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- PDB-6msw: Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacill... -

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基本情報

登録情報
データベース: PDB / ID: 6msw
タイトルCrystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans, K184L mutant
要素Deoxyribose-phosphate aldolase
キーワードLYASE / aldolase / TIM barrel / 2-deoxyribose-5-phosphate / DRP
機能・相同性
機能・相同性情報


deoxyribose phosphate catabolic process / deoxyribose-phosphate aldolase / deoxyribose-phosphate aldolase activity / deoxyribonucleotide catabolic process / carbohydrate catabolic process / cytoplasm
類似検索 - 分子機能
Deoxyribose-phosphate aldolase type I / Deoxyribose-phosphate aldolase / DeoC/LacD family aldolase / DeoC/FbaB/LacD aldolase / DeoC/LacD family aldolase / Aldolase class I / Aldolase-type TIM barrel / TIM Barrel / Alpha-Beta Barrel / Alpha Beta
類似検索 - ドメイン・相同性
Deoxyribose-phosphate aldolase
類似検索 - 構成要素
生物種Bacillus halodurans C-125 (バクテリア)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.169 Å
データ登録者Stogios, P.J. / Skarina, T. / Kim, T. / Yim, V. / Yakunin, A. / Savchenko, A.
資金援助 カナダ, 1件
組織認可番号
Natural Sciences and Engineering Research Council (NSERC, Canada)Industrial Biocatalysis Network カナダ
引用ジャーナル: J.Biol.Chem. / : 2020
タイトル: Rational engineering of 2-deoxyribose-5-phosphate aldolases for the biosynthesis of (R)-1,3-butanediol.
著者: Kim, T. / Stogios, P.J. / Khusnutdinova, A.N. / Nemr, K. / Skarina, T. / Flick, R. / Joo, J.C. / Mahadevan, R. / Savchenko, A. / Yakunin, A.F.
履歴
登録2018年10月18日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02019年10月23日Provider: repository / タイプ: Initial release
改定 1.12020年1月8日Group: Author supporting evidence / カテゴリ: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
改定 1.22020年5月6日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
改定 1.32023年10月11日Group: Data collection / Database references / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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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: Deoxyribose-phosphate aldolase
B: Deoxyribose-phosphate aldolase
C: Deoxyribose-phosphate aldolase
D: Deoxyribose-phosphate aldolase
E: Deoxyribose-phosphate aldolase
F: Deoxyribose-phosphate aldolase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)141,79023
ポリマ-140,2246
非ポリマー1,56617
15,079837
1
D: Deoxyribose-phosphate aldolase
ヘテロ分子

A: Deoxyribose-phosphate aldolase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)47,3869
ポリマ-46,7412
非ポリマー6457
362
タイプ名称対称操作
identity operation1_555x,y,z1
crystal symmetry operation2_657-x+1,y,-z+21
Buried area3720 Å2
ΔGint-21 kcal/mol
Surface area17880 Å2
手法PISA
2
B: Deoxyribose-phosphate aldolase
ヘテロ分子

C: Deoxyribose-phosphate aldolase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)47,2948
ポリマ-46,7412
非ポリマー5536
362
タイプ名称対称操作
identity operation1_555x,y,z1
crystal symmetry operation4_546-x+1/2,y-1/2,-z+11
Buried area3420 Å2
ΔGint-23 kcal/mol
Surface area17650 Å2
手法PISA
3
E: Deoxyribose-phosphate aldolase
F: Deoxyribose-phosphate aldolase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)47,1106
ポリマ-46,7412
非ポリマー3684
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area3310 Å2
ΔGint-22 kcal/mol
Surface area16960 Å2
手法PISA
単位格子
Length a, b, c (Å)240.779, 55.125, 176.297
Angle α, β, γ (deg.)90.00, 127.71, 90.00
Int Tables number5
Space group name H-MC121

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要素

#1: タンパク質
Deoxyribose-phosphate aldolase / DERA / 2-deoxy-D-ribose 5-phosphate aldolase / Phosphodeoxyriboaldolase / Deoxyriboaldolase


分子量: 23370.711 Da / 分子数: 6 / 変異: K184L / 由来タイプ: 組換発現
由来: (組換発現) Bacillus halodurans C-125 (バクテリア)
: ATCC BAA-125 / DSM 18197 / FERM 7344 / JCM 9153 / C-125
遺伝子: deoC, dra, BH1352 / プラスミド: p15Tv lic / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 株 (発現宿主): BL21(DE3)-Gold / 参照: UniProt: Q9KD67, deoxyribose-phosphate aldolase
#2: 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: 17 / 由来タイプ: 合成 / : C3H8O3
#3: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 837 / 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: 3.3 Å3/Da / 溶媒含有率: 62.73 %
結晶化温度: 298 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7.5
詳細: 20% PEG3350, 0.2 M magnesium chloride, 0.1 M Bis-Tris pH 5.5, 10 mM acetaldehyde

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データ収集

回折平均測定温度: 298 K / Serial crystal experiment: N
放射光源由来: シンクロトロン / サイト: APS / ビームライン: 21-ID-D / 波長: 0.97872 Å
検出器タイプ: DECTRIS EIGER X 9M / 検出器: PIXEL / 日付: 2017年10月23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: 0.97872 Å / 相対比: 1
反射解像度: 2.169→30 Å / Num. obs: 97428 / % possible obs: 100 % / 冗長度: 4.2 % / Rmerge(I) obs: 0.077 / Rpim(I) all: 0.042 / Net I/σ(I): 17.75
反射 シェル解像度: 2.17→2.21 Å / 冗長度: 4.2 % / Rmerge(I) obs: 0.734 / Mean I/σ(I) obs: 2.11 / Num. unique obs: 4866 / CC1/2: 0.815 / Rpim(I) all: 0.405 / % possible all: 100

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解析

ソフトウェア
名称バージョン分類
PHENIX1.14_3260精密化
XDSデータ削減
Aimlessデータスケーリング
PHENIX位相決定
PHENIXモデル構築
Cootモデル構築
精密化構造決定の手法: 分子置換
開始モデル: 6D33
解像度: 2.169→29.976 Å / SU ML: 0.24 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 23.81
Rfactor反射数%反射Selection details
Rfree0.2109 1997 2.05 %RANDOM
Rwork0.1927 ---
obs0.193 97396 99.58 %-
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å
精密化ステップサイクル: LAST / 解像度: 2.169→29.976 Å
タンパク質核酸リガンド溶媒全体
原子数9494 0 102 837 10433
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.0049695
X-RAY DIFFRACTIONf_angle_d0.61813110
X-RAY DIFFRACTIONf_dihedral_angle_d19.7243535
X-RAY DIFFRACTIONf_chiral_restr0.0431616
X-RAY DIFFRACTIONf_plane_restr0.0041677
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.1685-2.22270.30011340.28766421X-RAY DIFFRACTION95
2.2227-2.28280.30051410.26546766X-RAY DIFFRACTION100
2.2828-2.350.25441420.26126775X-RAY DIFFRACTION100
2.35-2.42580.30111420.24766801X-RAY DIFFRACTION100
2.4258-2.51240.25731430.23646824X-RAY DIFFRACTION100
2.5124-2.6130.23461430.22786792X-RAY DIFFRACTION100
2.613-2.73180.25591420.22166784X-RAY DIFFRACTION100
2.7318-2.87580.20191430.21626839X-RAY DIFFRACTION100
2.8758-3.05580.24171430.21596826X-RAY DIFFRACTION100
3.0558-3.29140.23361420.20856803X-RAY DIFFRACTION100
3.2914-3.62220.18931430.18346875X-RAY DIFFRACTION100
3.6222-4.14510.1831450.16266871X-RAY DIFFRACTION100
4.1451-5.21790.15971450.14546911X-RAY DIFFRACTION100
5.2179-29.97910.19931490.17537111X-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)
11.4661-0.17611.91984.59431.00162.8855-0.62240.16231.10790.54020.0404-0.8252-1.30510.799-0.90251.3113-0.2071-0.61310.1461-0.11240.852555.308339.7751126.1844
22.4151-2.68340.64653.10050.02854.967-0.08220.33591.08190.0561-0.0192-2.0356-1.14251.2599-0.27051.056-0.5057-0.4670.5460.23411.370262.871639.1998117.7983
38.0797-1.96620.52495.4525-1.07751.2964-0.08290.35580.2614-0.2392-0.2844-0.6013-0.03280.82150.35140.402-0.0791-0.05030.42190.13570.485267.094471.7286139.8835
48.67774.069-7.69042.1829-3.99689.9412-0.4263-0.91750.34820.5441-0.4538-1.2982-0.67931.77350.83650.536-0.1094-0.22160.73120.1240.701270.715976.8424147.1894
55.24883.8416-5.45053.3418-5.00327.5873-0.2154-0.50990.12840.1762-0.2945-0.5356-0.53180.33560.42750.4505-0.0023-0.14480.38610.06180.443261.802876.9205146.6025
66.42574.2859-0.1997.57191.55555.5291-0.64320.05280.3366-0.50260.2511-0.1796-0.5140.26380.36110.41160.043-0.11960.30490.05860.335556.607774.5076142.6033
73.86262.43725.96089.77575.1499.4857-0.5141-0.79330.6268-0.3134-0.16870.4153-0.853-0.76130.82780.4250.1299-0.04150.3771-0.06930.283845.917974.2464145.964
87.60194.56572.72096.08874.25489.6069-0.95220.2548-0.1622-0.62590.4802-0.03090.4156-0.29210.34680.4627-0.00740.03350.2821-0.0080.281747.668664.1001136.0244
97.67666.51566.40665.53235.41465.3715-0.6099-0.05510.199-0.44780.45540.7891-0.4836-0.55740.02250.4459-0.0103-0.03360.422-0.01850.302141.153268.9823134.7554
106.05651.311-0.51576.26414.07698.4684-0.3265-0.0341-0.10910.0167-0.1066-0.090.1718-0.34340.3120.37660.03630.0090.20350.04410.194651.915967.4683133.7932
113.7935-4.1814-1.4174.73620.58729.16030.0850.4251-0.4297-1.0964-0.55660.19950.5356-0.4290.44510.5837-0.09950.02430.2847-0.02920.367847.561962.7524125.246
122.29141.21361.36420.73271.0518.2256-0.3125-0.3819-0.03220.1034-0.0176-0.65270.63510.40780.44560.46720.02420.05590.26180.08160.411157.474464.4467133.5074
135.8703-0.59662.75622.1550.43246.1676-0.22740.4023-0.0249-0.3847-0.2715-0.49320.44570.7990.48610.51240.04620.12860.3150.14260.456863.102366.911126.6119
147.02245.9486-6.68785.1406-5.59816.3895-0.02640.35690.2646-0.97860.8188-0.5519-0.2274-0.0014-0.81010.6733-0.06180.09230.73760.08750.753281.505773.2557131.7629
156.8707-4.2477-2.31867.57815.72824.9327-0.3044-0.05670.23060.3229-0.16840.1980.2534-0.0930.28520.42750.02150.01640.39450.08590.283614.295843.424966.8443
167.2022-2.1192-3.01584.87686.90819.8880.42580.42680.5628-0.2272-0.30530.29-0.8712-0.2967-0.18820.68680.15580.00290.54140.13470.422513.883552.018563.206
173.4816-0.6365-0.94661.64721.19190.9512-0.0805-0.14180.0580.0468-0.1304-0.0558-0.3593-0.13610.15940.49060.0623-0.01310.43450.08320.294921.86747.878962.9603
183.8673-3.4182-2.41229.23414.63454.5613-0.1704-0.19420.32940.58010.1846-0.3256-0.38590.5011-0.00480.6687-0.0379-0.06450.4970.09330.269424.514741.725765.6602
192.3870.41790.72.01843.9448.942-0.00730.15540.1176-0.4827-0.2342-0.5666-0.29090.80480.13690.36610.0042-0.00940.55450.20920.388933.831337.162361.5507
202.38031.59880.7877.17513.15554.7132-0.07350.0961-0.09410.2679-0.26370.02430.66980.11850.31470.53250.04460.03060.5260.1460.306926.50126.781167.941
218.46915.66532.92264.30062.72694.33740.28830.3597-0.70791.3323-0.264-1.48750.69591.02450.04690.5610.1087-0.05430.69120.19340.423534.393427.094370.139
229.08856.7138-0.23364.98850.31346.2154-0.0418-0.0203-0.28840.0612-0.2026-0.47050.13810.25660.16890.47340.0241-0.05090.41390.11540.303424.538531.080571.5301
234.31076.29993.14969.56364.04317.38520.3874-1.3361-1.03160.9574-0.7657-0.56410.9983-0.19840.32140.75060.0391-0.01340.51420.16610.344525.046422.338977.8015
247.9384-0.99292.56654.16040.61955.6026-0.0024-0.08370.17170.1428-0.2360.24490.1001-0.41550.21250.4945-0.033-0.00880.45520.060.273317.013631.171176.3949
256.6243-1.13756.31075.29860.18936.7175-0.057-0.58120.14150.2111-0.18240.1924-0.206-0.44920.27560.4790.01660.00840.5313-0.02160.265110.42137.849278.4748
269.0237-4.8884-6.41492.64563.4764.5576-0.1713-0.65010.38390.51420.23910.37780.0224-0.2016-0.19270.61740.0676-0.02260.7053-0.06890.47172.535148.408579.2046
276.9649-2.37894.91357.8458-0.58573.63220.1088-0.6735-0.44880.20570.4439-0.07760.8938-0.2105-0.70130.7235-0.02150.10120.4525-0.00220.389-8.117643.429691.3174
287.7071-1.99473.61193.844-4.00944.53370.02350.088-1.2711-0.2533-0.0319-0.30053.518-0.3422-0.11391.1789-0.05370.18870.5134-0.0430.6858-12.162335.698288.0641
296.6311-1.6558-2.80625.9164-5.63078.5488-0.0162-0.1413-0.44060.2787-0.10660.05750.6491-0.327-0.03580.74-0.15810.08760.5006-0.08710.3675-16.724143.636188.3971
301.938-0.6883-0.16716.9043-2.64267.4897-0.2378-0.291-0.26810.09490.10790.52680.9448-0.65190.09030.5813-0.13450.10480.5826-0.06320.3233-16.164650.013391.0801
314.08032.6617-1.14224.6923-2.15612.8206-0.1267-0.00330.00740.2498-0.0920.08950.1478-0.160.15440.4063-0.05510.0470.5876-0.16610.2866-15.788261.574790.6816
323.43175.6606-2.10739.7692-3.56668.87140.2347-0.41160.70220.9237-0.33640.6717-0.7305-0.49120.11420.5603-0.01380.04140.5509-0.17240.3749-16.824468.086995.9258
334.27914.88-2.41155.6299-2.3123.48590.2084-0.44910.04710.3498-0.42450.06430.1281-0.03460.16220.456-0.04180.0630.6208-0.12880.2547-10.70659.1696.5764
349.8183-2.1379-6.61783.14121.34944.593-0.3364-0.33880.76990.28890.3006-0.19790.17770.57610.09820.6221-0.148-0.05670.6756-0.0710.3064-6.006867.0033102.5422
356.8947-1.19253.90426.23182.40815.5852-0.0072-0.2879-0.22220.3603-0.0641-0.15620.38290.77480.10140.5125-0.05020.05550.6182-0.01070.239-4.34656.6406101.6847
369.1853-0.7516-2.45758.33146.47155.5318-0.0291-0.0215-0.73940.57290.0662-0.62561.25611.1335-0.01190.99490.19240.04540.8410.12450.3831-0.188342.6853100.3345
376.8269-4.4989-3.53218.76585.70053.7889-0.42130.6791-0.80220.2934-0.5840.27391.5201-0.69390.83030.83110.03980.23420.4108-0.0810.5261-20.291546.3502127.7931
387.5107-3.6112-3.41295.84575.62545.407-0.28180.1685-1.44020.7105-0.0034-0.33991.70510.43180.24070.91680.21020.22570.50090.03550.7532-13.194243.3183133.1019
398.5613-1.6672-0.963.6235.60029.1612-0.43780.7096-0.68140.49820.266-0.32481.0870.79470.0650.60450.09120.12110.4353-0.02190.415-13.202751.6406129.952
406.7662-2.42963.22897.3942-0.89874.83290.22460.8456-0.4138-0.5135-0.4494-0.38370.59160.82080.20910.5299-0.00040.14940.5044-0.03120.3318-16.618355.8523125.5232
415.4311-6.85794.36868.6302-5.49763.5296-0.25110.0862-0.220.25540.20220.0009-0.07650.31810.00820.3974-0.13280.03270.5485-0.00330.2884-15.962866.9677125.6663
427.9092-5.17160.16536.30570.21194.86540.2410.941-0.2673-0.6656-0.62610.4475-0.1201-0.26170.27310.4965-0.12010.01520.5676-0.05250.3441-28.540463.451119.6913
434.7604-5.98793.12068.0198-2.46876.4820.35890.88940.7307-0.6431-0.4874-0.1147-0.59260.11250.05870.6123-0.1069-0.01420.5577-0.00530.2811-24.634169.2412115.2558
442.047-0.8391-2.70482.20581.94027.6592-0.47040.1367-0.1818-0.0828-0.01830.21660.17490.08520.41030.5295-0.12990.05940.453-0.05450.3158-25.940558.4616117.9456
453.14323.9583-4.21548.4164-1.94638.9898-0.95861.06840.1137-1.11770.33750.79470.2198-1.21380.73080.5591-0.0901-0.03770.8523-0.1920.4122-32.96560.6183110.2214
467.18514.6274-0.83937.2346-2.47836.9831-0.30680.5193-0.3533-0.15130.04510.27110.4051-0.2520.35510.5336-0.11660.13510.4891-0.19710.4447-29.174951.8553114.4136
472.74370.41072.17279.3473-5.80015.769-0.1237-0.0225-1.0238-0.307-0.15420.12191.50330.15140.01011.0014-0.09750.32420.5794-0.19480.7087-25.565638.8164120.16
486.5307-2.06570.7046.282-4.36833.1263-0.70250.31151.09480.01530.0482-0.0513-1.29-0.90870.47021.19620.3873-0.34170.5218-0.01630.662827.372848.466100.9875
496.2675-5.95495.52085.8327-5.35894.9391-0.5948-0.38310.42791.11590.42360.6023-1.8214-1.5226-0.10651.34780.6128-0.17161.0028-0.03380.719521.215147.2026107.8687
508.1352-5.73745.14756.4874-4.43255.4899-0.6855-0.15440.30730.54780.66080.5119-0.9846-1.0695-0.14510.62740.1985-0.09140.6480.04490.433425.262339.8452104.512
512.84670.9508-3.80193.457-1.23926.924-0.29230.89390.84970.16610.21020.2451-0.7154-0.8810.17460.63650.0624-0.19650.45220.08660.430630.174138.129599.9636
524.03830.3099-5.95592.1743-0.38148.8457-0.2557-0.155-0.3001-0.14140.13310.08490.453-0.27030.080.4293-0.0638-0.07130.38590.07280.293535.179927.97399.9087
534.01993.9033-5.53865.7483-4.51598.3732-0.04980.98420.5447-0.0145-0.328-0.6142-0.37040.61040.32980.5996-0.1821-0.15490.56860.16290.430843.834737.262193.127
545.10466.6542-5.07549.8623-5.13557.11810.05881.29-0.73240.0792-0.216-0.83480.39320.6820.05490.53940.0185-0.05320.58450.08740.383443.336530.205489.0648
553.98564.0481-3.8164.2873-4.56526.9747-0.2140.1983-0.24490.1686-0.1332-0.5827-0.59790.30350.3320.5834-0.0803-0.14880.41440.13070.506438.739.722791.6453
568.25654.4733-0.12687.63751.62386.9378-0.27240.58970.5598-0.9368-0.4104-0.7885-0.98741.2510.6160.6788-0.1537-0.10530.77330.36160.594345.703541.432183.5393
572.0541-0.214-2.00115.4902-3.3674.3003-0.26330.26950.75610.2792-0.1274-0.3637-1.60790.22990.17060.8387-0.1699-0.240.43840.26610.577739.527947.910988.8181
582.55770.0809-2.93276.99212.33458.407-0.0482-0.08830.90330.6699-0.3009-0.0324-1.6173-0.77210.21991.19230.1426-0.3560.55860.09970.721429.931654.440792.0565
594.65210.4987-1.83446.5962-2.0351.7678-0.51810.19060.79220.5946-0.4905-0.987-1.06191.46991.02820.7207-0.3375-0.30670.67030.3150.889659.815537.2236110.2838
605.48380.54051.06196.8451-0.97252.7535-0.61740.88490.1896-0.35660.463-1.0555-0.50791.56450.34770.6842-0.2938-0.09621.20060.3370.89766.2634.388103.6606
614.6317-1.60792.60368.1366-0.5167.6019-0.43740.61080.53030.0510.0246-0.8684-0.52391.30560.39170.3906-0.152-0.07620.69480.23660.558258.585329.8613105.0595
622.0831-2.08730.31194.5191-0.29497.7779-0.54820.09110.54120.39310.0171-0.8373-0.20071.18780.63970.5306-0.0812-0.14680.4450.1330.503852.997329.6122109.3803
639.5846-6.4197-3.33156.72621.80427.4187-0.00490.61060.3888-0.2572-0.2376-0.17880.169-0.120.22010.4391-0.0259-0.02920.25160.03290.274543.524724.3364106.7606
648.4594-5.9269-1.70097.75460.06847.9416-0.2015-0.40840.65330.19870.035-0.2217-1.1961-0.44190.07410.65350.0478-0.210.333-0.0410.343740.453934.1464116.6546
654.504-4.2949-2.60884.18071.86256.6174-0.4136-0.2176-0.32780.59590.24280.42810.0585-1.19810.12790.56250.0114-0.05460.44520.01040.345437.276226.7377118.2086
663.6625-4.135-2.98337.21474.01932.6917-0.3530.17410.3994-0.2656-0.1793-0.0112-0.8152-0.24690.12981.07620.1015-0.43790.11620.01280.49745.951733.4041118.5988
673.1265-1.9253-2.253.10992.63712.44-0.5915-0.8750.93360.85190.12250.1925-1.0124-0.50110.27241.03170.2942-0.32230.4401-0.1860.505440.274235.4106127.3541
682.28461.0219-2.24971.5683-0.95732.2295-0.3760.23890.8618-0.2490.2018-0.1862-1.22780.0776-0.15091.1979-0.0396-0.48170.01870.14460.702849.317438.76118.4977
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'F' and (resid 167 through 200 )
2X-RAY DIFFRACTION2chain 'F' and (resid 201 through 216 )
3X-RAY DIFFRACTION3chain 'A' and (resid 3 through 19 )
4X-RAY DIFFRACTION4chain 'A' and (resid 20 through 33 )
5X-RAY DIFFRACTION5chain 'A' and (resid 34 through 51 )
6X-RAY DIFFRACTION6chain 'A' and (resid 52 through 72 )
7X-RAY DIFFRACTION7chain 'A' and (resid 73 through 86 )
8X-RAY DIFFRACTION8chain 'A' and (resid 87 through 104 )
9X-RAY DIFFRACTION9chain 'A' and (resid 105 through 119 )
10X-RAY DIFFRACTION10chain 'A' and (resid 120 through 135 )
11X-RAY DIFFRACTION11chain 'A' and (resid 136 through 149 )
12X-RAY DIFFRACTION12chain 'A' and (resid 150 through 166 )
13X-RAY DIFFRACTION13chain 'A' and (resid 167 through 210 )
14X-RAY DIFFRACTION14chain 'A' and (resid 211 through 224 )
15X-RAY DIFFRACTION15chain 'B' and (resid 4 through 19 )
16X-RAY DIFFRACTION16chain 'B' and (resid 20 through 33 )
17X-RAY DIFFRACTION17chain 'B' and (resid 34 through 51 )
18X-RAY DIFFRACTION18chain 'B' and (resid 52 through 72 )
19X-RAY DIFFRACTION19chain 'B' and (resid 73 through 86 )
20X-RAY DIFFRACTION20chain 'B' and (resid 87 through 104 )
21X-RAY DIFFRACTION21chain 'B' and (resid 105 through 119 )
22X-RAY DIFFRACTION22chain 'B' and (resid 120 through 135 )
23X-RAY DIFFRACTION23chain 'B' and (resid 136 through 149 )
24X-RAY DIFFRACTION24chain 'B' and (resid 150 through 191 )
25X-RAY DIFFRACTION25chain 'B' and (resid 192 through 210 )
26X-RAY DIFFRACTION26chain 'B' and (resid 211 through 224 )
27X-RAY DIFFRACTION27chain 'C' and (resid 4 through 19 )
28X-RAY DIFFRACTION28chain 'C' and (resid 20 through 33 )
29X-RAY DIFFRACTION29chain 'C' and (resid 34 through 51 )
30X-RAY DIFFRACTION30chain 'C' and (resid 52 through 72 )
31X-RAY DIFFRACTION31chain 'C' and (resid 73 through 104 )
32X-RAY DIFFRACTION32chain 'C' and (resid 105 through 118 )
33X-RAY DIFFRACTION33chain 'C' and (resid 119 through 135 )
34X-RAY DIFFRACTION34chain 'C' and (resid 136 through 149 )
35X-RAY DIFFRACTION35chain 'C' and (resid 150 through 186 )
36X-RAY DIFFRACTION36chain 'C' and (resid 187 through 219 )
37X-RAY DIFFRACTION37chain 'D' and (resid 4 through 19 )
38X-RAY DIFFRACTION38chain 'D' and (resid 20 through 33 )
39X-RAY DIFFRACTION39chain 'D' and (resid 34 through 51 )
40X-RAY DIFFRACTION40chain 'D' and (resid 52 through 72 )
41X-RAY DIFFRACTION41chain 'D' and (resid 73 through 86 )
42X-RAY DIFFRACTION42chain 'D' and (resid 87 through 104 )
43X-RAY DIFFRACTION43chain 'D' and (resid 105 through 119 )
44X-RAY DIFFRACTION44chain 'D' and (resid 120 through 135 )
45X-RAY DIFFRACTION45chain 'D' and (resid 136 through 149 )
46X-RAY DIFFRACTION46chain 'D' and (resid 150 through 186 )
47X-RAY DIFFRACTION47chain 'D' and (resid 187 through 219 )
48X-RAY DIFFRACTION48chain 'E' and (resid 3 through 19 )
49X-RAY DIFFRACTION49chain 'E' and (resid 20 through 33 )
50X-RAY DIFFRACTION50chain 'E' and (resid 34 through 51 )
51X-RAY DIFFRACTION51chain 'E' and (resid 52 through 72 )
52X-RAY DIFFRACTION52chain 'E' and (resid 73 through 86 )
53X-RAY DIFFRACTION53chain 'E' and (resid 87 through 104 )
54X-RAY DIFFRACTION54chain 'E' and (resid 105 through 118 )
55X-RAY DIFFRACTION55chain 'E' and (resid 119 through 135 )
56X-RAY DIFFRACTION56chain 'E' and (resid 136 through 149 )
57X-RAY DIFFRACTION57chain 'E' and (resid 150 through 177 )
58X-RAY DIFFRACTION58chain 'E' and (resid 178 through 219 )
59X-RAY DIFFRACTION59chain 'F' and (resid 4 through 19 )
60X-RAY DIFFRACTION60chain 'F' and (resid 20 through 33 )
61X-RAY DIFFRACTION61chain 'F' and (resid 34 through 51 )
62X-RAY DIFFRACTION62chain 'F' and (resid 52 through 72 )
63X-RAY DIFFRACTION63chain 'F' and (resid 73 through 86 )
64X-RAY DIFFRACTION64chain 'F' and (resid 87 through 104 )
65X-RAY DIFFRACTION65chain 'F' and (resid 105 through 119 )
66X-RAY DIFFRACTION66chain 'F' and (resid 120 through 135 )
67X-RAY DIFFRACTION67chain 'F' and (resid 136 through 149 )
68X-RAY DIFFRACTION68chain 'F' and (resid 150 through 166 )

+
万見について

-
お知らせ

-
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