2gls

REFINED ATOMIC MODEL OF GLUTAMINE SYNTHETASE AT 3.5 ANGSTROMS RESOLUTION

Method: X-RAY DIFFRACTION D_max: 157.3 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

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2gls
沉积日期 deposition_date	1989-05-19
结构标题 title	REFINED ATOMIC MODEL OF GLUTAMINE SYNTHETASE AT 3.5 ANGSTROMS RESOLUTION
关键词 keywords	LIGASE(AMIDE SYNTHETASE); LIGASE(AMIDE SYNTHETASE)
实验方法 method	X-RAY DIFFRACTION

▼

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	54.71 Å
回转半径 Rg (电子) rg_electron	54.30 Å
零角强度 I(0) i0	5514000000.00
分子量 molecular_weight	621060.0 kDa
排除体积 excluded_volume	773460 Å³
包络体积 envelope_volume	1022500 Å³
水化壳体积 shell_volume	144350 Å³
包络直径 envelope_diameter	158.8 Å
壳层 Rg shell_rg	67.53 Å
包络 Rg envelope_rg	52.69 Å
形状 Rg shape_rg	54.26 Å
总 Rg total_rg	54.71 Å
总原子数 total_atoms	43656
残基数 n_residues	5616
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

▼

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	157.3 Å
Rg (实空间) rg_real	54.31 Å
Rg 误差 (实空间) rg_real_error	0.67 Å
I(0) (实空间) i0_real	5.5140e+09
I(0) 误差 (实空间) i0_real_error	9.7310e+07
Rg (倒空间) rg_reciprocal	55.03 Å
I(0) (倒空间) i0_reciprocal	5520000000.0000
解质量估计 total_estimate	0.8573
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	75.9 Å
偏度 Skewness skewness	-0.046
峰度 Kurtosis kurtosis	-0.597
角度范围 angular_range	— – 0.1450 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	514600000.0000
实空间数据点数 n_real_points	30
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.960; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.961; Smooth: 0.301

▶

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

▶

5. 实体与聚合体信息 (3)

Entity 1 polymer

描述 description	GLUTAMINE SYNTHETASE
分子量 formula_weight	51875.6 kDa
EC 编号 ec_number	6.3.1.2
来源方法 src_method	man
拷贝数 entity_count	12

聚合体 Polymer

聚合体类型 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	43692

MSAEHVLTMLNEHEVKFVDLRFTDTKGKEQHVTIPAHQVNAEFFEEGKMFDGSSIGGWKGINESDMVLMPDASTAVIDPFFADSTLIIRCDILEPGTLQGYDRDPRSIAKRAEDYLRATGIADTVLFGPEPEFFLFDDIRFGASISGSHVAIDDIEGAWNSSTKYEGGNKGHRPGVKGGYFPVPPVDSAQDIRSEMCLVMEQMGLVVEAHHHEVATAGQNEVATRFNTMTKKADEIQIYKYVVHNVAHRFGKTATFMPKPMFGDNGSGMHCHMSLAKNGTNLFSGDKYAGLSEQALYYIGGVIKHAKAINALANPTTNSYKRLVPGYEAPVMLAYSARNRSASIRIPVVASPKARRIEVRFPDPAANPYLCFAALLMAGLDGIKNKIHPGEPMDKNLYDLPPEEAKEIPQVAGSLEEALNALDLDREFLKAGGVFTDEAIDAYIALRREEDDRVRMTPHPVEFELYYSV

来源 Source

来源生物 organism	Salmonella typhimurium
NCBI 分类编号 ncbi_taxonomy_id	602

Entity 2 non-polymer

描述 description	MANGANESE (II) ION
分子量 formula_weight	54.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	24

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	36

▼

6. 折叠分类 (SCOP + CATH) 48 domains

SCOP 2.08 (24 domains)

结构域编号 domain_id	d2glsa1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glsa2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

结构域编号 domain_id	d2glsb1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glsb2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

结构域编号 domain_id	d2glsc1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glsc2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

结构域编号 domain_id	d2glsd1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glsd2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

结构域编号 domain_id	d2glse1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glse2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

结构域编号 domain_id	d2glsf1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glsf2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

结构域编号 domain_id	d2glsg1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glsg2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

结构域编号 domain_id	d2glsh1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glsh2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

结构域编号 domain_id	d2glsi1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glsi2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

结构域编号 domain_id	d2glsj1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glsj2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

结构域编号 domain_id	d2glsk1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glsk2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

结构域编号 domain_id	d2glsl1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.9 — Glutamine synthetase, N-terminal domain
家族 Family family	d.15.9.1 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	d2glsl2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.128 — Glutamine synthetase/guanido kinase
超家族 Superfamily superfamily	d.128.1 — Glutamine synthetase/guanido kinase
家族 Family family	d.128.1.1 — Glutamine synthetase catalytic domain

CATH v4.4 (24 domains)

结构域编号 domain_id	2glsA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	2glsB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	2glsC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsC02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	2glsD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsD02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	2glsE01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsE02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	2glsF01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsF02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	2glsG01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsG02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	2glsH01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsH02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	2glsI01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsI02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	2glsJ01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsJ02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	2glsK01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsK02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

结构域编号 domain_id	2glsL01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	590 — Creatine Kinase; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Glutamine synthetase/guanido kinase, catalytic domain

结构域编号 domain_id	2glsL02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	70 — Glutamine synthetase, N-terminal domain

▶

7. 引用文献 (3)

▶

晶胞边长 a length_a	235.500 Å
晶胞边长 b length_b	134.500 Å
晶胞边长 c length_c	200.100 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	102.80 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	48

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	3.500 Å
最低分辨率 resolution_low	— Å
R 因子 r_factor	0.2580
R_work r_work	—
R_free r_free	—