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- PDB-6et9: Structure of the acetoacetyl-CoA-thiolase/HMG-CoA-synthase comple... -

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基本情報

登録情報
データベース: PDB / ID: 6et9
タイトルStructure of the acetoacetyl-CoA-thiolase/HMG-CoA-synthase complex from Methanothermococcus thermolithotrophicus at 2.75 A
要素
  • Acetyl-CoA acetyltransferase thiolase
  • HydroxyMethylGlutaryl-CoA synthase
  • Pfam DUF35
キーワードTRANSFERASE / Isoprenoid synthesis / enzymatic channeling / mevalonate production / archaea / lipid biosynthesis / multi-enzymatic complex / scaffold protein / DUF35 family
機能・相同性
機能・相同性情報


acetyl-CoA C-acetyltransferase / acetyl-CoA C-acetyltransferase activity / acyltransferase activity
類似検索 - 分子機能
Putative condensing enzyme FabH-related / Domain of unknown function DUF35, OB-fold, C-terminal / DUF35 OB-fold domain, acyl-CoA-associated / Domain of unknown function DUF35, rubredoxin-like zinc ribbon domain, N-terminal / Rubredoxin-like zinc ribbon domain (DUF35_N) / Hydroxymethylglutaryl-coenzyme A synthase, N-terminal / Hydroxymethylglutaryl-coenzyme A synthase N terminal / 3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III, C-terminal / 3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III C terminal / Thiolase ...Putative condensing enzyme FabH-related / Domain of unknown function DUF35, OB-fold, C-terminal / DUF35 OB-fold domain, acyl-CoA-associated / Domain of unknown function DUF35, rubredoxin-like zinc ribbon domain, N-terminal / Rubredoxin-like zinc ribbon domain (DUF35_N) / Hydroxymethylglutaryl-coenzyme A synthase, N-terminal / Hydroxymethylglutaryl-coenzyme A synthase N terminal / 3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III, C-terminal / 3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III C terminal / Thiolase / Thiolase, C-terminal / Thiolase, C-terminal domain / Thiolase, N-terminal / Thiolase, N-terminal domain / Thiolase-like / Nucleic acid-binding, OB-fold
類似検索 - ドメイン・相同性
: / Acetyl-CoA acetyltransferase thiolase / Pfam DUF35 / UPF0219 protein
類似検索 - 構成要素
生物種Methanothermococcus thermolithotrophicus (古細菌)
手法X線回折 / シンクロトロン / 解像度: 2.75 Å
データ登録者Engilberge, S. / Voegeli, B. / Girard, E. / Riobe, F. / Maury, O. / Erb, T.J. / Shima, S. / Wagner, T.
引用ジャーナル: Proc. Natl. Acad. Sci. U.S.A. / : 2018
タイトル: Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site.
著者: Vogeli, B. / Engilberge, S. / Girard, E. / Riobe, F. / Maury, O. / Erb, T.J. / Shima, S. / Wagner, T.
履歴
登録2017年10月25日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02018年3月14日Provider: repository / タイプ: Initial release
改定 1.12018年3月21日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.journal_abbrev / _citation.pdbx_database_id_PubMed ..._citation.journal_abbrev / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
改定 1.22018年4月11日Group: Data collection / Database references / カテゴリ: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
改定 1.32024年5月8日Group: Data collection / Database references / Derived calculations
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr1_symmetry / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn.ptnr2_symmetry

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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: Acetyl-CoA acetyltransferase thiolase
B: Acetyl-CoA acetyltransferase thiolase
C: Acetyl-CoA acetyltransferase thiolase
D: Acetyl-CoA acetyltransferase thiolase
E: Pfam DUF35
F: Pfam DUF35
G: Pfam DUF35
H: Pfam DUF35
I: HydroxyMethylGlutaryl-CoA synthase
J: HydroxyMethylGlutaryl-CoA synthase
K: HydroxyMethylGlutaryl-CoA synthase
L: HydroxyMethylGlutaryl-CoA synthase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)380,27451
ポリマ-377,49712
非ポリマー2,77739
8,431468
1


  • 登録構造と同一
  • 登録者・ソフトウェアが定義した集合体
  • 根拠: gel filtration
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area57540 Å2
ΔGint-277 kcal/mol
Surface area101590 Å2
手法PISA
単位格子
Length a, b, c (Å)106.617, 144.014, 230.585
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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要素

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タンパク質 , 3種, 12分子 ABCDEFGHIJKL

#1: タンパク質
Acetyl-CoA acetyltransferase thiolase


分子量: 41943.410 Da / 分子数: 4 / 由来タイプ: 天然
詳細: The side chain of Phe57 from chain A, B, C and D has been omitted in the model. The catalytic cysteine 85 is partially acetylated.
由来: (天然) Methanothermococcus thermolithotrophicus (古細菌)
細胞株: / / 器官: / / Variant: wild-type / : DSM 2095, strain SN-1 / 組織: /
参照: UniProt: A0A384E138*PLUS, acetyl-CoA C-acetyltransferase
#2: タンパク質
Pfam DUF35


分子量: 14910.377 Da / 分子数: 4 / 由来タイプ: 天然
由来: (天然) Methanothermococcus thermolithotrophicus (古細菌)
細胞株: / / 器官: / / Variant: / / : DSM 2095, strain SN-1 / 組織: / / 参照: UniProt: A0A384E139*PLUS
#3: タンパク質
HydroxyMethylGlutaryl-CoA synthase


分子量: 37520.570 Da / 分子数: 4 / 由来タイプ: 天然 / 詳細: The catalytic cysteine 114 is partially acetylated.
由来: (天然) Methanothermococcus thermolithotrophicus (古細菌)
細胞株: / / 器官: / / Variant: / / : DSM 2095, strain SN-1 / 組織: /
参照: UniProt: A0A384E143*PLUS, hydroxymethylglutaryl-CoA synthase

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非ポリマー , 8種, 507分子

#4: 化合物 ChemComp-NA / SODIUM ION / ナトリウムカチオン


分子量: 22.990 Da / 分子数: 3 / 由来タイプ: 合成 / : Na
#5: 化合物
ChemComp-TRS / 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / TRIS BUFFER / トリス(ヒドロキシメチル)メチルアンモニウム


分子量: 122.143 Da / 分子数: 11 / 由来タイプ: 合成 / : C4H12NO3 / コメント: pH緩衝剤*YM
#6: 化合物
ChemComp-K / POTASSIUM ION / カリウムカチオン


分子量: 39.098 Da / 分子数: 8 / 由来タイプ: 合成 / : K
#7: 化合物
ChemComp-CL / CHLORIDE ION / クロリド


分子量: 35.453 Da / 分子数: 6 / 由来タイプ: 合成 / : Cl
#8: 化合物 ChemComp-MG / MAGNESIUM ION / マグネシウムジカチオン


分子量: 24.305 Da / 分子数: 1 / 由来タイプ: 合成 / : Mg
#9: 化合物
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / グリセロ-ル


分子量: 92.094 Da / 分子数: 6 / 由来タイプ: 天然 / : C3H8O3
#10: 化合物
ChemComp-ZN / ZINC ION


分子量: 65.409 Da / 分子数: 4 / 由来タイプ: 合成 / : Zn
#11: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 468 / 由来タイプ: 天然 / : H2O

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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: 2.3 Å3/Da / 溶媒含有率: 46.53 %
解説: Transparent square crystal of about 100 micron cube.
結晶化温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 8.5
詳細: Crystallization was done under air using the sitting drop method (in a 24-well junior clover plate from Jena Bioscience). The crystallization reservoir contained 100 mM Tris/HCl pH 8.0, 25- ...詳細: Crystallization was done under air using the sitting drop method (in a 24-well junior clover plate from Jena Bioscience). The crystallization reservoir contained 100 mM Tris/HCl pH 8.0, 25-28% v/v pentaerythritol ethoxylate (15/4 EO/OH, average Molecular weight, about 797 Da) and 50 mM MgCl2. Crystallization drop contained 1 to 2 ul of the purified fraction containing Thiolase/HMGCS complex at 50-60 mg/ml (pure at 60%) with 10 mM Tb-Xo4 mixed with 1 ul of precipitant.
PH範囲: 8.0 - 9.0

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データ収集

回折平均測定温度: 100 K
放射光源由来: シンクロトロン / サイト: ESRF / ビームライン: ID29 / 波長: 1.38546 Å
検出器タイプ: DECTRIS PILATUS 6M-F / 検出器: PIXEL / 日付: 2016年2月27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: 1.38546 Å / 相対比: 1
反射解像度: 2.75→48.9 Å / Num. obs: 92965 / % possible obs: 100 % / 冗長度: 13.4 % / Biso Wilson estimate: 56.34 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.279 / Rpim(I) all: 0.079 / Net I/σ(I): 8.6
反射 シェル解像度: 2.75→2.9 Å / 冗長度: 13.3 % / Rmerge(I) obs: 1.249 / Mean I/σ(I) obs: 2.1 / Num. unique obs: 13426 / CC1/2: 0.324 / Rpim(I) all: 0.354 / % possible all: 100

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解析

ソフトウェア
名称バージョン分類
PHENIX(1.10.1_2155: ???)精密化
XDSデータ削減
SCALA3.3.22データスケーリング
PHASER位相決定
精密化解像度: 2.75→48.387 Å / SU ML: 0.34 / 交差検証法: THROUGHOUT / σ(F): 1.34 / 位相誤差: 20.98
詳細: Four molecules of Tb-Xo4 are present at low occupancy and might be replaced by Tris buffer molecule from the crystallization solution. That is why only Tris molecules have been modeled.
Rfactor反射数%反射Selection details
Rfree0.2247 4636 4.99 %RANDOM
Rwork0.1903 ---
obs0.1919 92874 99.98 %-
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å
原子変位パラメータBiso mean: 52.62 Å2
精密化ステップサイクル: LAST / 解像度: 2.75→48.387 Å
タンパク質核酸リガンド溶媒全体
原子数26314 0 146 468 26928
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00826932
X-RAY DIFFRACTIONf_angle_d0.82536413
X-RAY DIFFRACTIONf_dihedral_angle_d14.61816073
X-RAY DIFFRACTIONf_chiral_restr0.0524043
X-RAY DIFFRACTIONf_plane_restr0.0054684
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.75-2.78120.33891460.32112941X-RAY DIFFRACTION100
2.7812-2.8140.34841620.31462889X-RAY DIFFRACTION100
2.814-2.84830.32631410.30352899X-RAY DIFFRACTION100
2.8483-2.88430.33841690.29642933X-RAY DIFFRACTION100
2.8843-2.92230.33971520.28832885X-RAY DIFFRACTION100
2.9223-2.96230.30111410.27722923X-RAY DIFFRACTION100
2.9623-3.00460.30821560.25932882X-RAY DIFFRACTION100
3.0046-3.04950.29421510.2622938X-RAY DIFFRACTION100
3.0495-3.09710.27961490.25032889X-RAY DIFFRACTION100
3.0971-3.14790.31811480.25232941X-RAY DIFFRACTION100
3.1479-3.20210.2651550.23862931X-RAY DIFFRACTION100
3.2021-3.26040.25181540.23292897X-RAY DIFFRACTION100
3.2604-3.3230.24211600.21932913X-RAY DIFFRACTION100
3.323-3.39090.25021630.21682903X-RAY DIFFRACTION100
3.3909-3.46460.22941620.20422903X-RAY DIFFRACTION100
3.4646-3.54510.23221710.2022892X-RAY DIFFRACTION100
3.5451-3.63380.22791640.1862916X-RAY DIFFRACTION100
3.6338-3.7320.20731530.17722958X-RAY DIFFRACTION100
3.732-3.84180.2021770.17022909X-RAY DIFFRACTION100
3.8418-3.96570.20381630.16072914X-RAY DIFFRACTION100
3.9657-4.10740.17231540.14852956X-RAY DIFFRACTION100
4.1074-4.27170.15881570.13912937X-RAY DIFFRACTION100
4.2717-4.4660.16071460.13282953X-RAY DIFFRACTION100
4.466-4.70130.15561610.13142942X-RAY DIFFRACTION100
4.7013-4.99560.1771530.13272972X-RAY DIFFRACTION100
4.9956-5.38080.20581150.14923002X-RAY DIFFRACTION100
5.3808-5.92140.21531680.16072984X-RAY DIFFRACTION100
5.9214-6.77630.21341460.17473006X-RAY DIFFRACTION100
6.7763-8.52980.18641500.1583059X-RAY DIFFRACTION100
8.5298-48.3940.23661490.20753171X-RAY DIFFRACTION100
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)
11.56280.8691-1.00021.6494-1.87082.09030.3812-0.1304-0.18350.5174-0.3548-0.3126-1.35851.1707-0.0460.93870.01610.08851.0411-0.09950.552394.191524.991513.6792
22.28310.7248-0.98961.78360.17162.51230.191-0.0243-0.07380.14020.0683-0.33410.11080.496-0.32320.6579-0.010.22940.7781-0.05260.624287.86734.930313.4472
32.46271.4175-1.40960.2878-0.76481.19830.4289-0.23820.29210.0680.01410.0013-0.00960.8316-0.25490.65090.05420.18010.6496-0.11360.532678.005826.053716.685
41.84190.2738-0.72070.8203-0.33092.6267-0.1233-0.0439-0.5488-0.20080.0768-0.48410.50540.62850.10880.71090.20870.09860.6575-0.12150.645882.90549.048117.5285
52.44020.7901-1.53211.7098-0.24531.8897-0.14620.488-0.5824-0.30820.0146-0.0920.66470.27450.02680.7920.10440.08730.736-0.1660.477376.56538.37478.2158
61.15760.2951-0.50992.0385-0.44661.7744-0.06410.6041-0.4343-0.31630.1038-0.48570.52970.58690.02980.74440.18780.19950.9415-0.16220.58287.976913.375.524
71.38160.24481.31052.1453-0.21782.02440.08910.205-0.1769-0.2223-0.0362-0.16160.11430.235-0.08810.43890.0418-0.03780.40740.03630.353176.693136.6649104.8945
81.388-1.06482.06870.7703-1.39782.33740.46290.3166-0.6109-0.272-0.2503-0.05450.99150.4731-0.08580.7730.0602-0.12550.4199-0.03960.464766.526145.932484.3118
91.8393-0.9630.94941.0189-1.33222.0981-0.35420.03050.5510.2468-0.0496-0.2311-0.60870.40010.3830.6172-0.0871-0.12180.48160.07380.445970.761865.345993.05
102.1474-1.49921.12022.2447-1.53442.8079-0.08870.68620.5105-0.0107-0.4648-0.5798-0.50731.05590.52790.6584-0.1578-0.13560.75670.20910.638481.453762.123389.7134
111.9457-1.08160.77142.2016-0.45780.68490.0253-0.0649-0.14580.00080.11110.1289-0.03230.06530.09880.382-0.0966-0.08710.41760.03140.381779.433445.7588111.0021
122.3548-0.17551.54431.989-0.68373.0641-0.1707-0.26940.40420.17480.04630.0771-0.6171-0.07960.15760.51370.0538-0.02060.3912-0.01980.361764.899959.4199105.3215
133.2463-0.23961.33515.07211.52515.437-0.6207-0.58340.78180.22240.32690.1581-1.17660.15240.42630.79880.0767-0.16980.59840.03610.50176.526663.9979106.6081
142.4226-0.59391.27812.2223-1.35112.3079-0.1839-0.07270.42530.2827-0.0617-0.1196-0.32240.16430.20270.4632-0.0027-0.06320.39090.02830.307276.991853.3802110.7237
151.53240.14991.07852.76822.04993.601-0.07710.2433-0.31430.0325-0.64380.53670.4535-1.3540.21630.7171-0.1610.11110.908-0.1220.389761.461640.48678.677
162.00410.1637-0.64462.75220.47212.694-0.03960.0328-0.0463-0.22470.043-0.093-0.2479-0.22780.13180.594-0.01670.03140.6110.00120.413667.525130.673110.7635
171.16220.44760.28911.69711.42872.83270.0262-0.01180.1246-0.3111-0.14080.0672-0.4339-0.11250.08860.6195-0.04730.08380.65080.08980.434973.01650.855214.979
181.67190.46870.85891.31110.38612.9019-0.01030.18130.1155-0.67920.0993-0.3088-0.47440.5033-0.05370.8193-0.17040.23710.84390.0430.503983.538851.83085.9783
191.03470.1612-1.3195.587-1.18961.8963-0.26770.54960.628-0.49860.2149-0.6966-1.09890.1190.13431.1626-0.07360.12770.80060.15210.584877.59164.35577.3158
201.7792-0.2432-0.65371.92370.73922.46630.03030.30550.3314-0.7871-0.0907-0.1131-0.7844-0.24250.16760.8756-0.00120.03930.69850.07840.366469.453351.75123.3483
212.60870.23810.01112.196-0.59160.78250.11440.26560.1331-0.3082-0.0479-0.0484-0.0226-0.208100.46950.07160.01610.36590.03990.328253.260135.7471101.7379
222.0132-1.2908-1.08891.09330.41150.45250.94930.62560.8163-0.1288-0.6887-0.1872-0.39280.0318-0.00070.73710.16880.17270.66970.18880.609168.470324.959385.5499
232.1829-0.8069-0.39211.304-0.16062.1762-0.08790.4131-0.34870.02-0.01090.12930.3676-0.12940.03340.528-0.0118-0.02170.4689-0.00310.393457.77057.417991.7634
242.1879-0.5444-0.47761.73060.22041.49640.082-0.1164-0.0571-0.0192-0.0722-0.0607-0.05750.12240.030.40960.01220.00280.33430.09350.278658.072723.4855106.3054
253.04980.5655-0.62512.18060.47692.6569-0.0105-0.1411-0.25610.1632-0.0056-0.36790.36690.00050.01240.47810.0359-0.04490.39410.06670.366661.386315.1306111.1502
262.8776-0.6852-0.66922.04640.22612.4374-0.0906-0.0961-0.56320.1939-0.06250.11930.5237-0.37980.03390.5528-0.035-0.00120.42390.09580.45856.20966.4185104.1733
272.0713-0.005-0.59271.67750.74851.47970.033-0.0914-0.30350.2778-0.1116-0.07330.0734-0.32470.04520.3691-0.01030.0010.40560.06980.24251.240919.835107.9308
280.2778-0.5204-0.46411.08081.14314.4403-0.2291-0.21660.03540.66690.4658-0.4409-0.92750.5606-0.04270.8740.1327-0.08071.01520.08650.744491.225423.347894.4415
292.11050.4292-0.21281.58580.52153.4548-0.04850.25620.0021-0.09030.05960.05670.16570.1943-0.02620.43090.15350.04570.68880.0980.40679.540512.828380.4279
300.6707-0.0846-0.60223.15731.05546.0530.12720.41060.0486-0.811-0.03680.1858-1.40860.08880.05460.71790.0282-0.06730.6472-0.00520.495550.725327.15223.0341
311.8594-0.2621-0.05462.07020.17393.33880.03580.55840.3171-0.7165-0.05240.4494-0.2992-0.17480.02690.6797-0.0379-0.07360.4675-0.08930.613351.463320.007917.9422
321.859-0.29260.14472.11160.0483.66320.0313-0.276-0.13890.165-0.0481-0.14170.20720.2301-0.00030.54130.01760.00410.4033-0.04460.385260.66911.789232.818
332.39530.51350.94396.11912.26424.85750.1808-0.2633-0.34540.2369-0.1395-0.5950.28640.049-0.04580.38510.00240.02860.48430.01710.354856.23520.929137.3977
340.7709-0.40640.78746.121-2.61054.58780.3172-0.9141-0.17610.2792-0.3304-0.36162.29010.1846-0.02531.0016-0.00060.05440.80440.03820.44148.394241.75277.7393
352.38841.8285-1.78782.1895-2.90694.28021.0267-0.58040.48790.60090.4558-0.0619-0.338-1.1104-0.15150.8350.12940.06760.67650.02010.426739.090951.145685.5667
360.2342-0.4491-0.05861.4893-2.06713.67620.0197-0.3343-0.32240.36830.50760.86870.6256-0.4071-0.04430.77760.16420.08380.63340.11840.688639.511650.056591.6032
371.77310.0307-0.61831.96440.33363.778-0.0422-00.48140.6752-0.3008-0.902-1.18130.1077-0.58410.8170.19780.02830.3306-0.1731-0.055356.287463.818481.5366
382.26840.92871.66563.59191.72147.5147-0.56110.1279-0.3057-0.548-0.4453-0.82250.64410.6080.04090.6050.13630.10480.78880.03740.811468.687553.522172.5111
391.9601-1.05210.1271.99290.68573.1810.00130.64040.5096-0.1050.0651-0.042-0.2774-0.1021-0.00970.48390.069-0.06320.40560.02580.274355.002562.372778.9813
402.0838-1.128-0.69776.11311.69823.33630.04420.2862-0.0830.4180.071-0.45780.13590.28860.00430.40190.0829-0.06190.5026-0.07240.305754.524451.33871.2512
410.1222-0.33630.16522.17910.59663.0260.14030.5179-0.4177-1.0099-0.8067-0.56741.13720.58590.13520.87880.06930.24291.15290.0390.643698.358337.603233.1579
421.95591.1585-0.40722.6089-0.70743.73910.06560.8529-0.6464-0.43720.3037-1.53850.39150.80810.14041.0607-0.13360.29761.548-0.09550.9931104.612841.151718.2537
432.2271-0.75420.27162.572-1.16443.01230.2205-0.2203-0.4084-0.6084-0.0395-0.5802-0.20341.0050.08560.6826-0.07050.23671.00290.09160.8051100.272150.482729.2426
440.382-0.37621.17131.7827-2.27194.7622-0.05740.15820.15960.2398-0.47251.14-0.039-0.1432-0.24150.5960.1730.14781.04390.11230.654178.089951.760239.9765
452.17530.4988-0.49680.8505-0.51072.0156-0.28840.35010.08520.65740.18380.6116-0.81870.8131-0.78020.4588-0.0820.62851.15980.3062-0.487591.944854.943531.4012
469.00821.0544-3.49562.9392-1.03544.6822-0.2951-0.3639-0.0721-0.0066-0.0319-0.46460.14560.49260.04030.4525-0.14970.10740.94920.15670.483198.217751.71129.3497
472.13381.0626-0.17343.7421-3.32433.4454-0.0667-0.35441.15150.2008-0.17220.3606-1.07680.0979-0.11740.9258-0.07750.11980.93120.11370.746590.807562.885137.1442
483.12712.3843-1.11276.4217-2.7855.71290.34250.3144-0.40220.8872-0.2022-0.65260.10460.51350.06040.52340.10710.09620.970.12760.431593.03648.47641.1627
492.91741.3362-1.07355.1277-1.64044.26570.02130.06620.24120.30990.33590.4902-0.25080.2811-0.05320.38740.00780.04171.02290.04930.47290.292945.519941.4864
502.9196-0.0471-0.73980.5611-0.0871.04640.03270.18730.3926-0.06420.00430.0535-0.30950.04650.04810.40970.0189-0.0430.32980.00290.365654.345858.202653.6089
512.55820.18431.31712.2478-0.18631.9981-0.1081-0.3427-0.1050.10140.05440.05020.0254-0.1543-0.01340.330.0227-0.00920.3597-0.0120.31341.234842.825858.5919
523.81290.9361-0.64351.109-0.45331.3832-0.73150.07490.2327-0.29270.41490.07480.1396-0.04950.00870.42210.0445-0.01940.42740.04140.237949.870448.896852.3855
537.56010.3757-0.10552.7226-0.37522.6331-0.0484-0.0363-0.33460.46450.0880.4532-0.2571-0.63610.05090.50740.12880.00120.43570.06340.36931.605253.234555.4189
541.87830.2587-0.2671.86630.16291.7831-0.08170.3574-0.06290.0387-0.0685-0.16550.16730.3001-0.00240.4836-0.03960.00620.44660.01040.346947.013341.926641.8296
552.83790.62310.62981.81540.28652.09620.14590.3082-0.2156-0.33-0.0735-0.01410.01850.11780.0210.55930.0093-0.05190.4680.05470.445445.99550.637836.3182
564.2424-0.22662.83833.6564-0.9233.53520.22470.56670.3345-0.1691-0.18370.1667-0.0093-0.1190.0730.619-0.0519-0.01840.53830.07830.337645.995161.0234.4087
572.46750.35290.99520.6964-0.04842.4176-0.24690.03230.5091-0.14380.01860.0556-0.3289-0.09540.07110.45030.03220.00010.35750.00910.386942.346456.867245.3169
584.4478-0.08690.63781.86210.27171.8327-0.1517-0.31490.5247-0.02360.01270.096-0.2922-0.16610.08350.40630.03930.01960.404-0.01030.277352.372760.691757.4223
592.57950.76340.70131.76450.31781.1550.0292-0.2049-0.15070.0208-0.1259-0.18340.16810.33720.06080.36770.16840.06750.79450.07240.399895.342617.962663.2547
602.6982-0.2086-0.21821.3595-1.46951.54580.06090.33740.0978-0.3744-0.07990.04310.26230.19680.10720.57080.19990.08841.0085-0.05820.5953100.434519.808546.6371
613.0190.3014-0.80440.96220.14361.1095-0.1211-0.0751-0.5863-0.1562-0.0004-0.29020.27540.420.06750.46670.23560.04550.78820.03780.565397.17059.374756.8602
622.575-0.55911.44831.1303-1.02582.73730.0729-0.0107-0.4703-0.08920.00560.15970.44320.0818-0.03410.40950.00990.03240.3198-0.03080.363649.549614.863253.9728
631.1091-0.6452-0.29242.3045-0.65081.7470.03770.24140.0209-0.175-0.03390.1446-0.0248-0.15080.01010.3261-0.04530.0210.399-0.0110.294841.375629.29148.114
641.50550.46220.5691.58330.30361.62510.3573-0.3244-0.34380.1552-0.0049-0.2823-0.14050.18620.01190.39980.06960.01390.5774-0.07220.467442.835432.658763.7287
653.2724-0.90620.13632.4794-0.57011.5775-0.0926-0.6270.17830.34470.00440.0401-0.00290.0402-0.02150.4489-0.02170.09490.65110.05070.39538.415124.535668.4563
665.6536-0.2241-2.30273.5817-0.59022.53140.1567-1.0403-0.78130.3291-0.0060.0884-0.1684-0.7742-0.06780.441-0.09630.02850.52950.13860.538635.724714.457969.8978
672.678-0.39050.21892.0855-1.05783.5845-0.0833-0.2235-0.40870.22960.03560.37520.2073-0.3524-0.02520.3261-0.07760.01210.43410.00730.35436.309118.962758.5806
684.5052-0.29390.80961.07560.14432.1394-0.1210.0323-0.5303-0.19480.1080.2160.3801-0.1101-0.03250.5235-0.0162-0.01760.344-0.02250.360348.356612.726549.6544
692.6589-0.93810.08751.7954-0.27591.39810.05670.25730.4703-0.031-0.1257-0.3286-0.20180.37440.13750.375-0.09110.05860.66140.04390.445193.324153.872758.7953
702.9296-0.5758-0.35483.66510.80621.88890.11040.5065-0.0428-0.8998-0.37630.25430.31231.0719-0.00230.24330.1370.17721.21610.09710.3605100.848136.827750.5253
711.793-1.47440.79442.3998-0.18140.3981-0.02830.3688-0.042-0.0166-0.1561-0.1624-0.0290.46430.04360.3319-0.01640.03380.88540.05530.4223100.972539.787159.2652
722.34260.2150.57892.84960.2191.3905-0.03890.31240.40490.00730.0653-0.77730.52690.99670.06460.39610.0039-0.0951.34440.17170.8823116.174141.29364.9103
733.1113-0.19591.431.6011-1.05551.1122-0.0242-0.79490.4292-0.0613-0.13250.406-0.9781-0.320.04830.7832-0.07020.02221.0748-0.03980.690685.817638.717772.7492
741.2911-0.61930.3122.7220.12592.51760.2641-0.43380.12880.0815-0.5542-0.2879-0.02240.23140.11130.4794-0.027-0.1451.15810.02870.5767105.354641.957179.6689
754.9658-1.54780.85042.5849-1.13752.6321-0.4511-0.72980.61820.2550.227-0.6543-0.35180.50570.2270.4928-0.0725-0.05521.0376-0.0950.6732107.865451.13574.9153
763.836-0.39383.01532.97790.17872.7734-0.1349-0.97870.76520.4871-0.17250.0467-0.2915-0.01810.19490.6407-0.1534-0.04890.9213-0.12480.7204102.201955.472277.9156
773.0211-0.57770.08972.0101-0.02331.31210.0558-0.26230.34160.1837-0.3087-0.4093-0.26080.43120.14810.3343-0.10360.01150.90340.04080.5824104.753350.17467.1942
784.7021-0.85390.46921.31990.2051.89270.23450.58180.37760.0221-0.4-0.5173-0.15590.58960.15180.4376-0.08360.04340.69840.19530.552495.812455.772254.8171
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 37 )
2X-RAY DIFFRACTION2chain 'A' and (resid 38 through 83 )
3X-RAY DIFFRACTION3chain 'A' and (resid 84 through 140 )
4X-RAY DIFFRACTION4chain 'A' and (resid 141 through 234 )
5X-RAY DIFFRACTION5chain 'A' and (resid 235 through 337 )
6X-RAY DIFFRACTION6chain 'A' and (resid 338 through 392 )
7X-RAY DIFFRACTION7chain 'B' and (resid 1 through 113 )
8X-RAY DIFFRACTION8chain 'B' and (resid 114 through 140 )
9X-RAY DIFFRACTION9chain 'B' and (resid 141 through 176 )
10X-RAY DIFFRACTION10chain 'B' and (resid 177 through 202 )
11X-RAY DIFFRACTION11chain 'B' and (resid 203 through 234 )
12X-RAY DIFFRACTION12chain 'B' and (resid 235 through 313 )
13X-RAY DIFFRACTION13chain 'B' and (resid 314 through 337 )
14X-RAY DIFFRACTION14chain 'B' and (resid 338 through 392 )
15X-RAY DIFFRACTION15chain 'C' and (resid 1 through 37 )
16X-RAY DIFFRACTION16chain 'C' and (resid 38 through 83 )
17X-RAY DIFFRACTION17chain 'C' and (resid 84 through 234 )
18X-RAY DIFFRACTION18chain 'C' and (resid 235 through 288 )
19X-RAY DIFFRACTION19chain 'C' and (resid 289 through 329 )
20X-RAY DIFFRACTION20chain 'C' and (resid 330 through 392 )
21X-RAY DIFFRACTION21chain 'D' and (resid 1 through 113 )
22X-RAY DIFFRACTION22chain 'D' and (resid 114 through 140 )
23X-RAY DIFFRACTION23chain 'D' and (resid 141 through 202 )
24X-RAY DIFFRACTION24chain 'D' and (resid 203 through 257 )
25X-RAY DIFFRACTION25chain 'D' and (resid 258 through 288 )
26X-RAY DIFFRACTION26chain 'D' and (resid 289 through 334 )
27X-RAY DIFFRACTION27chain 'D' and (resid 335 through 392 )
28X-RAY DIFFRACTION28chain 'E' and (resid 2 through 50 )
29X-RAY DIFFRACTION29chain 'E' and (resid 51 through 129 )
30X-RAY DIFFRACTION30chain 'F' and (resid 2 through 30 )
31X-RAY DIFFRACTION31chain 'F' and (resid 31 through 60 )
32X-RAY DIFFRACTION32chain 'F' and (resid 61 through 101 )
33X-RAY DIFFRACTION33chain 'F' and (resid 102 through 129 )
34X-RAY DIFFRACTION34chain 'G' and (resid 2 through 14 )
35X-RAY DIFFRACTION35chain 'G' and (resid 15 through 20 )
36X-RAY DIFFRACTION36chain 'G' and (resid 21 through 50 )
37X-RAY DIFFRACTION37chain 'G' and (resid 51 through 60 )
38X-RAY DIFFRACTION38chain 'G' and (resid 61 through 72 )
39X-RAY DIFFRACTION39chain 'G' and (resid 73 through 101 )
40X-RAY DIFFRACTION40chain 'G' and (resid 102 through 129 )
41X-RAY DIFFRACTION41chain 'H' and (resid 2 through 20 )
42X-RAY DIFFRACTION42chain 'H' and (resid 21 through 40 )
43X-RAY DIFFRACTION43chain 'H' and (resid 41 through 60 )
44X-RAY DIFFRACTION44chain 'H' and (resid 61 through 72 )
45X-RAY DIFFRACTION45chain 'H' and (resid 73 through 80 )
46X-RAY DIFFRACTION46chain 'H' and (resid 81 through 89 )
47X-RAY DIFFRACTION47chain 'H' and (resid 90 through 101 )
48X-RAY DIFFRACTION48chain 'H' and (resid 102 through 112 )
49X-RAY DIFFRACTION49chain 'H' and (resid 113 through 129 )
50X-RAY DIFFRACTION50chain 'I' and (resid 3 through 67 )
51X-RAY DIFFRACTION51chain 'I' and (resid 68 through 129 )
52X-RAY DIFFRACTION52chain 'I' and (resid 130 through 157 )
53X-RAY DIFFRACTION53chain 'I' and (resid 158 through 173 )
54X-RAY DIFFRACTION54chain 'I' and (resid 174 through 194 )
55X-RAY DIFFRACTION55chain 'I' and (resid 195 through 241 )
56X-RAY DIFFRACTION56chain 'I' and (resid 242 through 259 )
57X-RAY DIFFRACTION57chain 'I' and (resid 260 through 311 )
58X-RAY DIFFRACTION58chain 'I' and (resid 312 through 349 )
59X-RAY DIFFRACTION59chain 'J' and (resid 2 through 173 )
60X-RAY DIFFRACTION60chain 'J' and (resid 174 through 241 )
61X-RAY DIFFRACTION61chain 'J' and (resid 242 through 349 )
62X-RAY DIFFRACTION62chain 'K' and (resid 3 through 67 )
63X-RAY DIFFRACTION63chain 'K' and (resid 68 through 173 )
64X-RAY DIFFRACTION64chain 'K' and (resid 174 through 194 )
65X-RAY DIFFRACTION65chain 'K' and (resid 195 through 241 )
66X-RAY DIFFRACTION66chain 'K' and (resid 242 through 259 )
67X-RAY DIFFRACTION67chain 'K' and (resid 260 through 311 )
68X-RAY DIFFRACTION68chain 'K' and (resid 312 through 349 )
69X-RAY DIFFRACTION69chain 'L' and (resid 3 through 67 )
70X-RAY DIFFRACTION70chain 'L' and (resid 68 through 99 )
71X-RAY DIFFRACTION71chain 'L' and (resid 100 through 166 )
72X-RAY DIFFRACTION72chain 'L' and (resid 167 through 182 )
73X-RAY DIFFRACTION73chain 'L' and (resid 183 through 209 )
74X-RAY DIFFRACTION74chain 'L' and (resid 210 through 225 )
75X-RAY DIFFRACTION75chain 'L' and (resid 226 through 241 )
76X-RAY DIFFRACTION76chain 'L' and (resid 242 through 259 )
77X-RAY DIFFRACTION77chain 'L' and (resid 260 through 311 )
78X-RAY DIFFRACTION78chain 'L' and (resid 312 through 349 )

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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