3sdj

Structure of RNase-inactive point mutant of oligomeric kinase/RNase Ire1

Method: X-RAY DIFFRACTION

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

Serine/threonine-protein kinase/endoribonuclease IRE1

Saccharomyces cerevisiae

当前结构中的状态

Assembly	物理组成	蛋白状态	分子拷贝数	共同组分	数据核对
1	蛋白同源多聚体	同源多聚体	蛋白 14	N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine × 14	与蛋白数一致
2	蛋白同源多聚体	同源多聚体	蛋白 2	N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine × 2	与蛋白数一致
3	蛋白同源多聚体	同源多聚体	蛋白 2	N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine × 2	与蛋白数一致
4	蛋白同源多聚体	同源多聚体	蛋白 2	N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine × 2	与蛋白数一致
5	蛋白同源多聚体	同源多聚体	蛋白 2	N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine × 2	与蛋白数一致
6	蛋白同源多聚体	同源多聚体	蛋白 2	N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine × 2	与蛋白数一致
7	蛋白同源多聚体	同源多聚体	蛋白 2	N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine × 2	与蛋白数一致
8	蛋白同源多聚体	同源多聚体	蛋白 2	N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine × 2	与蛋白数一致

数据库中的同蛋白其他状态

查看构建体与数据证据

UniProt名称	IRE1_YEAST
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 2–448； UniProt 641–1115 作者链 B； PDB构建体 2–448； UniProt 641–1115 作者链 C； PDB构建体 2–448； UniProt 641–1115 作者链 D； PDB构建体 2–448； UniProt 641–1115 作者链 E； PDB构建体 2–448； UniProt 641–1115 作者链 F； PDB构建体 2–448； UniProt 641–1115 作者链 G； PDB构建体 2–448； UniProt 641–1115 作者链 H； PDB构建体 2–448； UniProt 641–1115 作者链 I； PDB构建体 2–448； UniProt 641–1115 作者链 J； PDB构建体 2–448； UniProt 641–1115 作者链 K； PDB构建体 2–448； UniProt 641–1115 作者链 L； PDB构建体 2–448； UniProt 641–1115 作者链 M； PDB构建体 2–448； UniProt 641–1115 作者链 N； PDB构建体 2–448； UniProt 641–1115

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。

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	3sdj
沉积日期 deposition_date	2011-06-09
结构标题 title	Structure of RNase-inactive point mutant of oligomeric kinase/RNase Ire1
关键词 keywords	kinase, RNase, ribonuclease, Hac1, XBP1, splicing, RNA, UPR, unfolded protein response, oligomer, TRANSFERASE, HYDROLASE; TRANSFERASE, HYDROLASE
实验方法 method	X-RAY DIFFRACTION

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3. Official assembly/model 理论 SAXS Official SAXS Profiles

页面只读取最新 assembly 计算结果。每一条曲线都对应明确的 PDB、official biological assembly 和 coordinate model。

3sdj__assembly_4__model_1

Assembly 4 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

下载该曲线 .dat

3sdj__assembly_4__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

3sdj__assembly_4__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	31.13 Å
Rg（电子密度）	30.02 Å
总 Rg	30.81 Å
原子数	6844
残基数	830
排除体积	122360 Å³
最大 q	0.500 Å⁻¹

Assembly	Model	结构单元	聚集说明	状态	CRYSOL	操作
1	1	`3sdj__assembly_1__model_1`	tetradecameric （14）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
2	1	`3sdj__assembly_2__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
3	1	`3sdj__assembly_3__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
4	1	`3sdj__assembly_4__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
5	1	`3sdj__assembly_5__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
6	1	`3sdj__assembly_6__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
7	1	`3sdj__assembly_7__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
8	1	`3sdj__assembly_8__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载

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4. 晶体学与实验 4. Crystallography & Experiment

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5. 实体与聚合物信息 Entities & Polymers (2)

实体 1 Entity 1 polymer

描述 description	Serine/threonine-protein kinase/endoribonuclease IRE1
分子量 formula_weight	51859.3 kDa
EC 编号 ec_number	2.7.11.1, 3.1.26.-
突变 mutation	H1061N
来源方法 src_method	man
拷贝数 entity_count	14

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H,I,J,K,L,M,N
原子数 atom_count	47990

PEKKKRKRGSRGGKKGRKSRIANIPNFEQSLKNLVVSEKILGYGSSGTVVFQGSFQGRPVAVKRMLIDFCDIALMEIKLLTESDDHPNVIRYYCSETTDRFLYIALELCNLNLQDLVESKNVSDENLKLQKEYNPISLLRQIASGVAHLHSLKIIHRDLKPQNILVSTSSRFTADQQTGAENLRILISDFGLCKKLDSGQSSFRTNLNNPSGTSGWRAPELLEESTKRRLTRSIDIFSMGCVFYYILSKGKHPFGDKYSRESNIIRGIFSLDEMKCLHDRSLIAEATDLISQMIDHDPLKRPTAMKVLRHPLFWPKSKKLEFLLKVSDRLEIENRDPPSALLMKFDAGSDFVIPSGDWTVKFDKTFMDNLERYRKYHSSKLMDLLRALRNKYHNFMDLPEDIAELMGPVPDGFYDYFTKRFPNLLIGVYMIVKENLSDDQILREFLYS

来源 Source

来源生物 organism	Saccharomyces cerevisiae
通用名 common_name	;Baker's yeast ;
NCBI 分类编号 ncbi_taxonomy_id	559292
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
分子量 formula_weight	332.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	14

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6. 折叠分类 (SCOP + CATH) 42 domains

CATH v4.4 (42 domains)

结构域编号 domain_id	3sdjA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjA02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjA03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjB02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjB03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjC02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjC03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjD02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjD03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjE01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjE02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjE03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjF01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjF02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjF03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjG01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjG02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjG03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjH01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjH02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjH03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjI01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjI02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjI03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjJ01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjJ02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjJ03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjK01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjK02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjK03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjL01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjL02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjL03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjM01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjM02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjM03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

结构域编号 domain_id	3sdjN01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3sdjN02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3sdjN03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1440 — de novo design (two linked rop proteins)
同源超家族 H-superfamily homologous superfamily	180 — KEN domain

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晶胞边长 a length_a	158.790 Å
晶胞边长 b length_b	163.450 Å
晶胞边长 c length_c	298.040 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	56

空间群 space_group	P 21 21 2
空间群编号 int_tables_number	18
晶系 crystal_system	—

分辨率 resolution	3.650 Å
最低分辨率 resolution_low	49.652 Å
R 因子 r_factor	0.2505
R_work r_work	0.2485
R_free r_free	0.2873

Structure of RNase-inactive point mutant of oligomeric kinase/RNase Ire1

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

Serine/threonine-protein kinase/endoribonuclease IRE1

当前结构中的状态

数据库中的同蛋白其他状态

2. 结构基本信息 2. Structure Basics

3. Official assembly/model 理论 SAXS Official SAXS Profiles

3sdj__assembly_4__model_1

3sdj__assembly_4__model_1 | I(q)

3sdj__assembly_4__model_1 | P(r) · Pending

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

5. 实体与聚合物信息 Entities & Polymers (2)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 non-polymer

6. 折叠分类 (SCOP + CATH) 42 domains

CATH v4.4 (42 domains)

7. 引用文献 (1)

Structure of RNase-inactive point mutant of oligomeric kinase/RNase Ire1

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

Serine/threonine-protein kinase/endoribonuclease IRE1

当前结构中的状态

数据库中的同蛋白其他状态

单体

同源二聚体

同源四聚体

其他同源多聚体

异源或核酸复合物

2. 结构基本信息 2. Structure Basics

3. Official assembly/model 理论 SAXS Official SAXS Profiles

3sdj__assembly_4__model_1

3sdj__assembly_4__model_1 | I(q)

3sdj__assembly_4__model_1 | P(r) · Pending

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

5. 实体与聚合物信息 Entities & Polymers (2)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 non-polymer

6. 折叠分类 (SCOP + CATH) 42 domains

CATH v4.4 (42 domains)

7. 引用文献 (1)