SAXSdb — 9iz0

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	9iz0
沉积日期 deposition_date	2024-07-31
结构标题 title	ATM/Tel1 bound to CHK2 peptide
关键词 keywords	ATM, Tel1, activation, AMPPNP, MMS-induced, DNA, STRUCTURAL PROTEIN; STRUCTURAL PROTEIN
实验方法 method	ELECTRON MICROSCOPY

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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	61.90 Å
回转半径 Rg (电子) rg_electron	61.15 Å
零角强度 I(0) i0	3150060000.00
分子量 molecular_weight	451170.0 kDa
排除体积 excluded_volume	554120 Å³
包络体积 envelope_volume	963710 Å³
水化壳体积 shell_volume	128680 Å³
包络直径 envelope_diameter	212.5 Å
壳层 Rg shell_rg	63.79 Å
包络 Rg envelope_rg	60.26 Å
形状 Rg shape_rg	61.22 Å
总 Rg total_rg	60.99 Å
总原子数 total_atoms	32048
残基数 n_residues	4862
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	206.7 Å
Rg (实空间) rg_real	61.80 Å
Rg 误差 (实空间) rg_real_error	1.60 Å
I(0) (实空间) i0_real	3.1500e+09
I(0) 误差 (实空间) i0_real_error	6.5100e+07
Rg (倒空间) rg_reciprocal	61.95 Å
I(0) (倒空间) i0_reciprocal	3151000000.0000
解质量估计 total_estimate	0.8751
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	66.1 Å
偏度 Skewness skewness	0.249
峰度 Kurtosis kurtosis	-0.551
角度范围 angular_range	— – 0.1250 Å⁻¹
当前正则化参数 α current_alpha	0.0002
最高正则化参数 α highest_alpha	374600000.0000
实空间数据点数 n_real_points	26
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.883; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.744

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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	VAL-SER-THR-GLN-GLU-LEU-TYR-SER
分子量 formula_weight	926.0 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	F
原子数 atom_count	32048

VSTQELYS

来源 Source

来源生物 organism	Homo sapiens
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 polymer

描述 description	Serine/threonine-protein kinase tel1
分子量 formula_weight	327514.1 kDa
EC 编号 ec_number	2.7.11.1
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B

MTSLNDIVNKLSSSKIKTRSDALQNLRSYIIYSRNGNSLNQEDALIIEKAIKRAFELEWQISANHGKRQISKASQEQKLQDISYLLRTCVESYILLFREPHILALLDIILRHTFTANGSICEVVCLNFSKALRLLLSHSPHLHHLRFSDWQSLVSYCCQAIEKLSIAEETYVSDSEEEPISQKNYQEISIWKSHDVIRVKQEVVELIYVMRSLVQWYAAPINFVSEQLLKFFEFFFYAYTEETDAHLPALQCLFQLCAYAIPNCNDYSASVVLLVFKILINSDKWKRLDLRLQLIQCLAISYPLWSNSETWDPHRSIRSFNLDLLNSSFFSLKNFLNFFGKRSSLSLANFRFHTVEPKNNIAKLYDPRLHLFFSLRHNSFFESYFIYFFLAKLILLKKTVLSLASTEQANKKQKTCSQIEELLLQAELANISASSFSLQLMVIITAISDNLTNDDLLSIQKMSLNFTEKKNELQSWSFFILFNICYNKAYSSMLTTSCKKEILAAASRGLLNSVTSPVCYQILTYFNMYRPLCFASIFPFIKQQFILFNDYSPMLSYEAIDYWKSLYILLNENLFVGQSSFKSVFLKWLKWHLYHLFSKEGELPFFSFTDSSIIIFDLLMMIFYRPLSLSYITTEIRSPFERNLFHLKEAWSPVTLRFPYTTDEICKQSTEGCYPFNSNHTIDCDSLQNVIKMLESSIDEISSASYDKDELDKETPSFEAVMIFSQISFLCGFLNCFIQKKGIHNVTPNNLVIFKNLFPEVLSFVKSNHSYDPIINCISTNLQFTISDEPKHLRYEIGSDLIRSTHFRDSNPLKTLVLYIMDMASKNVFIKPQEFDHDEYFSQEEEDIYRPENLIRNHQILGLMEGSLEQIRNTDLFILQKYIDYFSSHPHDSLINILHLYPIETFCFGMSAIGAYFLDVARTSEPIFYKCLEILAQKILMNYDYERDEVYLMIFIKIFQKCVHSKLQFTDATLKLIVKITKFIEKVFIETKFSSLSGRQTFLKFIFQLSPTSHVYSKFDYQKLISLTLKDSDVCVIYNFVDDLVIFLKKCDKTLIEGFVLPILSIKIEKSLYKGFCYLYLTLKVFLSISSNRSALLYQLLKLANSYETSTIFEPLLRKLHIQSANIKQLFRIYRLEIFWSFVSKDLSNTTNDFLEFPYKPIYFSLSDFLKENSDEIILVLILTKNITLAKLITSRMSVDFSEKYTQLIPVITTYTHLSEVENKKYSLRFNSIDEALDVELLNRSKAFLFCLEMLKEVKELGSTFKSISSTSFKVYSQLTIFANRVSFNNSTAIPFFSTKSVLWYCNRLFQELEGFSSIPSVIDLVLRRLAIQLHFATDEELQVTISFRLCAFLCFSDPFITSNYLVMIVLRIARQLLSIPCTQSLGLGIARFHLKKFKPTDFDYFFQLAEFCMDFLGFCYNTIGTKMEAIQDFYTWFDGYVTALLNFEYEGYGFLRCQINFVRSVMTTKNEWIEVSNKLFERGHFLKRIAMNNYLCLYFWQVLDACPRNVLHSLSLEIWKCYKAYDITEFPDSLKLFFSDIMGWNFFKSPEIADLNHYIPKTDPRLCDTKTYEESKLIIWKLICQKACSLLFKYDILLDSFIEDCIRMFFENGNHQELRKFLNFPKDSIIYDSDFKTLVSEEGSFQWVKLQPTNFDSLSNWTKEETLKLLNMMGKSSTTHSLKLLSTYMVGFSTSIIQYIIHLILLEFDFNGNNKKQKEYVTQLILSGLLNKNTNSIRKTCMNILLYLRRQLGHHALNPFEANYWVPINYSVAASTAYDCHLYEQSLLFLTIHNTKTDELDITLLSDILSQLPCPDAYYGIKRETSFKNILLKAVHEKRSPLAISYLDAANMYRSNEDEGTKMMFSNTLNNAGFFSLNEFYIDSLKANDAIDECSNEVYASAWRMQKWDIPPLSLDNKTTKDCLVFEVLHAVHNYAIYGNYLHLEEYINKKLLLINPNEEPDSLLFYALAYDLKFLIRCNQSQFNCDILQLLKENKQMSSQLHECFQLLLEIRNVLLSLLQSHKQLDLSDDLASFRKYYILELLKISESFLIVDNLQNAFSVAMLSDALYRKFDLADENLKHDIDFLSSKILWQRDEKIDAIGMLSESLSKTNSSIFPSISYAYLGNWLYTTKSEKTELVSKNYFEKSLSHMSHLNAKEKAKIYCMFAQFCDNNYSSPDLTEDFKRMEKLYFEKKNDIQQLERSIVNASNMKEEKMLKNHHSREMSSFIIDEREYLRMSTFRSKMLTQSITHYLKCLSESDENDVLISRCCTMWLSNSHLDELNNSLQHYLQNLPCKKFIPVFYQLAARLMNENSKFQQSLTSICYNVGRNHPYHSLHVLFSLVSNVPEIENLDAGSRYRAVKKILDLLKVNQGLSNLVTKLLCSFENYVSLAEWNPRSKVDSTSFSRFPGYKWFLKDAANYGLPPITMNVKVNDTGDYSNIPTVSSFDDTIHFASGINAPKVITCLGSNGHTYKQLVKGGNDDLRQDAVMEQVFEQVNGFLRSYRKTSQRNLSMRTYKVIPLALKTGVIEWVQDTIPLGEYLDSAHKVYHPKEWSLSTCRKLIAEKQMEDLETRLKVYDLVCRHYRPVFRHFFLESYADPVQWFTTQTNYARSTAVASVLGHVLGLGDRHGQNILIDKTSGEVIHIDLGIAFEQGKKLPVPECVPFRLTRDVVDGMGITGVEGVFRRCMEFTLETLRREEDSLLSVLEVLRYDPLFSWLISPLRRMKKQKMQLENFNQPESGNITTDASRDPKIQRNNVSGESEAERAILKVRQKLSSTLSVEASVGELIRIAQDPSYLALMFCGWSAFQ

来源 Source

来源生物 organism	Schizosaccharomyces pombe 972h-
NCBI 分类编号 ncbi_taxonomy_id	284812
宿主生物 host_organism	Schizosaccharomyces pombe

Entity 3 non-polymer

描述 description	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
分子量 formula_weight	506.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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7. 引用文献 (1)

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晶胞边长 a length_a	1.000 Å
晶胞边长 b length_b	1.000 Å
晶胞边长 c length_c	1.000 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	—

空间群 space_group	P 1
空间群编号 int_tables_number	1
晶系 crystal_system	—

分辨率 resolution	3.630 Å
最低分辨率 resolution_low	— Å
R 因子 r_factor	—
R_work r_work	—
R_free r_free	—

分辨率 resolution	3.63 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	64713

fit	/app/data/saxs_computation/iz/9iz0/9iz0.fit
pddf	/app/data/pr_computation/iz/9iz0/9iz0.pr.out
profile	/app/data/saxs_computation/iz/9iz0/9iz0.dat

ATM/Tel1 bound to CHK2 peptide

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

冷冻电镜 EM 3D

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 non-polymer

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)