDGSRVLLRDVAKIELGGENYDIIAEFNGQPASGLGIKLATGANALDTAAAIRAELAKMEPFFPSGLKIVYPYDTTPFVKISIHEVVKTLVEAIILVFLVMYLFLQNFRATLIPTIAVPVVLLGTFAVLAAFGFSINTLTMFGMVLAIGLLVDDAIVVVENVERVMAEEGLPPKEATRKSMGQIQGALVGIAMVLSAVFVPMAFFGGSTGAIYRQFSITIVSAMALSVLVALILTPALCATMLKPIAKGDHGEGKKGFFGWFNRMFEKSTHHYTDSVGGILRSTGRYLVLYLIIVVGMAYLFVRLPSSFLPDEDQGVFMTMVQLPAGATQERTQKVLNEVTHYYLTKEKNNVESVFAVNGFGFAGRGQNTGIAFVSLKDWADRPGEENKVEAITMRATRAFSQIKDAMVFAFNLPAIVELGTATGFDFELIDQAGLGHEKLTQARNQLLAEAAKHPDMLTSVRPNGLEDTPQFKIDIDQEKAQALGVSINDINTTLGAAWGGSYVNDFIDRGRVKKVYVMSEAKYRMLPDDIGDWYVRAADGQMVPFSAFSSSRWEYGSPRLERYNGLPSMEILGQAAPGKSTGEAMELMEQLASKLPTGVGYDWTGMSYQERLSGNQAPSLYAISLIVVFLCLAALYESWSIPFSVMLVVPLGVIGALLAATFRGLTNDVYFQVGLLTTIGLSAKNAILIVEFAKDLMDKEGKGLIEATLDAVRMRLRPILMTSLAFILGVMPLVISTGAGSGAQNAVGTGVMGGMVTATVLAIFFVPVFFVVVRRRFSRKNEDIEHSHTVDHHHHHH

来源 Source

来源生物 organism	Escherichia coli
NCBI 分类编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli K12

Entity 2 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	56

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6. 折叠分类 (SCOP + CATH) 48 domains

SCOP 2.08 (24 domains)

结构域编号 domain_id	d2dhha1
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.35 — Multidrug efflux transporter AcrB transmembrane domain
超家族 Superfamily superfamily	f.35.1 — Multidrug efflux transporter AcrB transmembrane domain
家族 Family family	f.35.1.1 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	d2dhha2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhha3
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhha4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.225 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
超家族 Superfamily superfamily	d.225.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
家族 Family family	d.225.1.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

结构域编号 domain_id	d2dhha5
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.35 — Multidrug efflux transporter AcrB transmembrane domain
超家族 Superfamily superfamily	f.35.1 — Multidrug efflux transporter AcrB transmembrane domain
家族 Family family	f.35.1.1 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	d2dhha6
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhha7
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhha8
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.225 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
超家族 Superfamily superfamily	d.225.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
家族 Family family	d.225.1.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

结构域编号 domain_id	d2dhhb1
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.35 — Multidrug efflux transporter AcrB transmembrane domain
超家族 Superfamily superfamily	f.35.1 — Multidrug efflux transporter AcrB transmembrane domain
家族 Family family	f.35.1.1 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	d2dhhb2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhhb3
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhhb4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.225 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
超家族 Superfamily superfamily	d.225.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
家族 Family family	d.225.1.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

结构域编号 domain_id	d2dhhb5
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.35 — Multidrug efflux transporter AcrB transmembrane domain
超家族 Superfamily superfamily	f.35.1 — Multidrug efflux transporter AcrB transmembrane domain
家族 Family family	f.35.1.1 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	d2dhhb6
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhhb7
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhhb8
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.225 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
超家族 Superfamily superfamily	d.225.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
家族 Family family	d.225.1.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

结构域编号 domain_id	d2dhhc1
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.35 — Multidrug efflux transporter AcrB transmembrane domain
超家族 Superfamily superfamily	f.35.1 — Multidrug efflux transporter AcrB transmembrane domain
家族 Family family	f.35.1.1 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	d2dhhc2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhhc3
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhhc4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.225 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
超家族 Superfamily superfamily	d.225.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
家族 Family family	d.225.1.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

结构域编号 domain_id	d2dhhc5
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.35 — Multidrug efflux transporter AcrB transmembrane domain
超家族 Superfamily superfamily	f.35.1 — Multidrug efflux transporter AcrB transmembrane domain
家族 Family family	f.35.1.1 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	d2dhhc6
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhhc7
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.44 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains
家族 Family family	d.58.44.1 — Multidrug efflux transporter AcrB pore domain; PN1, PN2, PC1 and PC2 subdomains

结构域编号 domain_id	d2dhhc8
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.225 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
超家族 Superfamily superfamily	d.225.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
家族 Family family	d.225.1.1 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

CATH v4.4 (24 domains)

结构域编号 domain_id	2dhhA01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1640 — Multidrug efflux transporter AcrB transmembrane fold
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	2dhhA02
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	1430 — Multidrug efflux transporter AcrB pore domain

结构域编号 domain_id	2dhhA03
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	1320 — Multidrug efflux transporter AcrB pore domain like

结构域编号 domain_id	2dhhA04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	2090 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

结构域编号 domain_id	2dhhA05
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1640 — Multidrug efflux transporter AcrB transmembrane fold
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	2dhhA06
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	1430 — Multidrug efflux transporter AcrB pore domain

结构域编号 domain_id	2dhhA07
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	1440 — Multidrug efflux transporter AcrB pore domain

结构域编号 domain_id	2dhhA08
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	2090 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

结构域编号 domain_id	2dhhB01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1640 — Multidrug efflux transporter AcrB transmembrane fold
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	2dhhB02
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	1430 — Multidrug efflux transporter AcrB pore domain

结构域编号 domain_id	2dhhB03
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	1320 — Multidrug efflux transporter AcrB pore domain like

结构域编号 domain_id	2dhhB04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	2090 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

结构域编号 domain_id	2dhhB05
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1640 — Multidrug efflux transporter AcrB transmembrane fold
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	2dhhB06
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	1430 — Multidrug efflux transporter AcrB pore domain

结构域编号 domain_id	2dhhB07
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	1440 — Multidrug efflux transporter AcrB pore domain

结构域编号 domain_id	2dhhB08
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	2090 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

结构域编号 domain_id	2dhhC01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1640 — Multidrug efflux transporter AcrB transmembrane fold
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	2dhhC02
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	1430 — Multidrug efflux transporter AcrB pore domain

结构域编号 domain_id	2dhhC03
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	1320 — Multidrug efflux transporter AcrB pore domain like

结构域编号 domain_id	2dhhC04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	2090 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

结构域编号 domain_id	2dhhC05
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1640 — Multidrug efflux transporter AcrB transmembrane fold
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB transmembrane domain

结构域编号 domain_id	2dhhC06
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	1430 — Multidrug efflux transporter AcrB pore domain

结构域编号 domain_id	2dhhC07
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	1440 — Multidrug efflux transporter AcrB pore domain

结构域编号 domain_id	2dhhC08
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	2090 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains
同源超家族 H-superfamily homologous superfamily	10 — Multidrug efflux transporter AcrB TolC docking domain; DN and DC subdomains

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7. 引用文献 (1)

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晶胞边长 a length_a	225.870 Å
晶胞边长 b length_b	134.418 Å
晶胞边长 c length_c	163.192 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	97.71 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	12

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	2.800 Å
最低分辨率 resolution_low	10.000 Å
R 因子 r_factor	0.2700
R_work r_work	0.2680
R_free r_free	0.3070

Crystal structure of a multidrug transporter reveal a functionally rotating mechanism

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