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- PDB-7w2f: An open-like conformation of the sigma-1 receptor from Xenopus la... -

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基本情報

登録情報
データベース: PDB / ID: 7w2f
タイトルAn open-like conformation of the sigma-1 receptor from Xenopus laevis complexed with PRE084 by co-crystallization
要素Sigma non-opioid intracellular receptor 1
キーワードMEMBRANE PROTEIN / sigma receptor / membrane receptor / S1R / ligand entry
機能・相同性
機能・相同性情報


ergosterol biosynthetic process / nuclear outer membrane / lipid transport / nuclear inner membrane / cytoplasmic vesicle / endoplasmic reticulum membrane / membrane
類似検索 - 分子機能
ERG2/sigma1 receptor-like / ERG2 and Sigma1 receptor like protein
類似検索 - ドメイン・相同性
Chem-E84 / Sigma non-opioid intracellular receptor 1
類似検索 - 構成要素
生物種Xenopus laevis (アフリカツメガエル)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 3.1 Å
データ登録者Meng, F. / Sun, Z. / Zhou, X.
資金援助 中国, 1件
組織認可番号
National Natural Science Foundation of China (NSFC)31770783 中国
引用ジャーナル: Nat Commun / : 2022
タイトル: An open-like conformation of the sigma-1 receptor reveals its ligand entry pathway.
著者: Meng, F. / Xiao, Y. / Ji, Y. / Sun, Z. / Zhou, X.
履歴
登録2021年11月23日登録サイト: PDBJ / 処理サイト: PDBJ
改定 1.02022年3月16日Provider: repository / タイプ: Initial release
改定 1.12022年3月23日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation_author.identifier_ORCID
改定 1.22023年11月29日Group: Data collection / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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構造の表示

構造ビューア分子:
MolmilJmol/JSmol

ダウンロードとリンク

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集合体

登録構造単位
A: Sigma non-opioid intracellular receptor 1
B: Sigma non-opioid intracellular receptor 1
C: Sigma non-opioid intracellular receptor 1
D: Sigma non-opioid intracellular receptor 1
E: Sigma non-opioid intracellular receptor 1
F: Sigma non-opioid intracellular receptor 1
G: Sigma non-opioid intracellular receptor 1
H: Sigma non-opioid intracellular receptor 1
I: Sigma non-opioid intracellular receptor 1
J: Sigma non-opioid intracellular receptor 1
K: Sigma non-opioid intracellular receptor 1
L: Sigma non-opioid intracellular receptor 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)307,31631
ポリマ-301,46012
非ポリマー5,85619
2,792155
1
A: Sigma non-opioid intracellular receptor 1
B: Sigma non-opioid intracellular receptor 1
C: Sigma non-opioid intracellular receptor 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)76,6107
ポリマ-75,3653
非ポリマー1,2454
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area6290 Å2
ΔGint-28 kcal/mol
Surface area29010 Å2
手法PISA
2
D: Sigma non-opioid intracellular receptor 1
E: Sigma non-opioid intracellular receptor 1
F: Sigma non-opioid intracellular receptor 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)76,6107
ポリマ-75,3653
非ポリマー1,2454
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area6270 Å2
ΔGint-27 kcal/mol
Surface area28980 Å2
手法PISA
3
G: Sigma non-opioid intracellular receptor 1
H: Sigma non-opioid intracellular receptor 1
I: Sigma non-opioid intracellular receptor 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)76,9028
ポリマ-75,3653
非ポリマー1,5375
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area6880 Å2
ΔGint-25 kcal/mol
Surface area29260 Å2
手法PISA
4
J: Sigma non-opioid intracellular receptor 1
K: Sigma non-opioid intracellular receptor 1
L: Sigma non-opioid intracellular receptor 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)77,1949
ポリマ-75,3653
非ポリマー1,8296
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area7400 Å2
ΔGint-18 kcal/mol
Surface area28820 Å2
手法PISA
単位格子
Length a, b, c (Å)135.345, 161.041, 202.210
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121

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要素

#1: タンパク質
Sigma non-opioid intracellular receptor 1 / Sigma 1-type opioid receptor / Sigma1-receptor / Sigma1R


分子量: 25121.682 Da / 分子数: 12 / 由来タイプ: 組換発現
由来: (組換発現) Xenopus laevis (アフリカツメガエル)
遺伝子: sigmar1, oprs1 / 発現宿主: Komagataella pastoris (菌類) / 参照: UniProt: Q6DCU6
#2: 化合物
ChemComp-E84 / 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate / PRE-084 / PRE-084


分子量: 317.423 Da / 分子数: 12 / 由来タイプ: 合成 / : C19H27NO3 / タイプ: SUBJECT OF INVESTIGATION / コメント: 抗うつ薬, アゴニスト*YM
#3: 糖
ChemComp-BOG / octyl beta-D-glucopyranoside / Beta-Octylglucoside / octyl beta-D-glucoside / octyl D-glucoside / octyl glucoside / オクチルβ-D-グルコピラノシド


タイプ: D-saccharide / 分子量: 292.369 Da / 分子数: 7 / 由来タイプ: 合成 / : C14H28O6 / コメント: 可溶化剤*YM
識別子タイププログラム
b-octylglucosideIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
#4: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 155 / 由来タイプ: 天然 / : H2O
研究の焦点であるリガンドがあるかY

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 3.66 Å3/Da / 溶媒含有率: 66.35 %
結晶化温度: 293.15 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 6.5 / 詳細: 0.1M Na+-HEPES pH 6.5, 28% PEG 300, 0.4mM PRE084

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データ収集

回折平均測定温度: 100 K / Serial crystal experiment: N
放射光源由来: シンクロトロン / サイト: SSRF / ビームライン: BL18U1 / 波長: 0.97915 Å
検出器タイプ: DECTRIS PILATUS3 6M / 検出器: PIXEL / 日付: 2021年9月19日
放射プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 0.97915 Å / 相対比: 1
反射解像度: 3.1→47.357 Å / Num. obs: 80396 / % possible obs: 99.5 % / 冗長度: 5.2 % / Biso Wilson estimate: 73.66 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.135 / Rpim(I) all: 0.065 / Rrim(I) all: 0.151 / Net I/σ(I): 8.1 / Num. measured all: 418467
反射 シェル

Diffraction-ID: 1

解像度 (Å)冗長度 (%)Rmerge(I) obsNum. measured allNum. unique obsCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
3.1-3.1535.40.9312146239930.7940.4411.0331.699.8
8.399-47.3574.70.0411977142070.9990.0210.04622.697.9

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位相決定

位相決定手法: 分子置換

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解析

ソフトウェア
名称バージョン分類
XDSBUILT 20210323データ削減
Aimless0.7.4データスケーリング
PHASER位相決定
PHENIX1.13_2998精密化
PDB_EXTRACT3.27データ抽出
精密化構造決定の手法: 分子置換
開始モデル: 5HK1
解像度: 3.1→47.357 Å / SU ML: 0.41 / 交差検証法: THROUGHOUT / σ(F): 1.34 / 位相誤差: 35.62 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.2878 3922 4.9 %
Rwork0.2558 76197 -
obs0.2574 80119 99.2 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータBiso max: 244.96 Å2 / Biso mean: 80.5425 Å2 / Biso min: 24 Å2
精密化ステップサイクル: final / 解像度: 3.1→47.357 Å
タンパク質核酸リガンド溶媒全体
原子数20333 0 416 155 20904
Biso mean--95.84 58.11 -
残基数----2583
LS精密化 シェル

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.1-3.13740.36121380.32512713100
3.1374-3.17710.35271300.31452694100
3.1771-3.21890.33241390.30172727100
3.2189-3.2630.32141400.29842669100
3.263-3.30960.34821340.2992743100
3.3096-3.3590.39561610.30242682100
3.359-3.41140.35091420.32677100
3.4114-3.46740.32461280.2999270099
3.4674-3.52710.31921430.27742683100
3.5271-3.59120.31791400.26822734100
3.5912-3.66030.29271460.25162709100
3.6603-3.7350.25071370.24332712100
3.735-3.81620.25831530.24722692100
3.8162-3.90490.25821410.24832705100
3.9049-4.00250.27591290.24482731100
4.0025-4.11070.24911440.2337273399
4.1107-4.23150.29731270.22812720100
4.2315-4.3680.24931440.22462729100
4.368-4.5240.21461560.2133265098
4.524-4.7050.24651470.2261273799
4.705-4.91890.25251470.21462724100
4.9189-5.1780.23961280.22622765100
5.178-5.50190.29991340.24872744100
5.5019-5.9260.31921300.282771100
5.926-6.5210.32491370.2841276099
6.521-7.46140.26881480.2582274398
7.4614-9.38860.23991360.232282199
9.3886-47.3570.35811430.2894272992
精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
13.57750.47711.37032.5011-2.16932.7347-0.24760.6789-1.0036-0.5622-0.57560.26710.79470.91230.66620.8081-0.77050.43050.94410.11391.0854.2919-47.5707-55.5257
21.2553-0.7477-0.18283.871-0.49983.85490.44170.3223-0.5546-0.33950.140.62440.5212-0.3829-0.53850.7795-0.06-0.34720.74240.00650.775662.2491-41.5305-88.8881
31.43440.72380.64662.48710.48671.6610.014-0.0256-0.0498-0.00790.12410.3720.3735-0.0869-0.16080.4704-0.0226-0.07780.54970.01270.62468.2642-34.7094-76.7953
41.10480.441-1.61124.4083-0.14733.9028-0.57090.7089-0.1962-0.2758-0.16740.37371.0646-0.86220.38280.4324-0.0624-0.14060.8788-0.08930.96448.6734-36.7823-82.1305
55.89092.8006-0.07361.66410.83562.53390.36371.26931.6436-0.26840.44730.8206-1.27590.2674-0.47710.20280.2342-0.27980.83120.23711.787137.4576-8.5224-80.6145
65.5527-1.9331-3.02323.3221.66196.7820.28620.2857-0.4826-1.00970.07431.4941-0.4847-0.591-0.33080.6769-0.0576-0.24370.62370.25811.051466.38314.4372-89.9324
74.16072.14080.25882.6111-1.25794.5511-0.14820.280.89530.1754-0.07730.0119-0.9169-0.26310.24410.66660.098-0.23260.62240.10060.949269.30163.7529-77.9221
82.24411.829-0.40573.2470.95793.1495-0.08550.92540.5116-0.6069-0.04170.63080.022-0.41820.12790.5952-0.0038-0.21330.69970.09020.731867.9951-12.4964-86.8101
92.8742-1.8639-3.70816.31661.5694.91880.36992.35220.759-0.3159-0.75260.66480.06550.38780.55290.57330.0865-0.20560.75920.11280.794467.2427-13.5604-84.3298
101.09251.1936-0.94971.556-1.91883.12560.12230.28190.4407-0.10990.29710.7786-0.25890.0308-0.47620.50840.04510.00960.57120.11650.783462.874-7.4783-74.4245
111.5508-0.2282-0.73653.29281.10380.64960.08430.05241.0195-0.56170.07540.0193-0.0209-1.6421-0.10760.47310.2490.14950.8638-0.10880.828759.81547.021-69.9348
126.60120.093-1.15062.6353-0.85880.43380.77550.6024-1.1782-1.1867-0.8926-0.5310.2703-1.189-0.02861.15730.502-0.2850.84170.09050.575115.745-48.4492-51.194
133.69151.10950.2923.4559-4.40776.7146-0.6390.17930.05250.13340.0895-0.0402-0.1741-1.27540.47070.64740.1413-0.07430.6605-0.21540.914931.443-76.2242-42.4835
145.7624-2.70753.87555.6298-1.7829.58390.33150.2419-0.845-0.15580.6556-0.4512-0.04160.8878-0.75420.534-0.0050.12430.5694-0.03970.689242.5668-78.0077-40.5677
153.5094-0.3353-0.67814.1551.31655.34740.11720.38850.13550.0644-0.0050.1925-0.12150.0342-0.16920.55030.02940.04060.5078-0.04190.517132.331-66.4863-33.3783
160.5378-0.7467-0.25442.47160.06860.1960.0724-0.0397-0.24-0.48090.1908-0.77920.42990.1048-0.2060.71060.04830.08060.47420.09950.468335.867-51.6881-33.2913
172.5569-0.44580.35356.01480.57747.2222-0.36670.69030.1665-2.3738-0.20980.1385-0.78940.10830.48311.0312-0.14970.16680.61680.08270.707942.7962-59.2632-48.1319
185.46320.2507-2.06721.92191.5654.18060.202-1.6353-0.87041.21860.1022-0.10850.69821.0741-0.62680.6719-0.8726-0.21070.9096-0.08950.946662.8585-39.6433-35.9949
194.65250.25180.71481.18260.22235.48780.4508-0.60650.24740.705-0.126-0.18960.26390.5243-0.36681.0668-0.1098-0.1340.8274-0.23630.723453.9688-48.2461-5.1979
201.9859-0.86511.05390.89181.36757.29060.209-0.11060.28580.1899-0.04050.28920.44030.8563-0.23150.7694-0.10160.01340.6808-0.27150.808348.5443-57.2272-16.8807
218.84981.53692.59466.3633-2.31278.1510.28350.40570.05780.8045-0.185-0.69270.46940.089-0.12810.72040.06870.04940.791-0.1120.539149.4826-67.4586-20.3334
220.2589-0.45720.59351.89740.41413.2069-0.2359-0.39630.6240.7140.2217-0.19550.41421.2493-0.09210.8601-0.0439-0.20740.7728-0.12140.975351.5214-56.0348-14.7796
231.36690.48521.31251.42210.05593.5211-0.10790.54230.76280.85150.5364-0.3004-0.7786-0.1115-0.42860.97710.05340.18440.36840.07850.840.7488-43.3071-20.0341
243.75071.27440.15441.8852-0.30532.13830.4276-0.22690.71890.8978-0.59170.5639-0.17110.0330.12331.0081-0.16590.04860.5307-0.10710.696651.6752-34.369-9.0963
254.64365.18192.55357.4161.07343.11650.1565-0.37270.93631.4367-0.05970.4740.5005-0.7027-0.04111.13990.08860.12840.5468-0.19281.015323.764-22.0026-9.9981
263.6544-2.94950.17162.97750.66062.72-0.6203-0.84610.2140.98580.60451.0414-0.1008-0.1019-0.08141.2852-0.13860.3680.9465-0.26480.87739.5757-52.2466-1.9451
271.13280.62940.27442.346-0.9240.70020.26880.1467-0.00920.8212-0.32480.8682-0.1315-0.45780.0130.8559-0.04220.38480.7386-0.2611.02410.0296-53.6428-14.0883
284.00872.34770.78373.12422.21693.36240.252-0.48580.36761.1214-0.49310.6182-0.0814-0.22580.26131.1757-0.10350.26740.7525-0.26010.780826.3946-53.4976-5.4869
295.61150.91272.80346.053-0.73533.19221.1375-0.5110.86750.9564-0.97881.55341.2059-0.072-0.35571.3505-0.36410.25320.8473-0.08270.71327.4207-52.5654-7.9281
301.11210.83180.55891.62631.68271.84420.16560.0691-0.02180.1405-0.21740.0087-0.4155-0.63820.00660.82310.08680.34290.6797-0.06840.814121.34-47.3318-17.4067
315.1332-3.48681.60013.3521-0.85690.8352-0.0437-0.5639-0.00131.38030.52851.4551-0.6412-0.2889-0.28850.89740.1370.49450.71930.11621.52196.8341-43.7059-21.4259
325.7141-0.5174-1.05970.33770.40230.45710.98890.24481.0687-1.0839-0.5248-0.23660.54271.3591-0.40341.34710.61280.48331.1419-0.08890.378351.832411.1551-51.3259
332.7542-1.1716-0.11146.3017-0.48673.85290.07830.27150.137-0.62660.03670.2822-0.3266-0.3644-0.16970.44280.0023-0.05820.5730.04170.577229.328632.9857-40.4974
345.1028-2.08230.13017.981-1.65994.2120.12670.7052-0.0886-0.26810.3642-0.54980.06930.3432-0.39230.4621-0.0093-0.05020.77330.01360.398238.15426.6709-31.7161
359.7174-4.39253.29565.411-2.82744.2764-0.4160.43460.31710.1597-0.0136-1.2966-0.64430.48020.430.48540.0238-0.07080.41220.07490.73343.645532.2911-25.586
362.9303-1.5285-2.1543.8994-0.4312.73780.11860.4573-0.0994-0.3118-0.10.28750.1780.05870.04780.35930.0003-0.10860.5234-0.04070.451335.509122.1379-33.0756
372.11260.1420.00882.92582.14357.1145-0.17090.6836-0.3768-0.5948-0.17380.1423-0.4408-0.18350.45770.7773-0.0524-0.22870.54-0.10960.672825.017921.2203-48.3155
383.65751.73431.61026.8329-2.94052.97450.0979-0.80790.39511.75850.25680.2695-0.5029-1.04220.29340.4919-0.8478-0.16440.8713-0.20980.91485.32721.7586-36.9115
395.82871.8198-1.46044.9803-0.9045.11430.3643-0.14910.10020.9848-0.14970.7092-0.0213-0.482-0.17370.72450.030.14520.55030.11670.559813.604810.0039-5.5924
403.1265-2.34270.69732.3129-2.44918.0170.15130.35820.05770.20490.28580.4914-0.5483-0.4794-0.35250.4656-0.00220.07760.48440.05890.672418.918821.8857-18.0364
415.94694.771-0.25358.77980.75453.52380.4342-0.1413-0.62070.6643-0.4207-0.0463-0.5015-1.05710.02890.7020.1650.21540.64330.05530.542916.21517.9015-14.9855
423.68332.6546-0.01821.97980.26571.82720.1331-0.2199-0.73590.3728-0.2178-0.22350.53330.00670.0660.7166-0.0439-0.06090.32670.06580.570120.4803-0.3555-13.4706
436.97922.5906-0.48729.2172-0.31452.41060.28580.4354-1.19221.9947-0.11220.0639-0.13880.3745-0.12631.15530.12940.01390.49090.07880.810345.0657-15.1297-9.7963
441.0775-1.24520.07313.52830.11790.488-0.2911-0.3597-0.09071.31730.3771-0.87950.04720.07310.07131.30380.0891-0.5230.82950.24180.968958.110614.321-1.9718
452.98530.4581.68743.4887-0.91043.47770.12730.1435-0.69840.0304-0.2137-1.1073-0.00760.51520.09920.5930.0403-0.18940.75370.2220.894957.700615.8356-14.1931
462.89882.3028-0.09932.29-0.44493.22410.236-0.2143-0.70650.5169-0.1739-1.15610.4803-0.17-0.16840.87880.1154-0.16080.53870.13850.715240.371614.3777-7.1454
473.41821.58721.65322.0611.89042.04190.5018-1.0019-0.54351.4082-0.2686-0.8233-0.7459-0.911-0.16041.3105-0.1358-0.26610.69840.06350.67642.809614.8678-2.1379
482.1787-0.07340.22271.6368-0.75452.480.10810.1866-0.07250.1962-0.2011-0.48050.45570.56660.09130.65830.1283-0.14120.5107-0.08960.754552.15359.2335-18.5047
493.436-1.32670.00321.72790.5110.19770.9702-0.2966-1.1253-0.2194-0.17050.67680.2478-0.4723-0.68850.89730.1884-0.08050.96870.27090.47195.767-36.2502-40.8734
506.2909-1.74710.59378.6014-2.13316.8033-0.307-0.4575-0.12410.31110.32820.0690.1504-0.2148-0.02180.49080.08340.00150.5887-0.04370.3633-25.9246-14.7225-52.5103
517.34071.5263-3.62957.3627-5.03194.53390.2951-0.66540.69732.2298-0.445-0.2659-1.8982-1.1514-0.08461.0498-0.05180.08970.6917-0.18950.5732-18.2468-5.4514-47.0238
522.9483-0.4806-0.28643.66171.08081.87810.0628-0.0845-0.2553-0.1449-0.0251-0.10620.1240.0702-0.04910.4607-0.0578-0.00490.5616-0.01130.5137-13.1017-17.8554-60.6694
535.1029-2.3999-2.5541.35842.31935.7355-0.15070.2189-0.2826-0.0374-0.0260.04640.6125-0.94770.21720.4534-0.04960.01160.5578-0.02740.741-17.771-28.7184-65.4914
541.5382-0.7988-0.34770.8018-0.3290.37660.2218-0.2060.19540.27370.0164-0.1981-0.01830.0796-0.1970.5128-0.0686-0.07250.598-0.13160.4676-8.3655-17.4378-60.4636
552.26110.2640.0452.1015-1.01515.879-0.412-0.4702-0.1682-0.04840.098-0.19150.0942-1.20670.24140.6518-0.0244-0.0820.8435-0.22580.5209-8.5823-8.2404-45.216
560.7104-0.8565-1.68772.7865-0.53577.30770.19810.18830.8852-0.8415-0.2941-1.105-0.6859-0.97990.46730.2667-0.6578-0.2830.8123-0.25940.861613.372910.0633-56.125
573.4543-0.543-0.57243.4086-0.51495.85290.28780.47740.7976-0.4985-0.1136-0.7143-0.73430.3412-0.18470.8489-0.00010.30340.6171-0.03190.75345.30053.398-89.4061
581.9220.0727-0.14391.7539-0.64251.09280.1631-0.26950.1368-0.1799-0.0042-0.1909-0.42180.0665-0.16240.6354-0.06130.1780.556-0.09440.701-0.5687-3.2684-77.0317
591.011-1.1631.36125.71640.32653.4243-0.49090.41940.5011-0.09430.2919-0.9299-0.88590.58030.09080.4307-0.17010.19250.862-0.11250.877318.9926-1.1886-82.4804
603.94460.965-1.42110.481-1.10252.8333-0.13151.1694-0.816-0.13420.5614-0.84941.03270.01430.06830.15430.31760.34120.9216-0.15341.889430.2188-29.3736-80.8074
613.2531.3242-0.36354.02591.10723.3694-0.09470.3925-0.5542-0.32250.2645-0.57340.52730.3896-0.12120.55270.04620.09150.4704-0.10930.7965-0.7078-41.9095-81.4928
620.9813-0.12960.20253.39060.38641.9769-0.06970.1407-0.3027-0.39810.116-0.8152-0.10.5113-0.04250.41590.00920.1160.6141-0.10960.63331.4634-26.9972-82.6209
634.6836-4.3626-0.46698.73640.85283.99570.82740.3841-0.9476-0.4935-0.5016-0.8351-0.07140.8417-0.20590.42410.0283-0.08690.6993-0.04460.98097.9977-44.949-70.1037
640.28020.4022-0.59294.29691.48082.6141-0.2148-0.651-0.1490.72350.3496-1.0232-0.12190.2859-0.44880.82930.25340.15171.3567-0.32360.046866.5937-3.3091-41.1384
655.60540.32581.87114.50481.14735.8362-0.2415-0.41220.09060.67070.28880.23840.13380.4245-0.09290.4690.08590.03370.46460.01970.38490.0126-25.9331-52.7692
662.9165-0.60251.98742.45930.28442.0601-0.0611-0.0820.3544-0.0010.16080.0092-0.0441-0.2057-0.10570.4237-0.01840.04570.5604-0.01250.416780.5655-17.5276-61.2627
670.8174-0.02080.11591.5690.17395.6599-0.3119-0.25990.1390.1167-0.09530.11490.38680.31120.54480.4503-0.16770.1230.79330.15350.567676.4779-29.6222-45.0136
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'K' and (resid 5 through 28 )K5 - 28
2X-RAY DIFFRACTION2chain 'K' and (resid 29 through 85 )K29 - 85
3X-RAY DIFFRACTION3chain 'K' and (resid 86 through 192 )K86 - 192
4X-RAY DIFFRACTION4chain 'K' and (resid 193 through 218 )K193 - 218
5X-RAY DIFFRACTION5chain 'L' and (resid 5 through 28 )L5 - 28
6X-RAY DIFFRACTION6chain 'L' and (resid 29 through 50 )L29 - 50
7X-RAY DIFFRACTION7chain 'L' and (resid 51 through 106 )L51 - 106
8X-RAY DIFFRACTION8chain 'L' and (resid 107 through 151 )L107 - 151
9X-RAY DIFFRACTION9chain 'L' and (resid 152 through 164 )L152 - 164
10X-RAY DIFFRACTION10chain 'L' and (resid 165 through 192 )L165 - 192
11X-RAY DIFFRACTION11chain 'L' and (resid 193 through 219 )L193 - 219
12X-RAY DIFFRACTION12chain 'A' and (resid 5 through 28 )A5 - 28
13X-RAY DIFFRACTION13chain 'A' and (resid 29 through 50 )A29 - 50
14X-RAY DIFFRACTION14chain 'A' and (resid 51 through 65 )A51 - 65
15X-RAY DIFFRACTION15chain 'A' and (resid 66 through 174 )A66 - 174
16X-RAY DIFFRACTION16chain 'A' and (resid 175 through 192 )A175 - 192
17X-RAY DIFFRACTION17chain 'A' and (resid 193 through 219 )A193 - 219
18X-RAY DIFFRACTION18chain 'B' and (resid 5 through 29 )B5 - 29
19X-RAY DIFFRACTION19chain 'B' and (resid 30 through 106 )B30 - 106
20X-RAY DIFFRACTION20chain 'B' and (resid 107 through 134 )B107 - 134
21X-RAY DIFFRACTION21chain 'B' and (resid 135 through 144 )B135 - 144
22X-RAY DIFFRACTION22chain 'B' and (resid 145 through 174 )B145 - 174
23X-RAY DIFFRACTION23chain 'B' and (resid 175 through 192 )B175 - 192
24X-RAY DIFFRACTION24chain 'B' and (resid 193 through 219 )B193 - 219
25X-RAY DIFFRACTION25chain 'C' and (resid 4 through 29 )C4 - 29
26X-RAY DIFFRACTION26chain 'C' and (resid 30 through 50 )C30 - 50
27X-RAY DIFFRACTION27chain 'C' and (resid 51 through 106 )C51 - 106
28X-RAY DIFFRACTION28chain 'C' and (resid 107 through 151 )C107 - 151
29X-RAY DIFFRACTION29chain 'C' and (resid 152 through 164 )C152 - 164
30X-RAY DIFFRACTION30chain 'C' and (resid 165 through 192 )C165 - 192
31X-RAY DIFFRACTION31chain 'C' and (resid 193 through 219 )C193 - 219
32X-RAY DIFFRACTION32chain 'D' and (resid 5 through 29 )D5 - 29
33X-RAY DIFFRACTION33chain 'D' and (resid 30 through 106 )D30 - 106
34X-RAY DIFFRACTION34chain 'D' and (resid 107 through 127 )D107 - 127
35X-RAY DIFFRACTION35chain 'D' and (resid 128 through 151 )D128 - 151
36X-RAY DIFFRACTION36chain 'D' and (resid 152 through 192 )D152 - 192
37X-RAY DIFFRACTION37chain 'D' and (resid 193 through 219 )D193 - 219
38X-RAY DIFFRACTION38chain 'E' and (resid 5 through 28 )E5 - 28
39X-RAY DIFFRACTION39chain 'E' and (resid 29 through 106 )E29 - 106
40X-RAY DIFFRACTION40chain 'E' and (resid 107 through 144 )E107 - 144
41X-RAY DIFFRACTION41chain 'E' and (resid 145 through 174 )E145 - 174
42X-RAY DIFFRACTION42chain 'E' and (resid 175 through 219 )E175 - 219
43X-RAY DIFFRACTION43chain 'F' and (resid 5 through 29 )F5 - 29
44X-RAY DIFFRACTION44chain 'F' and (resid 30 through 50 )F30 - 50
45X-RAY DIFFRACTION45chain 'F' and (resid 51 through 106 )F51 - 106
46X-RAY DIFFRACTION46chain 'F' and (resid 107 through 140 )F107 - 140
47X-RAY DIFFRACTION47chain 'F' and (resid 141 through 157 )F141 - 157
48X-RAY DIFFRACTION48chain 'F' and (resid 158 through 219 )F158 - 219
49X-RAY DIFFRACTION49chain 'G' and (resid 1 through 28 )G1 - 28
50X-RAY DIFFRACTION50chain 'G' and (resid 29 through 65 )G29 - 65
51X-RAY DIFFRACTION51chain 'G' and (resid 66 through 77 )G66 - 77
52X-RAY DIFFRACTION52chain 'G' and (resid 78 through 134 )G78 - 134
53X-RAY DIFFRACTION53chain 'G' and (resid 135 through 156 )G135 - 156
54X-RAY DIFFRACTION54chain 'G' and (resid 157 through 192 )G157 - 192
55X-RAY DIFFRACTION55chain 'G' and (resid 193 through 219 )G193 - 219
56X-RAY DIFFRACTION56chain 'H' and (resid 5 through 29 )H5 - 29
57X-RAY DIFFRACTION57chain 'H' and (resid 30 through 85 )H30 - 85
58X-RAY DIFFRACTION58chain 'H' and (resid 86 through 192 )H86 - 192
59X-RAY DIFFRACTION59chain 'H' and (resid 193 through 218 )H193 - 218
60X-RAY DIFFRACTION60chain 'I' and (resid 5 through 28 )I5 - 28
61X-RAY DIFFRACTION61chain 'I' and (resid 29 through 106 )I29 - 106
62X-RAY DIFFRACTION62chain 'I' and (resid 107 through 192 )I107 - 192
63X-RAY DIFFRACTION63chain 'I' and (resid 193 through 219 )I193 - 219
64X-RAY DIFFRACTION64chain 'J' and (resid 5 through 29 )J5 - 29
65X-RAY DIFFRACTION65chain 'J' and (resid 30 through 85 )J30 - 85
66X-RAY DIFFRACTION66chain 'J' and (resid 86 through 192 )J86 - 192
67X-RAY DIFFRACTION67chain 'J' and (resid 193 through 219 )J193 - 219

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万見について

-
お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

  • EMDBのヘッダファイルのバージョン3が、公式のフォーマットとなりました。
  • これまでは公式だったバージョン1.9は、アーカイブから削除されます。

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbjlvh1.pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月:コロナウイルスプロテーアーゼ

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか? / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例:em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

  • 万見(Yorodumi)は、EMDB/PDB/SASBDBなどの構造データを閲覧するためのページです。
  • EM Navigatorの詳細ページの後継、Omokage検索のフロントエンドも兼ねています。

関連情報:EMDB / PDB / SASBDB / 3つのデータバンクの比較 / 万見検索 / 2016年8月31日: 新しいEM Navigatorと万見 / 万見文献 / Jmol/JSmol / 機能・相同性情報 / 新しいEM Navigatorと万見の変更点

他の情報も見る