2nvb

Contribution of Pro275 to the Thermostability of the Alcohol Dehydrogenases (ADHs)

Method: X-RAY DIFFRACTION D_max: 95.7 Å Quality: EXCELLENT

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

NADP-dependent alcohol dehydrogenase

Thermoanaerobacter brockii

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白同源多聚体同源多聚体蛋白 × 4 PDB 声明：tetrameric（4）与蛋白拷贝数一致	链 A； UniProt 1–352 链 B； UniProt 1–352 链 C； UniProt 1–352 链 D； UniProt 1–352	突变：P275D	ZN ZINC ION × 4 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 4	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 8.3；298 K；16%(w/v) PEG 4000, 50mM NaCl, 50mM Tris-HCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.3	分辨率 2.80 Å R-free 0.278
2	蛋白同源多聚体同源多聚体蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 A； UniProt 1–352 链 B； UniProt 1–352	突变：P275D	ZN ZINC ION × 2 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 8.3；298 K；16%(w/v) PEG 4000, 50mM NaCl, 50mM Tris-HCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.3	分辨率 2.80 Å R-free 0.278
3	蛋白同源多聚体同源多聚体蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 C； UniProt 1–352 链 D； UniProt 1–352	突变：P275D	ZN ZINC ION × 2 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 8.3；298 K；16%(w/v) PEG 4000, 50mM NaCl, 50mM Tris-HCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.3	分辨率 2.80 Å R-free 0.278

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 2NVB	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
1BXZ CRYSTAL STRUCTURE OF A THERMOPHILIC ALCOHOL DEHYDROGENASE SUBSTRATE COMPLEX FROM THERMOANAEROBACTER BROCKII 提交 1998-10-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–352（352 aa）片段：NUCLEOTIDE-BINDING DOMAIN, CATALYTIC DOMAIN 链 B 1–352（352 aa）片段：NUCLEOTIDE-BINDING DOMAIN, CATALYTIC DOMAIN 链 C 1–352（352 aa）片段：NUCLEOTIDE-BINDING DOMAIN, CATALYTIC DOMAIN 链 D 1–352（352 aa）片段：NUCLEOTIDE-BINDING DOMAIN, CATALYTIC DOMAIN	未记录	ZN ZINC ION × 4 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 4 SBT 2-BUTANOL × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；pH 5.8	分辨率 2.99 Å R-free 0.264
1YKF NADP-DEPENDENT ALCOHOL DEHYDROGENASE FROM THERMOANAEROBIUM BROCKII 提交 1996-03-25	突变/修饰不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–352（352 aa）链 B 1–352（352 aa）链 C 1–352（352 aa）链 D 1–352（352 aa）	未记录	ZN ZINC ION × 4 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 8.2；pH 8.2	分辨率 2.50 Å R-free 0.267
3FPC Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-294 of T. brockii ADH by E. histolytica ADH 提交 2009-01-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 信息不足同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–152（152 aa）链 A 295–352（58 aa）链 B 1–152（152 aa）链 B 295–352（58 aa）链 C 1–152（152 aa）链 C 295–352（58 aa）链 D 1–152（152 aa）链 D 295–352（58 aa）	未记录	ZN ZINC ION × 4 CAC CACODYLATE ION × 4 OXY OXYGEN MOLECULE × 1 EDO 1,2-ETHANEDIOL × 14 NO3 NITRATE ION × 2 IMD IMIDAZOLE × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；8mg/mL protein [25mM Tris-HCl, 50mM NaCl, 0.1mM DTT, 50mM ZnCl2 (pH=7.5)] was mixed with 0.001 ml of reservoir solution [16% (w/v) PEG 8000, 200mM magnesium acetate tetrahydrate, 100mM Cacodylate buffer (pH 6.5)], vapor diffusion, hanging drop, temperature 298K	分辨率 1.40 Å R-free 0.155
3FPL Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of C. beijerinckii ADH by T. brockii ADH 提交 2009-01-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 信息不足同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 153–295（143 aa）	未记录	ZN ZINC ION × 4 CL CHLORIDE ION × 8 EDO 1,2-ETHANEDIOL × 4 CAC CACODYLATE ION × 4 PGE TRIETHYLENE GLYCOL × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 5.6；298 K；Single crystals of apo-22(CTC) were obtained by the microbatch method under oil at 18 C, using the IMPAX 1-5 robot. The apo-22(CTC) (10mg/mL) was crystallized in a mixture containing 100mM ammonium acetate, 15% (w/v) PEG 4000, 25mM NaCl, 50mM DTT, 25mM ZnCl2 and 50mM tri-citrate dihydrate (pH sodium 5.6), Microbatch, temperature 298K	分辨率 1.90 Å R-free 0.172
3FSR Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH 提交 2009-01-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 信息不足同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–152（152 aa）链 A 296–352（57 aa）链 B 1–152（152 aa）链 B 296–352（57 aa）链 C 1–152（152 aa）链 C 296–352（57 aa）链 D 1–152（152 aa）链 D 296–352（57 aa）	未记录	ZN ZINC ION × 6 EDO 1,2-ETHANEDIOL × 5 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；8mg/mL protein [25mM Tris-HCl, 50mM NaCl, 0.1mM DTT, 50mM ZnCl2 (pH=7.5)] was mixed with 0.001ml of reservoir solution [16% (w/v) PEG 8000, 200mM magnesium acetate tetrahydrate, 100mM Cacodylate buffer (pH 6.5)], vapor diffusion, hanging drop, temperature 298K	分辨率 2.20 Å R-free 0.220
3FTN Q165E/S254K Double Mutant Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH 提交 2009-01-13	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 信息不足同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–152（152 aa）链 A 296–352（57 aa）链 B 1–152（152 aa）链 B 296–352（57 aa）链 C 1–152（152 aa）链 C 296–352（57 aa）链 D 1–152（152 aa）链 D 296–352（57 aa）	突变：Q165E, S254K 突变：Q165E, S254K 突变：Q165E, S254K 突变：Q165E, S254K 突变：Q165E, S254K 突变：Q165E, S254K 突变：Q165E, S254K 突变：Q165E, S254K	ZN ZINC ION × 4 ACT ACETATE ION × 4 EDO 1,2-ETHANEDIOL × 11 CL CHLORIDE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；8 mg/mL protein, 25 mM Tris-HCl, 50 mM NaCl, 0.1 mM DTT, 50 mM ZnCl2 (pH=7.5)] was mixed with 1 microliter of reservoir solution [16% (w/v) PEG8K, 200 mM magnesium acetate tetrahydrate, 100 mM Cacodylate buffer (pH 6.5), vapor diffusion, hanging drop, temperature 298K	分辨率 2.19 Å R-free 0.228
6SDM NADH-dependent variant of TBADH 提交 2019-07-28	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–352（352 aa）链 B 1–352（352 aa）链 C 1–352（352 aa）链 D 1–352（352 aa）	未记录	ZN ZINC ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；20% w/v PEG 3K, sodium citrate pH 5.5	分辨率 2.85 Å R-free 0.238
7F3P Crystal structure of a nadp-dependent alcohol dehydrogenase mutant in apo form 提交 2021-06-16	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–352（352 aa）链 B 1–352（352 aa）链 C 1–352（352 aa）链 D 1–352（352 aa）	突变：P84S, I86L 突变：P84S, I86L 突变：P84S, I86L 突变：P84S, I86L	ZN ZINC ION × 4 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；295 K；PEG3350, NH4, citrate	分辨率 2.60 Å R-free 0.237
7UTC Crystal structure of secondary alcohol dehydrogenases from the Thermoanaerobacter ethanolicus with NADP and transition-state analogue inhibitor DMSO 提交 2022-04-26	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–352（352 aa）链 B 1–352（352 aa）链 C 1–352（352 aa）链 D 1–352（352 aa）	突变：C295A 突变：C295A 突变：C295A 突变：C295A	ZN ZINC ION × 4 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 4 DMS DIMETHYL SULFOXIDE × 35	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；295 K；0.6 M KCl, 12% PEG 3350, 50 mM HEPES-K buffer, pH 7.5	分辨率 1.85 Å R-free 0.227
7UUT Ternary complex crystal structure of secondary alcohol dehydrogenases from the Thermoanaerobacter ethanolicus mutants C295A and I86A provides better understanding of catalytic mechanism 提交 2022-04-28	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–352（352 aa）链 B 1–352（352 aa）链 C 1–352（352 aa）链 D 1–352（352 aa）	突变：I86A 突变：I86A 非标准单体：是（mmCIF未提供具体位点）突变：I86A 非标准单体：是（mmCIF未提供具体位点）突变：I86A 非标准单体：是（mmCIF未提供具体位点）	ZN ZINC ION × 4 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 4 2RP (2R)-pentan-2-ol × 4 K POTASSIUM ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.6 M KCl, 12% PEG 3350, 50 mM HEPES buffer pH 7.5	分辨率 1.89 Å R-free 0.231
7UX4 Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network. 提交 2022-05-04	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–352（352 aa）链 B 1–352（352 aa）链 C 1–352（352 aa）链 D 1–352（352 aa）	突变：I86A 突变：I86A 非标准单体：是（mmCIF未提供具体位点）突变：I86A 非标准单体：是（mmCIF未提供具体位点）突变：I86A 非标准单体：是（mmCIF未提供具体位点）	ZN ZINC ION × 4 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 4 K POTASSIUM ION × 8 NWO (1S,3S)-3-methylcyclohexan-1-ol × 3 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；295 K；0.6 M KCl,12% PEG 3350, 50 mM HEPES-K buffer, pH 7.5	分辨率 2.23 Å R-free 0.204
7XL5 Crystal structure of the H42T/A85G/I86A mutant of a nadp-dependent alcohol dehydrogenase 提交 2022-04-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 2–352（351 aa）链 B 2–352（351 aa）链 C 2–352（351 aa）链 D 2–352（351 aa）	突变：H42T, A85G, I86A 突变：H42T, A85G, I86A 突变：H42T, A85G, I86A 突变：H42T, A85G, I86A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Magnesium acetate tetrahydrate, 15% (w/v) PEG 3350	分辨率 2.60 Å R-free 0.225
7XY9 Cryo-EM structure of secondary alcohol dehydrogenases TbSADH after carrier-free immobilization based on weak intermolecular interactions 提交 2022-06-01	构建体不同突变/修饰不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 2–352（351 aa）链 B 2–352（351 aa）链 C 2–352（351 aa）链 D 2–352（351 aa）	突变：I86N 突变：I86N 突变：I86N 突变：I86N	ZN ZINC ION × 4 MG MAGNESIUM ION × 8	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 2.12 Å

共 13 个其他 PDB 条目、13 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	ADH_THEBR
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–352； UniProt 1–352 作者链 B； PDB构建体 1–352； UniProt 1–352 作者链 C； PDB构建体 1–352； UniProt 1–352 作者链 D； PDB构建体 1–352； UniProt 1–352

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

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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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	2nvb
沉积日期 deposition_date	2006-11-12
结构标题 title	Contribution of Pro275 to the Thermostability of the Alcohol Dehydrogenases (ADHs)
关键词 keywords	Rossmann fold, Structural Genomics, Israel Structural Proteomics Center, ISPC, OXIDOREDUCTASE; OXIDOREDUCTASE
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	32.65 Å
回转半径 Rg (电子) rg_electron	32.04 Å
零角强度 I(0) i0	359110000.00
分子量 molecular_weight	153880.0 kDa
排除体积 excluded_volume	193120 Å³
包络体积 envelope_volume	226320 Å³
水化壳体积 shell_volume	56030 Å³
包络直径 envelope_diameter	99.3 Å
壳层 Rg shell_rg	41.11 Å
包络 Rg envelope_rg	31.95 Å
形状 Rg shape_rg	32.06 Å
总 Rg total_rg	32.64 Å
总原子数 total_atoms	10772
残基数 n_residues	1408
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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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	95.7 Å
Rg (实空间) rg_real	32.37 Å
Rg 误差 (实空间) rg_real_error	0.42 Å
I(0) (实空间) i0_real	3.5910e+08
I(0) 误差 (实空间) i0_real_error	4.6140e+06
Rg (倒空间) rg_reciprocal	32.49 Å
I(0) (倒空间) i0_reciprocal	359100000.0000
解质量估计 total_estimate	0.9012
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	43.0 Å
偏度 Skewness skewness	0.055
峰度 Kurtosis kurtosis	-0.564
角度范围 angular_range	— – 0.2450 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	204600000.0000
实空间数据点数 n_real_points	50
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.961; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.857

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (3)

实体 1 Entity 1 polymer

描述 description	NADP-dependent alcohol dehydrogenase
分子量 formula_weight	37712.8 kDa
EC 编号 ec_number	1.1.1.2
突变 mutation	P275D
来源方法 src_method	man
拷贝数 entity_count	4

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	10772

MKGFAMLSIGKVGWIEKEKPAPGPFDAIVRPLAVAPCTSDIHTVFEGAIGERHNMILGHEAVGEVVEVGSEVKDFKPGDRVVVPAITPDWRTSEVQRGYHQHSGGMLAGWKFSNVKDGVFGEFFHVNDADMNLAHLPKEIPLEAAVMIPDMMTTGFHGAELADIELGATVAVLGIGPVGLMAVAGAKLRGAGRIIAVGSRPVCVDAAKYYGATDIVNYKDGPIESQIMNLTEGKGVDAAIIAGGNADIMATAVKIVKPGGTIANVNYFGEGEVLDVPRLEWGCGMAHKTIKGGLCPGGRLRMERLIDLVFYKRVDPSKLVTHVFRGFDNIEKAFMLMKDKPKDLIKPVVILA

来源 Source

来源生物 organism	Thermoanaerobacter brockii
NCBI 分类编号 ncbi_taxonomy_id	29323
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	ZINC ION
分子量 formula_weight	65.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 3 Entity 3 non-polymer

描述 description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
分子量 formula_weight	743.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

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7. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d2nvba1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.35 — GroES-like
超家族 Superfamily superfamily	b.35.1 — GroES-like
家族 Family family	b.35.1.2 — Alcohol dehydrogenase-like, N-terminal domain

结构域编号 domain_id	d2nvba2
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.2.1.1 — Alcohol dehydrogenase-like, C-terminal domain

结构域编号 domain_id	d2nvbb1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.35 — GroES-like
超家族 Superfamily superfamily	b.35.1 — GroES-like
家族 Family family	b.35.1.2 — Alcohol dehydrogenase-like, N-terminal domain

结构域编号 domain_id	d2nvbb2
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.2.1.1 — Alcohol dehydrogenase-like, C-terminal domain

结构域编号 domain_id	d2nvbc1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.35 — GroES-like
超家族 Superfamily superfamily	b.35.1 — GroES-like
家族 Family family	b.35.1.2 — Alcohol dehydrogenase-like, N-terminal domain

结构域编号 domain_id	d2nvbc2
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.2.1.1 — Alcohol dehydrogenase-like, C-terminal domain

结构域编号 domain_id	d2nvbd1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.35 — GroES-like
超家族 Superfamily superfamily	b.35.1 — GroES-like
家族 Family family	b.35.1.2 — Alcohol dehydrogenase-like, N-terminal domain

结构域编号 domain_id	d2nvbd2
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.2.1.1 — Alcohol dehydrogenase-like, C-terminal domain

CATH v4.4 (8 domains)

结构域编号 domain_id	2nvbA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	180 — Quinone Oxidoreductase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Medium-chain alcohol dehydrogenases, catalytic domain

结构域编号 domain_id	2nvbA02
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	2nvbB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	180 — Quinone Oxidoreductase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Medium-chain alcohol dehydrogenases, catalytic domain

结构域编号 domain_id	2nvbB02
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	2nvbC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	180 — Quinone Oxidoreductase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Medium-chain alcohol dehydrogenases, catalytic domain

结构域编号 domain_id	2nvbC02
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	2nvbD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	180 — Quinone Oxidoreductase; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Medium-chain alcohol dehydrogenases, catalytic domain

结构域编号 domain_id	2nvbD02
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

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8. 引用文献 (1)

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晶胞边长 a length_a	79.598 Å
晶胞边长 b length_b	125.008 Å
晶胞边长 c length_c	167.111 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	16

空间群 space_group	P 21 21 21
空间群编号 int_tables_number	19
晶系 crystal_system	—

分辨率 resolution	2.800 Å
最低分辨率 resolution_low	39.600 Å
R 因子 r_factor	—
R_work r_work	0.2170
R_free r_free	0.2780

fit	/app/data/saxs_computation/nv/2nvb/2nvb.fit
pddf	/app/data/pr_computation/nv/2nvb/2nvb.pr.out
profile	/app/data/saxs_computation/nv/2nvb/2nvb.dat