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- PDB-7w2g: 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: 7w2g
タイトルAn open-like conformation of the sigma-1 receptor from Xenopus laevis complexed with PRE084 by soaking
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: 2.851 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 ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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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
3,279182
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 area6330 Å2
ΔGint-28 kcal/mol
Surface area28840 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 area6320 Å2
ΔGint-29 kcal/mol
Surface area28840 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)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 area7460 Å2
ΔGint-17 kcal/mol
Surface area28470 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)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 area6890 Å2
ΔGint-21 kcal/mol
Surface area28510 Å2
手法PISA
単位格子
Length a, b, c (Å)135.042, 161.019, 201.944
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
11(chain A and (resid 8 through 202 or resid 204 through 301))
21(chain B and (resid 8 through 202 or resid 204 through 301))
31(chain C and (resid 8 through 202 or resid 204 through 301))
41(chain D and (resid 8 through 202 or resid 204 through 301))
51(chain E and (resid 8 through 202 or resid 204 through 301))
61(chain F and (resid 8 through 202 or resid 204 through 301))
71(chain G and (resid 8 through 202 or resid 204 through 301))
81(chain H and (resid 8 through 202 or resid 204 through 301))
91(chain I and (resid 8 through 202 or resid 204 through 301))
101(chain J and (resid 8 through 202 or resid 204 through 301))
111(chain K and (resid 8 through 202 or resid 204 through 301))
121(chain L and (resid 8 through 202 or resid 204 through 301))

NCSドメイン領域:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ARGARGVALVAL(chain A and (resid 8 through 202 or resid 204 through 301))AA8 - 20212 - 206
12SERSERE84E84(chain A and (resid 8 through 202 or resid 204 through 301))AA - M204 - 301208
21ARGARGVALVAL(chain B and (resid 8 through 202 or resid 204 through 301))BB8 - 20212 - 206
22SERSERE84E84(chain B and (resid 8 through 202 or resid 204 through 301))BB - N204 - 301208
31ARGARGVALVAL(chain C and (resid 8 through 202 or resid 204 through 301))CC8 - 20212 - 206
32SERSERE84E84(chain C and (resid 8 through 202 or resid 204 through 301))CC - P204 - 301208
41ARGARGVALVAL(chain D and (resid 8 through 202 or resid 204 through 301))DD8 - 20212 - 206
42SERSERE84E84(chain D and (resid 8 through 202 or resid 204 through 301))DD - Q204 - 301208
51ARGARGVALVAL(chain E and (resid 8 through 202 or resid 204 through 301))EE8 - 20212 - 206
52SERSERE84E84(chain E and (resid 8 through 202 or resid 204 through 301))EE - R204 - 301208
61ARGARGVALVAL(chain F and (resid 8 through 202 or resid 204 through 301))FF8 - 20212 - 206
62SERSERE84E84(chain F and (resid 8 through 202 or resid 204 through 301))FF - T204 - 301208
71ARGARGVALVAL(chain G and (resid 8 through 202 or resid 204 through 301))GG8 - 20212 - 206
72SERSERE84E84(chain G and (resid 8 through 202 or resid 204 through 301))GG - U204 - 301208
81ARGARGVALVAL(chain H and (resid 8 through 202 or resid 204 through 301))HH8 - 20212 - 206
82SERSERE84E84(chain H and (resid 8 through 202 or resid 204 through 301))HH - W204 - 301208
91ARGARGVALVAL(chain I and (resid 8 through 202 or resid 204 through 301))II8 - 20212 - 206
92SERSERE84E84(chain I and (resid 8 through 202 or resid 204 through 301))II - Y204 - 301208
101ARGARGVALVAL(chain J and (resid 8 through 202 or resid 204 through 301))JJ8 - 20212 - 206
102SERSERE84E84(chain J and (resid 8 through 202 or resid 204 through 301))JJ - AA204 - 301208
111ARGARGVALVAL(chain K and (resid 8 through 202 or resid 204 through 301))KK8 - 20212 - 206
112SERSERE84E84(chain K and (resid 8 through 202 or resid 204 through 301))KK - CA204 - 301208
121ARGARGVALVAL(chain L and (resid 8 through 202 or resid 204 through 301))LL8 - 20212 - 206
122SERSERE84E84(chain L and (resid 8 through 202 or resid 204 through 301))LL - EA204 - 301208

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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: 182 / 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: 3.64 Å3/Da / 溶媒含有率: 66.22 %
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 soaking

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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: BL19U1 / 波長: 0.9785 Å
検出器タイプ: DECTRIS PILATUS3 6M / 検出器: PIXEL / 日付: 2021年10月25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: 0.9785 Å / 相対比: 1
反射解像度: 2.851→48.423 Å / Num. obs: 102980 / % possible obs: 99.9 % / 冗長度: 11.2 % / Biso Wilson estimate: 69.84 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.134 / Rpim(I) all: 0.041 / Rrim(I) all: 0.14 / Net I/σ(I): 13.3 / Num. measured all: 1151095
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
2.851-2.911.61.5055925151020.8080.4571.5741.8100
7.729-48.423100.03154280542210.010.0334399.1

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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
XDS20210323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: 2.851→47.671 Å / SU ML: 0.39 / 交差検証法: THROUGHOUT / σ(F): 1.34 / 位相誤差: 35.51 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.283 5134 5 %
Rwork0.2536 97579 -
obs0.2551 102713 99.64 %
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: 170.22 Å2 / Biso mean: 76.8882 Å2 / Biso min: 34.89 Å2
精密化ステップサイクル: final / 解像度: 2.851→47.671 Å
タンパク質核酸リガンド溶媒全体
原子数20200 0 416 182 20798
Biso mean--82.54 63.23 -
残基数----2564
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDRmsタイプ
11A12125X-RAY DIFFRACTION7.749TORSIONAL
12B12125X-RAY DIFFRACTION7.749TORSIONAL
13C12125X-RAY DIFFRACTION7.749TORSIONAL
14D12125X-RAY DIFFRACTION7.749TORSIONAL
15E12125X-RAY DIFFRACTION7.749TORSIONAL
16F12125X-RAY DIFFRACTION7.749TORSIONAL
17G12125X-RAY DIFFRACTION7.749TORSIONAL
18H12125X-RAY DIFFRACTION7.749TORSIONAL
19I12125X-RAY DIFFRACTION7.749TORSIONAL
110J12125X-RAY DIFFRACTION7.749TORSIONAL
111K12125X-RAY DIFFRACTION7.749TORSIONAL
112L12125X-RAY DIFFRACTION7.749TORSIONAL
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 (%)
2.8512-2.88360.40081720.33093252100
2.8836-2.91750.34561550.33233229100
2.9175-2.95310.36281700.33723189100
2.9531-2.99050.3841690.32673256100
2.9905-3.02980.34971650.30993209100
3.0298-3.07130.35321590.29953242100
3.0713-3.11520.33271680.29293231100
3.1152-3.16170.33461830.29433220100
3.1617-3.21110.32441570.29543235100
3.2111-3.26370.33511720.29293202100
3.2637-3.320.34082080.29133210100
3.32-3.38030.35391740.2713252100
3.3803-3.44530.30261510.26183250100
3.4453-3.51560.3241650.26273231100
3.5156-3.5920.27321780.25743235100
3.592-3.67560.25631510.24443258100
3.6756-3.76750.30911590.23853252100
3.7675-3.86930.30471750.24483234100
3.8693-3.98310.27451830.24113262100
3.9831-4.11160.24221880.22823253100
4.1116-4.25840.26221590.21653243100
4.2584-4.42880.23921450.2133276100
4.4288-4.63020.23021710.2088326799
4.6302-4.87410.25321660.20973275100
4.8741-5.17910.26351800.21573297100
5.1791-5.57850.27351960.24963238100
5.5785-6.13880.27731750.27113332100
6.1388-7.02470.2841720.27283302100
7.0247-8.84110.23241870.23763342100
8.8411-47.6710.27771810.283330594
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)
14.8988-1.056-1.27475.5878-0.41133.96710.1736-1.00830.60150.95120.1464-0.4835-0.33110.3643-0.24250.64840.0738-0.10720.5757-0.15560.7422-69.574644.426787.3881
22.7034-0.58640.34193.508-0.9282.80710.11230.09890.58960.3173-0.0226-0.3563-0.48920.54730.01840.486-0.05-0.13240.473-0.10270.7562-67.022239.621275.8854
31.58330.15160.82884.90940.25312.5911-0.3407-0.36090.42320.83220.0135-0.7041-0.01220.38740.23810.4530.0259-0.15190.5524-0.08240.5945-67.790524.596686.3432
40.6317-0.1641-0.89782.010.68451.4276-0.562-1.5794-0.41020.64670.3824-0.47750.70660.3241-0.00190.54860.1763-0.16120.7519-0.20760.6988-63.836128.686689.7241
51.7392-1.0806-0.6410.6612-0.13741.61560.10730.12040.63080.02350.2233-0.6403-0.08860.2709-0.21480.3989-0.10130.0280.6074-0.09170.7294-62.64635.979473.5598
66.19031.2990.75860.26110.24880.13281.0471-0.4731-0.99260.6984-0.6714-0.3477-0.50941.0333-0.351.1538-0.381-0.13331.0553-0.0330.3842-15.9168-11.232151.3337
72.3624-0.25030.36766.8791-1.70822.6882-0.1113-0.7585-0.36410.55660.12220.29060.0608-0.12510.03990.4218-0.03210.03030.64540.09440.5699-38.5039-35.134441.5051
81.5890.922-2.31132.6181-0.9583.08830.043-0.33120.0177-0.0720.1052-0.34760.08340.2037-0.13720.3747-0.01840.02090.5190.03840.4287-29.6597-28.653931.8462
92.22040.4858-1.13671.81310.62860.9841-0.0007-0.63740.14380.6406-0.0850.3017-0.08660.26540.00330.56210.04410.12730.5298-0.06940.4412-39.9103-18.29642.4515
100.7120.9177-0.79981.43480.17146.0482-1.1831-0.66940.0968-0.0570.38470.5723-0.3981-1.54290.6780.91290.50580.06231.1517-0.1551.1709-62.5217-1.680135.3365
115.6443-2.09981.81242.8621-1.01574.07530.52190.1972-0.0135-0.7892-0.06280.6679-0.0905-0.428-0.46270.773-0.0146-0.16830.64510.16620.5962-55.374-10.50373.6983
122.1588-1.50060.20942.2201-0.70783.07230.0113-0.2216-0.1978-0.49330.02130.3910.0523-0.4399-0.0140.4481-0.0468-0.03220.41560.01630.411-48.2783-15.477516.0878
132.589-0.5128-1.03472.62360.84524.22110.54730.78861.4654-1.297-0.51020.3359-0.3617-0.33210.00180.83230.0694-0.0140.40690.08970.6452-51.11363.59429.4529
143.9943-1.47150.17234.7155-1.39413.6233-0.37330.0740.4722-0.66310.0503-0.14540.6890.08870.31540.8073-0.13690.03660.44580.00830.8075-23.911216.336910.3477
151.96240.1989-0.71644.93790.20071.2337-0.04170.35130.1753-1.19860.05-0.64070.217-0.17870.04490.9219-0.02350.38910.75960.21910.8113-7.3319-16.79444.8789
161.60631.3988-0.79323.7436-1.62312.53590.1435-0.20880.17260.0992-0.3786-0.9644-0.33180.510.14660.5427-0.06070.21940.72630.15040.8204-11.9593-13.654216.3338
172.2387-1.85020.59432.4965-0.76912.14470.50420.11710.746-0.9133-0.5728-0.5563-0.61920.28190.08230.7729-0.05230.23310.4470.10080.7443-25.2069-14.5818.3436
182.2432-0.01210.16311.9038-0.83521.86510.2450.49730.4229-0.8953-0.0464-0.93260.49180.0717-0.08970.85160.03680.20190.50060.00530.4913-24.4152-15.05715.3606
190.8305-0.8916-0.10782.0074-0.55172.43280.3061-0.31910.2263-0.1336-0.441-0.8193-0.6240.51520.0710.6026-0.17540.11290.4982-0.03830.7898-13.4538-6.568422.1438
206.91130.9624-0.76838.1141-1.88921.15140.6713-0.08440.89671.0515-0.0258-0.2209-0.3966-1.7272-0.28841.0093-0.2911-0.00620.91820.00290.5934-51.274749.063751.3391
215.2427-0.1071-0.03928.9245-1.74222.2206-0.6113-0.58320.08380.3767-0.10970.12560.2359-0.56780.79710.6175-0.0790.06240.6249-0.13570.726-36.172776.27542.5026
222.97761.8430.72574.9933-1.40621.98180.3482-0.010.76720.41170.6917-0.4482-0.28820.4513-0.88960.44210.016-0.02320.6021-0.0880.6972-25.015378.028640.5467
232.72460.5221-1.13073.37820.31694.70880.1633-0.2612-0.2380.19410.3141-0.4467-0.17790.8153-0.32440.53280.031-0.03870.565-0.09520.5976-27.322465.247639.3482
241.32310.25770.69835.04161.22623.55720.1456-0.20280.183-0.3751-0.03950.444-0.1704-0.2483-0.0620.5317-0.0025-0.06590.5095-0.04620.5849-40.086167.307629.7168
252.66821.3750.33492.6862-0.07931.2799-0.0534-0.2079-0.05770.91660.0229-0.3222-0.03630.0277-0.04420.75560.0884-0.14180.44060.05980.4759-27.408356.40642.2652
260.24060.1574-0.040.09280.46352.0064-1.22550.4963-0.3838-0.0173-0.8291-0.19470.01081.31251.77990.90430.51320.07551.29410.111.2226-4.778139.896735.212
273.8059-0.13020.33242.51380.48763.35770.3620.4501-0.0602-0.77130.0603-0.5053-0.00510.7428-0.42051.09180.13310.16650.9056-0.24220.6994-13.525748.31095.2523
281.399-0.44330.29241.53250.13144.0610.09260.0339-0.0838-0.69610.0813-0.41580.11970.6211-0.19910.7320.10570.06430.5728-0.1050.7239-19.526255.378217.1438
291.9466-0.87751.05873.4434-1.98133.99370.84870.8738-1.1566-1.7271-0.87350.12110.27960.36080.10251.13280.19660.03390.648-0.18990.7015-16.185334.66039.2316
302.7993-1.6117-1.53635.43840.57222.0864-0.31960.4116-0.2336-0.5458-0.01310.6527-0.6922-0.58690.45230.9034-0.1227-0.09780.4599-0.14520.8245-43.35921.801210.2609
312.20220.5815-0.30893.74010.74461.7250.29770.3667-0.2051-0.5953-0.32610.88570.196-0.28340.13490.890.089-0.36440.7283-0.24680.9965-57.703253.086410.684
322.9973-1.6144-0.3582.80151.9923.25660.2420.3408-0.626-1.2168-0.53520.90430.35380.03840.19811.07350.1133-0.22960.6746-0.2090.7347-40.352453.40556.116
332.69971.12130.23080.9103-0.02481.39260.5724-0.1102-0.553-1.3338-0.75730.4024-0.1408-0.22830.09921.17260.2166-0.25930.7267-0.12790.7708-45.829152.01086.8904
341.0710.3795-1.5152.1843-0.77882.23770.280.0762-0.0166-0.47360.11650.70210.4043-0.3975-0.34010.783-0.0766-0.27420.61640.02280.9759-53.87544.475322.0901
350.68970.47431.29253.59241.46892.4376-0.36281.11010.1318-0.5940.2424-1.3132-0.10530.8594-0.25210.7636-0.2384-0.13141.0049-0.4696-0.3117-0.40493.264440.8187
363.7151-0.0295-2.24093.35950.50615.30070.03090.166-0.0629-0.56290.05890.0398-0.07110.5166-0.10690.4969-0.0435-0.03690.46370.02340.35822.221625.759952.4706
372.3311.3875-1.46141.92580.01772.2716-0.05860.1424-0.2788-0.04530.10890.0297-0.0835-0.1284-0.04710.39490.02480.00930.508-0.02470.406612.896817.582661.1805
381.8742-0.274-1.73373.16231.17864.6513-0.33490.8977-0.137-0.4075-0.18820.2925-0.6377-0.21860.44550.51270.1182-0.16170.94760.17560.58768.692129.716544.9518
390.4391-0.07980.53570.54160.39968.7716-0.1291-0.0710.4714-0.1451-0.8682-0.051-1.9328-0.58120.95510.83020.4005-0.17891.0310.04971.091-12.858148.372857.5327
401.56170.622-0.20222.8856-0.18413.31770.1619-0.30260.47340.53470.10360.5486-0.6046-0.1626-0.27250.71570.04330.27650.64-0.02420.6787-5.809740.049386.8955
412.10130.9088-1.59262.01630.3783.550.24210.34930.20160.1841-0.08880.3346-0.69740.1883-0.10540.560.02210.11660.5567-0.05740.65164.280534.915875.9777
420.1336-0.0645-0.33870.32471.30679.21980.589-0.1460.4301-0.25770.35050.0278-0.7255-0.224-0.99420.6910.02250.05840.4558-0.0840.584913.907136.979575.7674
433.0819-1.0227-0.29233.0430.66432.61690.57390.28840.18760.069-0.33240.343-0.96980.3514-0.30080.62390.0380.14610.6824-0.0090.63212.089437.534677.2244
440.6072-0.62670.64824.8475-0.07370.868-0.0420.0032-0.16480.42070.63742.36960.027-0.2487-0.46120.48580.04360.12830.73820.17490.911-9.150726.698971.5214
453.6644-1.44620.73074.57210.67364.1847-0.5095-0.8810.06640.21930.39030.97-0.6834-0.98580.08180.47450.20040.14480.9193-0.02360.8518-19.179637.060782.1295
463.2878-3.3899-1.01034.06251.20280.5749-0.2319-0.9851-0.68350.2840.0140.73160.60530.30650.06340.5477-0.16310.17720.9690.03821.0879-29.47087.939280.5821
472.4108-0.620.66563.03640.1052.8146-0.0181-0.2331-0.15120.32840.12090.37220.3971-0.3184-0.08750.78850.00650.15890.73650.22070.89672.0983-6.34387.2421
483.5401-0.0094-1.36431.12620.13194.498-0.16430.2835-0.7462-0.14770.14950.35020.8613-0.58120.08070.5493-0.05130.16510.59920.07850.867-0.4176-1.616975.6844
493.5065-0.9434-0.92753.1420.83082.9404-0.1655-0.5351-0.4620.59240.1150.55710.2226-0.31580.04540.56230.00270.19180.66840.13420.60990.235113.40886.0601
502.6061.79231.14033.75980.34962.9922-0.0753-1.0561-0.09190.19080.01960.71860.07010.10040.06570.51430.02060.11120.75020.19960.7234-0.87117.952985.1071
510.48720.0669-0.67751.4698-2.18713.72790.61290.11920.55060.15620.74140.92660.2054-0.1574-1.36060.4626-0.10130.00850.70170.09140.7415-6.262210.89568.665
523.51451.3033-0.19147.873-1.84483.26170.052-0.0172-1.46480.62040.22690.2610.3415-0.8013-0.2330.5458-0.17510.01340.7216-0.09091.0606-7.6745-7.005269.7443
530.0245-0.34820.07674.79660.10991.5755-0.31450.4984-0.0401-0.38030.38661.8679-0.0707-1.04640.01530.8787-0.30010.04351.15850.1907-0.1326-66.84334.590741.061
544.741.84030.27796.6281-1.31015.9021-0.06770.35370.0898-0.16280.16570.22080.0093-0.1369-0.10260.5026-0.0538-0.020.5884-0.01480.4217-93.420914.726652.4272
552.2581.1031-0.00245.1457-1.5583.72690.03180.2365-0.0958-0.417-0.0443-0.15660.2346-0.13220.08920.31960.02050.00290.4244-0.03520.3302-81.457110.793754.1593
564.78151.84272.61526.85440.83292.5033-0.36330.53180.1754-1.0555-0.0614-0.58020.38260.00650.56940.67540.15970.00670.6766-0.13610.3924-75.985522.182663.5684
571.94412.48781.45614.42822.67853.10750.0468-0.24550.6207-0.4725-0.31810.6798-0.314-0.5730.15540.3719-0.0097-0.00970.50280.03870.5269-86.318425.549666.6693
584.33511.4712-0.54073.48380.34593.8527-0.00490.14050.97250.03620.46660.6622-0.6635-0.0224-0.4840.40890.07380.01680.5254-0.01360.6568-82.156324.645564.0498
591.96730.61040.870.884-0.50390.6937-0.16950.2307-0.3706-0.23720.1638-0.14550.05540.12390.00710.48910.0295-0.00290.5345-0.13960.4751-74.223116.858457.8694
602.5846-0.74912.30214.254-0.54175.3629-0.23090.37330.13740.00360.3222-0.19030.68260.3601-0.19550.52630.05560.12230.8472-0.20540.4143-76.00328.222745.1851
610.3235-0.2683-0.52190.44741.25493.7426-0.05930.3902-0.47210.1715-0.1378-0.34431.2842-0.27240.1820.79070.35850.07680.8837-0.0660.9904-54.3923-10.23557.8599
624.6877-0.153-0.49493.6403-0.21084.24010.2146-0.6668-0.6940.50970.0175-0.3440.5363-0.1354-0.30960.9113-0.0332-0.28760.62140.02670.5928-64.9788-7.044489.9536
632.55021.0138-1.08743.75460.26762.83480.1301-0.3048-0.28910.2860.0449-0.3880.12550.3787-0.16540.61580.0663-0.20410.5459-0.1140.5457-58.71412.682584.5554
641.86560.67942.1862.7718-1.04715.26120.17290.48150.04980.0723-0.0719-0.29880.8087-0.1373-0.13410.43620.0447-0.08220.4392-0.05860.5219-71.80783.111976.218
651.4415-0.7162.35341.6573-2.56955.41490.48640.0497-0.68950.11190.2043-0.19650.43280.5968-0.57710.7476-0.0799-0.0740.4914-0.08040.521-77.3976-0.837574.4061
660.90880.96410.47241.21050.41883.00390.2390.00680.00480.13880.1467-0.16610.41360.153-0.29690.44820.1056-0.1550.4982-0.10040.6617-63.85756.666276.1193
673.2174-0.0436-1.0655.4996-0.14794.4865-0.3795-0.9506-0.28780.19930.3711-0.87510.6040.22490.07050.42220.0655-0.14770.7348-0.06690.659-48.35340.962282.4974
685.1662-4.94161.72274.9568-1.58672.4302-0.8091-1.29510.04480.0240.5131-0.4107-0.8249-0.82350.13820.4018-0.1611-0.1291.0219-0.06361.1059-37.774330.012880.8081
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'L' and (resid 29 through 65 )L29 - 65
2X-RAY DIFFRACTION2chain 'L' and (resid 66 through 106 )L66 - 106
3X-RAY DIFFRACTION3chain 'L' and (resid 107 through 144 )L107 - 144
4X-RAY DIFFRACTION4chain 'L' and (resid 145 through 156 )L145 - 156
5X-RAY DIFFRACTION5chain 'L' and (resid 157 through 219 )L157 - 219
6X-RAY DIFFRACTION6chain 'A' and (resid 6 through 28 )A6 - 28
7X-RAY DIFFRACTION7chain 'A' and (resid 29 through 85 )A29 - 85
8X-RAY DIFFRACTION8chain 'A' and (resid 86 through 174 )A86 - 174
9X-RAY DIFFRACTION9chain 'A' and (resid 175 through 219 )A175 - 219
10X-RAY DIFFRACTION10chain 'B' and (resid 7 through 28 )B7 - 28
11X-RAY DIFFRACTION11chain 'B' and (resid 29 through 85 )B29 - 85
12X-RAY DIFFRACTION12chain 'B' and (resid 86 through 192 )B86 - 192
13X-RAY DIFFRACTION13chain 'B' and (resid 193 through 219 )B193 - 219
14X-RAY DIFFRACTION14chain 'C' and (resid 4 through 28 )C4 - 28
15X-RAY DIFFRACTION15chain 'C' and (resid 29 through 65 )C29 - 65
16X-RAY DIFFRACTION16chain 'C' and (resid 66 through 106 )C66 - 106
17X-RAY DIFFRACTION17chain 'C' and (resid 107 through 134 )C107 - 134
18X-RAY DIFFRACTION18chain 'C' and (resid 135 through 174 )C135 - 174
19X-RAY DIFFRACTION19chain 'C' and (resid 175 through 219 )C175 - 219
20X-RAY DIFFRACTION20chain 'D' and (resid 6 through 28 )D6 - 28
21X-RAY DIFFRACTION21chain 'D' and (resid 29 through 50 )D29 - 50
22X-RAY DIFFRACTION22chain 'D' and (resid 51 through 65 )D51 - 65
23X-RAY DIFFRACTION23chain 'D' and (resid 66 through 106 )D66 - 106
24X-RAY DIFFRACTION24chain 'D' and (resid 107 through 174 )D107 - 174
25X-RAY DIFFRACTION25chain 'D' and (resid 175 through 219 )D175 - 219
26X-RAY DIFFRACTION26chain 'E' and (resid 7 through 28 )E7 - 28
27X-RAY DIFFRACTION27chain 'E' and (resid 29 through 106 )E29 - 106
28X-RAY DIFFRACTION28chain 'E' and (resid 107 through 192 )E107 - 192
29X-RAY DIFFRACTION29chain 'E' and (resid 193 through 219 )E193 - 219
30X-RAY DIFFRACTION30chain 'F' and (resid 4 through 28 )F4 - 28
31X-RAY DIFFRACTION31chain 'F' and (resid 29 through 106 )F29 - 106
32X-RAY DIFFRACTION32chain 'F' and (resid 107 through 144 )F107 - 144
33X-RAY DIFFRACTION33chain 'F' and (resid 145 through 174 )F145 - 174
34X-RAY DIFFRACTION34chain 'F' and (resid 175 through 219 )F175 - 219
35X-RAY DIFFRACTION35chain 'G' and (resid 7 through 28 )G7 - 28
36X-RAY DIFFRACTION36chain 'G' and (resid 29 through 85 )G29 - 85
37X-RAY DIFFRACTION37chain 'G' and (resid 86 through 192 )G86 - 192
38X-RAY DIFFRACTION38chain 'G' and (resid 193 through 219 )G193 - 219
39X-RAY DIFFRACTION39chain 'H' and (resid 8 through 28 )H8 - 28
40X-RAY DIFFRACTION40chain 'H' and (resid 29 through 106 )H29 - 106
41X-RAY DIFFRACTION41chain 'H' and (resid 107 through 134 )H107 - 134
42X-RAY DIFFRACTION42chain 'H' and (resid 135 through 147 )H135 - 147
43X-RAY DIFFRACTION43chain 'H' and (resid 148 through 174 )H148 - 174
44X-RAY DIFFRACTION44chain 'H' and (resid 175 through 192 )H175 - 192
45X-RAY DIFFRACTION45chain 'H' and (resid 193 through 219 )H193 - 219
46X-RAY DIFFRACTION46chain 'I' and (resid 6 through 28 )I6 - 28
47X-RAY DIFFRACTION47chain 'I' and (resid 29 through 65 )I29 - 65
48X-RAY DIFFRACTION48chain 'I' and (resid 66 through 106 )I66 - 106
49X-RAY DIFFRACTION49chain 'I' and (resid 107 through 144 )I107 - 144
50X-RAY DIFFRACTION50chain 'I' and (resid 145 through 174 )I145 - 174
51X-RAY DIFFRACTION51chain 'I' and (resid 175 through 192 )I175 - 192
52X-RAY DIFFRACTION52chain 'I' and (resid 193 through 219 )I193 - 219
53X-RAY DIFFRACTION53chain 'J' and (resid 7 through 28 )J7 - 28
54X-RAY DIFFRACTION54chain 'J' and (resid 29 through 65 )J29 - 65
55X-RAY DIFFRACTION55chain 'J' and (resid 66 through 106 )J66 - 106
56X-RAY DIFFRACTION56chain 'J' and (resid 107 through 118 )J107 - 118
57X-RAY DIFFRACTION57chain 'J' and (resid 119 through 147 )J119 - 147
58X-RAY DIFFRACTION58chain 'J' and (resid 148 through 164 )J148 - 164
59X-RAY DIFFRACTION59chain 'J' and (resid 165 through 192 )J165 - 192
60X-RAY DIFFRACTION60chain 'J' and (resid 193 through 219 )J193 - 219
61X-RAY DIFFRACTION61chain 'K' and (resid 8 through 28 )K8 - 28
62X-RAY DIFFRACTION62chain 'K' and (resid 29 through 65 )K29 - 65
63X-RAY DIFFRACTION63chain 'K' and (resid 66 through 106 )K66 - 106
64X-RAY DIFFRACTION64chain 'K' and (resid 107 through 134 )K107 - 134
65X-RAY DIFFRACTION65chain 'K' and (resid 135 through 156 )K135 - 156
66X-RAY DIFFRACTION66chain 'K' and (resid 157 through 192 )K157 - 192
67X-RAY DIFFRACTION67chain 'K' and (resid 193 through 219 )K193 - 219
68X-RAY DIFFRACTION68chain 'L' and (resid 6 through 28 )L6 - 28

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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