1lgr

INTERACTIONS OF NUCLEOTIDES WITH FULLY UNADENYLYLATED GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM

Method: X-RAY DIFFRACTION D_max: 158.4 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	1lgr
沉积日期 deposition_date	1994-08-05
结构标题 title	INTERACTIONS OF NUCLEOTIDES WITH FULLY UNADENYLYLATED GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM
关键词 keywords	LIGASE(AMIDE SYNTHETASE); LIGASE(AMIDE SYNTHETASE)
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	54.32 Å
回转半径 Rg (电子) rg_electron	53.91 Å
零角强度 I(0) i0	5116160000.00
分子量 molecular_weight	594550.0 kDa
排除体积 excluded_volume	739180 Å³
包络体积 envelope_volume	959500 Å³
水化壳体积 shell_volume	137520 Å³
包络直径 envelope_diameter	158.8 Å
壳层 Rg shell_rg	65.77 Å
包络 Rg envelope_rg	52.35 Å
形状 Rg shape_rg	53.87 Å
总 Rg total_rg	54.29 Å
总原子数 total_atoms	41760
残基数 n_residues	5340
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	158.4 Å
Rg (实空间) rg_real	53.93 Å
Rg 误差 (实空间) rg_real_error	0.65 Å
I(0) (实空间) i0_real	5.1160e+09
I(0) 误差 (实空间) i0_real_error	8.0030e+07
Rg (倒空间) rg_reciprocal	54.63 Å
I(0) (倒空间) i0_reciprocal	5121000000.0000
解质量估计 total_estimate	0.8635
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	76.5 Å
偏度 Skewness skewness	-0.042
峰度 Kurtosis kurtosis	-0.562
角度范围 angular_range	— – 0.1450 Å⁻¹
当前正则化参数 α current_alpha	0.0001
最高正则化参数 α highest_alpha	320500000.0000
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: 0.943; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.953; Smooth: 0.440

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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	GLUTAMINE SYNTHETASE
分子量 formula_weight	51744.4 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	41760

SAEHVLTMLNEHEVKFVDLRFTDTKGKEQHVTIPAHQVNAEFFEEGKMFDGSSIGGWKGINESDMVLMPDASTAVIDPFFADSTLIIRCDILEPGTLQGYDRDPRSIAKRAEDYLRATGIADTVLFGPEPEFFLFDDIRFGASISGSHVAIDDIEGAWNSSTKYEGGNKGHRPGVKGGYFPVPPVDSAQDIRSEMCLVMEQMGLVVEAHHHEVATAGQNEVATRFNTMTKKADEIQIYKYVVHNVAHRFGKTATFMPKPMFGDNGSGMHCHMSLAKNGTNLFSGDKYAGLSEQALYYIGGVIKHAKAINALANPTTNSYKRLVPGYEAPVMLAYSARNRSASIRIPVVASPKARRIEVRFPDPAANPYLCFAALLMAGLDGIKNKIHPGEPMDKNLYDLPPEEAKEIPQVAGSLEEALNALDLDREFLKAGGVFTDEAIDAYIALRREEDDRVRMTPHPVEFELYYSV

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 non-polymer

描述 description	ADENOSINE MONOPHOSPHATE
分子量 formula_weight	347.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	12

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6. 折叠分类 (SCOP + CATH) 48 domains

SCOP 2.08 (24 domains)

结构域编号 domain_id	d1lgra1
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	d1lgra2
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	d1lgrb1
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	d1lgrb2
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	d1lgrc1
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	d1lgrc2
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	d1lgrd1
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	d1lgrd2
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	d1lgre1
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	d1lgre2
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	d1lgrf1
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	d1lgrf2
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	d1lgrg1
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	d1lgrg2
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	d1lgrh1
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	d1lgrh2
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	d1lgri1
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	d1lgri2
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	d1lgrj1
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	d1lgrj2
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	d1lgrk1
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	d1lgrk2
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	d1lgrl1
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	d1lgrl2
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	1lgrA01
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	1lgrA02
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	1lgrB01
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	1lgrB02
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	1lgrC01
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	1lgrC02
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	1lgrD01
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	1lgrD02
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	1lgrE01
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	1lgrE02
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	1lgrF01
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	1lgrF02
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	1lgrG01
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	1lgrG02
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	1lgrH01
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	1lgrH02
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	1lgrI01
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	1lgrI02
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	1lgrJ01
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	1lgrJ02
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	1lgrK01
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	1lgrK02
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	1lgrL01
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	1lgrL02
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

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7. 引用文献 (3)

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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	2.790 Å
最低分辨率 resolution_low	8.000 Å
R 因子 r_factor	0.2330
R_work r_work	0.2330
R_free r_free	—