1vyj

;Structural and biochemical studies of human PCNA complexes provide the basis for association with CDK/cyclin and rationale for inhibitor design ;

Method: X-RAY DIFFRACTION D_max: 154.1 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	1vyj
沉积日期 deposition_date	2004-04-30
结构标题 title	;Structural and biochemical studies of human PCNA complexes provide the basis for association with CDK/cyclin and rationale for inhibitor design ;
关键词 keywords	;DNA, REPLICATION, PROCESSIVITY, ONCOGENE, DNA-BINDING PROTEIN, DNA REPLICATION, DNA-BINDING SYSTEMIC LUPUS ERYTHEMATOSUS, DNA BINDING PROTEIN ;; DNA BINDING 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	45.98 Å
回转半径 Rg (电子) rg_electron	45.66 Å
零角强度 I(0) i0	488144000.00
分子量 molecular_weight	181760.0 kDa
排除体积 excluded_volume	227710 Å³
包络体积 envelope_volume	335160 Å³
水化壳体积 shell_volume	63145 Å³
包络直径 envelope_diameter	158.5 Å
壳层 Rg shell_rg	48.47 Å
包络 Rg envelope_rg	44.39 Å
形状 Rg shape_rg	45.66 Å
总 Rg total_rg	45.79 Å
总原子数 total_atoms	12712
残基数 n_residues	1641
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	154.1 Å
Rg (实空间) rg_real	46.03 Å
Rg 误差 (实空间) rg_real_error	1.22 Å
I(0) (实空间) i0_real	4.8810e+08
I(0) 误差 (实空间) i0_real_error	9.7490e+06
Rg (倒空间) rg_reciprocal	45.98 Å
I(0) (倒空间) i0_reciprocal	488100000.0000
解质量估计 total_estimate	0.8712
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	54.4 Å
偏度 Skewness skewness	0.321
峰度 Kurtosis kurtosis	-0.423
角度范围 angular_range	— – 0.1700 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	22740000.0000
实空间数据点数 n_real_points	35
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.812; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.884

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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 (3)

Entity 1 polymer

描述 description	PROLIFERATING CELL NUCLEAR ANTIGEN
分子量 formula_weight	28795.8 kDa
来源方法 src_method	man
拷贝数 entity_count	6

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,C,E,G,I,K
原子数 atom_count	13057

MFEARLVQGSILKKVLEALKDLINEACWDISSSGVNLQSMDSSHVSLVQLTLRSEGFDTYRCDRNLAMGVNLTSMSKILKCAGNEDIITLRAEDNADTLALVFEAPNQEKVSDYEMKLMDLDVEQLGIPEQEYSCVVKMPSGEFARICRDLSHIGDAVVISCAKDGVKFSASGELGNGNIKLSQTSNVDKEEEAVTIEMNEPVQLTFALRYLNFFTKATPLSSTVTLSMSADVPLVVEYKIADMGHLKYYLAPKIEDEEGS

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

Entity 2 polymer

描述 description	SMALL PEPTIDE SAVLQKKITDYFHPKK
分子量 formula_weight	1908.3 kDa
来源方法 src_method	man
拷贝数 entity_count	6

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B,D,F,H,J,L

SAVLQKKITDYFHPKK

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

Entity 3 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	320

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6. 折叠分类 (SCOP + CATH) 18 domains

SCOP 2.08 (12 domains)

结构域编号 domain_id	d1vyja1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

结构域编号 domain_id	d1vyja2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

结构域编号 domain_id	d1vyjc1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

结构域编号 domain_id	d1vyjc2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

结构域编号 domain_id	d1vyje1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

结构域编号 domain_id	d1vyje2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

结构域编号 domain_id	d1vyjg1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

结构域编号 domain_id	d1vyjg2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

结构域编号 domain_id	d1vyji1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

结构域编号 domain_id	d1vyji2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

结构域编号 domain_id	d1vyjk1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

结构域编号 domain_id	d1vyjk2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.131 — DNA clamp
超家族 Superfamily superfamily	d.131.1 — DNA clamp
家族 Family family	d.131.1.2 — DNA polymerase processivity factor

CATH v4.4 (6 domains)

结构域编号 domain_id	1vyjA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	70 — Box
拓扑 Topology topology	10 — Proliferating Cell Nuclear Antigen
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1vyjC00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	70 — Box
拓扑 Topology topology	10 — Proliferating Cell Nuclear Antigen
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1vyjE00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	70 — Box
拓扑 Topology topology	10 — Proliferating Cell Nuclear Antigen
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1vyjG00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	70 — Box
拓扑 Topology topology	10 — Proliferating Cell Nuclear Antigen
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1vyjI00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	70 — Box
拓扑 Topology topology	10 — Proliferating Cell Nuclear Antigen
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1vyjK00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	70 — Box
拓扑 Topology topology	10 — Proliferating Cell Nuclear Antigen
同源超家族 H-superfamily homologous superfamily	10 —

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7. 引用文献 (1)

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晶胞边长 a length_a	119.101 Å
晶胞边长 b length_b	119.101 Å
晶胞边长 c length_c	305.817 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	120.00 °
晶胞分子数 Z z_pdb	36

空间群 space_group	P 31 2 1
空间群编号 int_tables_number	152
晶系 crystal_system	—

分辨率 resolution	2.800 Å
最低分辨率 resolution_low	14.000 Å
R 因子 r_factor	0.1790
R_work r_work	0.1764
R_free r_free	0.2560

fit	/app/data/saxs_computation/vy/1vyj/1vyj.fit
pddf	/app/data/pr_computation/vy/1vyj/1vyj.pr.out
profile	/app/data/saxs_computation/vy/1vyj/1vyj.dat

;Structural and biochemical studies of human PCNA complexes provide the basis for association with CDK/cyclin and rationale for inhibitor design ;

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

5. 实体与聚合体信息 (3)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 water

6. 折叠分类 (SCOP + CATH) 18 domains

SCOP 2.08 (12 domains)

CATH v4.4 (6 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)