1hqj

CRYSTAL STRUCTURE OF A DE NOVO DESIGNED TRIMERIC COILED-COIL PEPTIDE

Method: X-RAY DIFFRACTION

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

当前条目没有可用的 UniProt 蛋白身份。

七张关系表仍保留该条目的 assembly 与组成信息，但缺少统一蛋白身份时，不能可靠建立跨 PDB 的同蛋白链接。

当前条目的 assembly 组成

Assembly	物理组成	蛋白状态	蛋白 / DNA / RNA / 其他聚合物	数据核对
1	蛋白同源多聚体	同源多聚体	3 / 0 / 0 / 0	与蛋白数一致
2	蛋白同源多聚体	同源多聚体	3 / 0 / 0 / 0	与蛋白数一致
3	蛋白同源多聚体	同源多聚体	3 / 0 / 0 / 0	与蛋白数一致
4	蛋白同源多聚体	同源多聚体	3 / 0 / 0 / 0	与蛋白数一致
5	蛋白同源多聚体	同源多聚体	12 / 0 / 0 / 0	与蛋白数一致

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	1hqj
沉积日期 deposition_date	2000-12-18
结构标题 title	CRYSTAL STRUCTURE OF A DE NOVO DESIGNED TRIMERIC COILED-COIL PEPTIDE
关键词 keywords	coiled coil, de novo design, alpha-helix, trimer, DE NOVO PROTEIN; DE NOVO PROTEIN
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。

1hqj__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

下载该曲线 .dat

1hqj__assembly_2__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

1hqj__assembly_2__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	11.88 Å
Rg（电子密度）	10.22 Å
总 Rg	11.81 Å
原子数	419
残基数	42
排除体积	7407 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	`1hqj__assembly_1__model_1`	trimeric （3）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
2	1	`1hqj__assembly_2__model_1`	trimeric （3）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
3	1	`1hqj__assembly_3__model_1`	trimeric （3）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
4	1	`1hqj__assembly_4__model_1`	trimeric （3）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
5	1	`1hqj__assembly_5__model_1`	dodecameric （12）	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 (4)

实体 1 Entity 1 polymer

描述 description	ZJU-GLU-LEU-GLU-ALA-ARG-ILE-ARG-GLU-LEU-GLU-ALA-ARG-ILE-LYS-NH2
分子量 formula_weight	2031.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	12

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
原子数 atom_count	1870

DELERRIRELEARIK

实体 2 Entity 2 non-polymer

描述 description	LEAD (II) ION
分子量 formula_weight	207.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	9

实体 3 Entity 3 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 4 Entity 4 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	147

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6. 折叠分类 (SCOP + CATH) 12 domains

SCOP 2.08 (12 domains)

结构域编号 domain_id	d1hqja_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

结构域编号 domain_id	d1hqjb_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

结构域编号 domain_id	d1hqjc_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

结构域编号 domain_id	d1hqjd_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

结构域编号 domain_id	d1hqje_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

结构域编号 domain_id	d1hqjf_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

结构域编号 domain_id	d1hqjg_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

结构域编号 domain_id	d1hqjh_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

结构域编号 domain_id	d1hqji_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

结构域编号 domain_id	d1hqjj_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

结构域编号 domain_id	d1hqjk_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

结构域编号 domain_id	d1hqjl_
类 Class class	k — Designed proteins
折叠类型 Fold fold	k.40 — Designed trimeric coiled-coil
超家族 Superfamily superfamily	k.40.1 — Designed trimeric coiled-coil
家族 Family family	k.40.1.1 — Designed trimeric coiled-coil

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晶胞边长 a length_a	44.334 Å
晶胞边长 b length_b	44.874 Å
晶胞边长 c length_c	81.043 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	48

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	1.200 Å
最低分辨率 resolution_low	10.000 Å
R 因子 r_factor	—
R_work r_work	—
R_free r_free	0.2230