4foi

Crystal Structure of recombinant human Hexokinase type I mutant D413N with Glucose 1,6-bisphosphate

Method: X-RAY DIFFRACTION D_max: 134.5 Å Quality: GOOD

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

Hexokinase-1

Homo sapiens

UniProt P19367

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 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 A； UniProt 1–917 链 B； UniProt 1–917	突变：D413N	BGC beta-D-glucopyranose × 4 G16 1,6-di-O-phosphono-alpha-D-glucopyranose × 4 NA SODIUM ION × 4 CIT CITRIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件：hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 2.40 Å R-free 0.273
2	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 1–917	突变：D413N	BGC beta-D-glucopyranose × 2 G16 1,6-di-O-phosphono-alpha-D-glucopyranose × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件：hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 2.40 Å R-free 0.273
3	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 B； UniProt 1–917	突变：D413N	BGC beta-D-glucopyranose × 2 G16 1,6-di-O-phosphono-alpha-D-glucopyranose × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件：hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 2.40 Å R-free 0.273

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 4FOI	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
1CZA MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP 提交 1999-09-01	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 N 1–917（917 aa）	突变：E280A, R283A, G284Y	GLC alpha-D-glucopyranose × 2 G6P 6-O-phosphono-alpha-D-glucopyranose × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 6.5；298 K；PEG 8000, SODIUM ACETATE, MES, ADP, ALUMINUM NITRATE, SODIUM FLUORIDE, MAGNESIUM ACETATE, GLUCOSE, pH 6.5, EVAPORATION, temperature 298.0K	分辨率 1.90 Å R-free 0.258
1DGK MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I WITH GLUCOSE AND ADP IN THE ACTIVE SITE 提交 1999-11-24	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 N 1–917（917 aa）	突变：E280A, R283A, G284Y, T536A	GLC alpha-D-glucopyranose × 2 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG 8000, SODIUM ACETATE, MES, ADP, GLUCOSE, GLUCOSE-6-PHOSPHATE. GROWN CRYSTALS WERE SOAKED WITH THE SAME BUFFER, BUT W/O GLUCOSE-6-PHOSPHATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.80 Å R-free 0.308
1HKB CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE 提交 1997-12-01	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–917（917 aa）	未记录	BGC beta-D-glucopyranose × 2 G6P 6-O-phosphono-alpha-D-glucopyranose × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.6；HEXOKINASE WAS CRYSTALLIZED BY MIXING 20 MG/ML OF PROTEIN SOLUTION WITH 6% PEG 8000, 0.1 M NA CITRATE, PH 5.6, 0.1 M NA ACETATE, 20 MM GLUCOSE-6-PHOSPHATE, AND PRESUMABLE TRACE AMOUNT OF GLUCOSE LEFT AFTER PURIFICATION; THEN SOAKED WITH 10 MM G6P AND 5 MM GLUCOSE.	分辨率 2.80 Å R-free 0.270
1HKB CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE 提交 1997-12-01	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 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–917（917 aa）	未记录	BGC beta-D-glucopyranose × 2 G6P 6-O-phosphono-alpha-D-glucopyranose × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.6；HEXOKINASE WAS CRYSTALLIZED BY MIXING 20 MG/ML OF PROTEIN SOLUTION WITH 6% PEG 8000, 0.1 M NA CITRATE, PH 5.6, 0.1 M NA ACETATE, 20 MM GLUCOSE-6-PHOSPHATE, AND PRESUMABLE TRACE AMOUNT OF GLUCOSE LEFT AFTER PURIFICATION; THEN SOAKED WITH 10 MM G6P AND 5 MM GLUCOSE.	分辨率 2.80 Å R-free 0.270
1HKC RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND PHOSPHATE 提交 1998-07-01	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 × 2 PDB 声明：dimeric	链 A 1–917（917 aa）	未记录	BGC beta-D-glucopyranose × 2 PO4 PHOSPHATE ION × 4 K POTASSIUM ION × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；HEXOKINASE WAS CRYSTALLIZED BY HANGING DROP METHOD AT ROOM TEMPERATURE BY MIXING 20 MG/ ML OF PROTEIN IN 25 MM POTASSIUM PHOSPHATE WITH A PRECIPITANT SOLUTION CONTAINING 5% PEG 8000 AND 0.1 M NA CACODYLATE, PH 6.5. PROTEIN SAMPLES CONTAINED A TRACE AMOUNT OF GLUCOSE LEFT AFTER PURIFICATION.	分辨率 2.80 Å R-free 0.241
1QHA HUMAN HEXOKINASE TYPE I COMPLEXED WITH ATP ANALOGUE AMP-PNP 提交 1999-05-11	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 × 2 PDB 声明：dimeric	链 A 1–917（917 aa）链 B 1–917（917 aa）	未记录	GLC alpha-D-glucopyranose × 4 G6P 6-O-phosphono-alpha-D-glucopyranose × 4 MG MAGNESIUM ION × 6 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；pH 6.5	分辨率 2.25 Å R-free 0.279
4F9O Crystal Structure of recombinant human Hexokinase type I with 2-deoxy-Glucose 6-Phosphate 提交 2012-05-19	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–914（914 aa）	未记录	BGC beta-D-glucopyranose × 2 0NZ 2-deoxy-6-O-phosphono-beta-D-glucopyranose × 2 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 2.65 Å R-free 0.258
4F9O Crystal Structure of recombinant human Hexokinase type I with 2-deoxy-Glucose 6-Phosphate 提交 2012-05-19	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–914（914 aa）	未记录	BGC beta-D-glucopyranose × 2 0NZ 2-deoxy-6-O-phosphono-beta-D-glucopyranose × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 2.65 Å R-free 0.258
4FOE Crystal Structure of recombinant human Hexokinase type I with Mannose 6-Phosphate 提交 2012-06-20	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–917（917 aa）链 B 1–917（917 aa）	未记录	BGC beta-D-glucopyranose × 4 M6D 6-O-phosphono-beta-D-mannopyranose × 4 NA SODIUM ION × 4 CIT CITRIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 2.70 Å R-free 0.254
4FPA Crystal Structure of recombinant human Hexokinase type I mutant D413N Glucose 6-Phosphate 提交 2012-06-21	配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–917（917 aa）链 B 1–917（917 aa）	突变：D413N 突变：D413N	BGC beta-D-glucopyranose × 4 BG6 6-O-phosphono-beta-D-glucopyranose × 4 NA SODIUM ION × 4 CIT CITRIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 2.48 Å R-free 0.256
4FPA Crystal Structure of recombinant human Hexokinase type I mutant D413N Glucose 6-Phosphate 提交 2012-06-21	配体/离子不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–917（917 aa）	突变：D413N	BGC beta-D-glucopyranose × 2 BG6 6-O-phosphono-beta-D-glucopyranose × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 2.48 Å R-free 0.256
4FPA Crystal Structure of recombinant human Hexokinase type I mutant D413N Glucose 6-Phosphate 提交 2012-06-21	配体/离子不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–917（917 aa）	突变：D413N	BGC beta-D-glucopyranose × 2 BG6 6-O-phosphono-beta-D-glucopyranose × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 2.48 Å R-free 0.256
4FPB Crystal Structure of Recombinant Human Hexokinase Type I with 1,5-Anhydroglucitol 6-Phosphate 提交 2012-06-21	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–917（917 aa）链 B 1–917（917 aa）	未记录	BGC beta-D-glucopyranose × 4 0WK 1,5-anhydro-6-O-phosphono-D-glucitol × 4 NA SODIUM ION × 4 CIT CITRIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 3.00 Å R-free 0.256
4FPB Crystal Structure of Recombinant Human Hexokinase Type I with 1,5-Anhydroglucitol 6-Phosphate 提交 2012-06-21	突变/修饰不同配体/离子不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–917（917 aa）	未记录	BGC beta-D-glucopyranose × 2 0WK 1,5-anhydro-6-O-phosphono-D-glucitol × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 3.00 Å R-free 0.256
4FPB Crystal Structure of Recombinant Human Hexokinase Type I with 1,5-Anhydroglucitol 6-Phosphate 提交 2012-06-21	突变/修饰不同配体/离子不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–917（917 aa）	未记录	BGC beta-D-glucopyranose × 2 0WK 1,5-anhydro-6-O-phosphono-D-glucitol × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 hanging drop；pH 6；277 K；PEG 4000, PEG 8000, sodium acetate, sodium citrate, pH 6.0, hanging drop, temperature 277K	分辨率 3.00 Å R-free 0.256

共 9 个其他 PDB 条目、15 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	HXK1_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–917； UniProt 1–917 作者链 B； PDB构建体 1–917； UniProt 1–917

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	4foi
沉积日期 deposition_date	2012-06-20
结构标题 title	Crystal Structure of recombinant human Hexokinase type I mutant D413N with Glucose 1,6-bisphosphate
关键词 keywords	HEXOKINASE, GLUCOSE 1, 6-BISPHOSPHATE, TRANSFERASE; TRANSFERASE
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	42.14 Å
回转半径 Rg (电子) rg_electron	41.62 Å
零角强度 I(0) i0	636506000.00
分子量 molecular_weight	203470.0 kDa
排除体积 excluded_volume	253330 Å³
包络体积 envelope_volume	332790 Å³
水化壳体积 shell_volume	65697 Å³
包络直径 envelope_diameter	139.0 Å
壳层 Rg shell_rg	48.11 Å
包络 Rg envelope_rg	40.71 Å
形状 Rg shape_rg	41.63 Å
总 Rg total_rg	41.89 Å
总原子数 total_atoms	14222
残基数 n_residues	1798
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	134.5 Å
Rg (实空间) rg_real	42.07 Å
Rg 误差 (实空间) rg_real_error	1.04 Å
I(0) (实空间) i0_real	6.3650e+08
I(0) 误差 (实空间) i0_real_error	1.0570e+07
Rg (倒空间) rg_reciprocal	42.14 Å
I(0) (倒空间) i0_reciprocal	636600000.0000
解质量估计 total_estimate	0.8824
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	50.9 Å
偏度 Skewness skewness	0.242
峰度 Kurtosis kurtosis	-0.462
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	60390000.0000
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: 0.941; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.644

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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 (6)

实体 1 Entity 1 polymer

描述 description	Hexokinase-1
分子量 formula_weight	102624.1 kDa
EC 编号 ec_number	2.7.1.1
突变 mutation	D413N
来源方法 src_method	man
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	14495

MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDETLIDIMTRFRKEMKNGLSRDFNPTATVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVHMESEVYDTPENIVHGSGSQLFDHVAECLGDFMEKRKIKDKKLPVGFTFSFPCQQSKIDEAILITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQHCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDREIDRGSLNPGKQLFEKMVSGMYLGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKNKEGLHNAKEILTRLGVEPSDDDCVSVQHVCTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVNGSLYKTHPQYSRRFHKTLRRLVPDSDVRFLLSESGSGKGAAMVTAVAYRLAEQHRQIEETLAHFHLTKDMLLEVKKRMRAEMELGLRKQTHNNAVVKMLPSFVRRTPDGTENGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYAIPIEIMQGTGEELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCQQTSLDAGILITWTKGFKATDCVGHDVVTLLRDAIKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEVGLIVGTGSNACYMEEMKNVEMVEGDQGQMCINMEWGAFGDNGCLDDIRTHYDRLVDEYSLNAGKQRYEKMISGMYLGEIVRNILIDFTKKGFLFRGQISETLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSRRAAQLCGAGMAAVVDKIRENRGLDRLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCNVSFLLSEDGSGKGAALITAVGVRLRTEASS

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	beta-D-glucopyranose
分子量 formula_weight	180.2 kDa
来源方法 src_method	man
拷贝数 entity_count	4

实体 3 Entity 3 non-polymer

描述 description	1,6-di-O-phosphono-alpha-D-glucopyranose
分子量 formula_weight	339.1 kDa
来源方法 src_method	man
拷贝数 entity_count	4

实体 4 Entity 4 non-polymer

描述 description	SODIUM ION
分子量 formula_weight	23.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 5 Entity 5 non-polymer

描述 description	CITRIC ACID
分子量 formula_weight	192.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 6 Entity 6 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	273

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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	d4foia1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.3 — Hexokinase

结构域编号 domain_id	d4foia2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.3 — Hexokinase

结构域编号 domain_id	d4foia3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.3 — Hexokinase

结构域编号 domain_id	d4foia4
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.3 — Hexokinase

结构域编号 domain_id	d4foib1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.3 — Hexokinase

结构域编号 domain_id	d4foib2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.3 — Hexokinase

结构域编号 domain_id	d4foib3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.3 — Hexokinase

结构域编号 domain_id	d4foib4
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.3 — Hexokinase

CATH v4.4 (8 domains)

结构域编号 domain_id	4foiA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	367 — Hexokinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 —

结构域编号 domain_id	4foiA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

结构域编号 domain_id	4foiA03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	367 — Hexokinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 —

结构域编号 domain_id	4foiA04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

结构域编号 domain_id	4foiB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	367 — Hexokinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 —

结构域编号 domain_id	4foiB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

结构域编号 domain_id	4foiB03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	367 — Hexokinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 —

结构域编号 domain_id	4foiB04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

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8. 引用文献 (1)

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晶胞边长 a length_a	82.380 Å
晶胞边长 b length_b	120.772 Å
晶胞边长 c length_c	120.591 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	92.80 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	4

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	2.400 Å
最低分辨率 resolution_low	35.410 Å
R 因子 r_factor	0.2484
R_work r_work	0.2472
R_free r_free	0.2729

fit	/app/data/saxs_computation/fo/4foi/4foi.fit
pddf	/app/data/pr_computation/fo/4foi/4foi.pr.out
profile	/app/data/saxs_computation/fo/4foi/4foi.dat