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- PDB-5c31: Constitutively active Sin recombinase catalytic domain reveals tw... -

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データを開く


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基本情報

登録情報
データベース: PDB / ID: 5c31
タイトルConstitutively active Sin recombinase catalytic domain reveals two rotational intermediates
要素Sin, putative plasmid resolvase dimer
キーワードDNA BINDING PROTEIN / Serine recombinase / Site specific recombinase / Conformational flexibility
機能・相同性
機能・相同性情報


transposition / DNA strand exchange activity / DNA integration / DNA binding
類似検索 - 分子機能
Resolvase, N-terminal catalytic domain / Site-specific recombinases signature 2. / Resolvase, HTH domain / Helix-turn-helix domain of resolvase / Recombinase, conserved site / Site-specific recombinases active site. / Resolvase/invertase-type recombinase catalytic domain profile. / Resolvase, N-terminal catalytic domain / Resolvase-like, N-terminal catalytic domain superfamily / Resolvase, N terminal domain ...Resolvase, N-terminal catalytic domain / Site-specific recombinases signature 2. / Resolvase, HTH domain / Helix-turn-helix domain of resolvase / Recombinase, conserved site / Site-specific recombinases active site. / Resolvase/invertase-type recombinase catalytic domain profile. / Resolvase, N-terminal catalytic domain / Resolvase-like, N-terminal catalytic domain superfamily / Resolvase, N terminal domain / Resolvase, N terminal domain / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
類似検索 - ドメイン・相同性
Putative transposon Tn552 DNA-invertase bin3
類似検索 - 構成要素
生物種Staphylococcus aureus (黄色ブドウ球菌)
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Trejo, C.S. / Rice, P.A.
資金援助 米国, 3件
組織認可番号
National Institutes of Health/National Institute of Biomedical Imaging and Bioengineering (NIH/NIBIB)T32EB009412 米国
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01-GM086826 米国
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01-GM078450 米国
引用ジャーナル: Nucleic Acids Res. / : 2018
タイトル: Snapshots of a molecular swivel in action
著者: Trejo, C.S. / Rock, R.S. / Star, W.M. / Boocock, M.R. / Rice, P.A.
履歴
登録2015年6月16日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02016年12月21日Provider: repository / タイプ: Initial release
改定 1.12017年9月6日Group: Author supporting evidence / カテゴリ: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
改定 1.22018年1月17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.pdbx_database_id_DOI / _citation.title / _citation.year
改定 1.32019年12月11日Group: Author supporting evidence / カテゴリ: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
改定 1.42023年9月27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
改定 1.52023年11月15日Group: Data collection / カテゴリ: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

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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: Sin, putative plasmid resolvase dimer
B: Sin, putative plasmid resolvase dimer
C: Sin, putative plasmid resolvase dimer
D: Sin, putative plasmid resolvase dimer
E: Sin, putative plasmid resolvase dimer
F: Sin, putative plasmid resolvase dimer
G: Sin, putative plasmid resolvase dimer
H: Sin, putative plasmid resolvase dimer
I: Sin, putative plasmid resolvase dimer
J: Sin, putative plasmid resolvase dimer
K: Sin, putative plasmid resolvase dimer
L: Sin, putative plasmid resolvase dimer
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)183,83433
ポリマ-181,81712
非ポリマー2,01721
72140
1
A: Sin, putative plasmid resolvase dimer
B: Sin, putative plasmid resolvase dimer
C: Sin, putative plasmid resolvase dimer
D: Sin, putative plasmid resolvase dimer
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)61,18210
ポリマ-60,6064
非ポリマー5766
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area7610 Å2
ΔGint-137 kcal/mol
Surface area23840 Å2
手法PISA
2
E: Sin, putative plasmid resolvase dimer
F: Sin, putative plasmid resolvase dimer
G: Sin, putative plasmid resolvase dimer
H: Sin, putative plasmid resolvase dimer
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)61,18210
ポリマ-60,6064
非ポリマー5766
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area7080 Å2
ΔGint-142 kcal/mol
Surface area23990 Å2
手法PISA
3
I: Sin, putative plasmid resolvase dimer
J: Sin, putative plasmid resolvase dimer
K: Sin, putative plasmid resolvase dimer
L: Sin, putative plasmid resolvase dimer
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)61,47013
ポリマ-60,6064
非ポリマー8659
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area7860 Å2
ΔGint-163 kcal/mol
Surface area23420 Å2
手法PISA
単位格子
Length a, b, c (Å)65.589, 152.719, 193.753
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
Sin, putative plasmid resolvase dimer


分子量: 15151.384 Da / 分子数: 12 / 断片: UNP residues 1-128 / 変異: R54E, I113V / 由来タイプ: 組換発現
由来: (組換発現) Staphylococcus aureus (黄色ブドウ球菌)
遺伝子: Sin / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P20384
#2: 化合物...
ChemComp-SO4 / SULFATE ION / 硫酸ジアニオン


分子量: 96.063 Da / 分子数: 21 / 由来タイプ: 合成 / : SO4
#3: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 40 / 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: 2.67 Å3/Da / 溶媒含有率: 53.91 %
結晶化温度: 295 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 7
詳細: 200mM HEPES, pH 7.0, 1.35M (NH4)2SO4, 5% PEG 200, 1mM DTT, 5% propylene glycol

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データ収集

回折平均測定温度: 77 K
放射光源由来: シンクロトロン / サイト: APS / ビームライン: 23-ID-B / 波長: 0.97945 Å
検出器タイプ: MARMOSAIC 300 mm CCD / 検出器: CCD / 日付: 2014年7月20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: 0.97945 Å / 相対比: 1
反射解像度: 3.1→50 Å / Num. obs: 38364 / % possible obs: 99.1 % / 冗長度: 7 % / Biso Wilson estimate: 82.76 Å2 / Rmerge(I) obs: 0.204 / Rpim(I) all: 0.102 / Rrim(I) all: 0.216 / Χ2: 1.906 / Net I/av σ(I): 11.12 / Net I/σ(I): 11.8 / Num. measured all: 270396
反射 シェル

Diffraction-ID: 1 / Rejects: _

解像度 (Å)冗長度 (%)Rmerge(I) obsMean I/σ(I) obsNum. unique allCC1/2Rpim(I) allΧ2% possible allRrim(I) all
3.1-3.155.70115420.2520.9780.97581.6
3.08-3.146.719150.3110.9090.99799.4
3.14-3.2718950.360.7511.04399.9
3.2-3.26718920.4660.6491.08399.9
3.26-3.337.119030.6260.5121.12899.9
3.33-3.417.10.96619150.7030.3861.169100
3.41-3.57.20.75818930.8010.3021.2191000.817
3.5-3.597.20.64819140.8430.2581.2521000.698
3.59-3.770.54719200.8660.2211.72699.90.591
3.7-3.827.20.4719140.9180.1871.3871000.506
3.82-3.957.30.34919140.9530.1381.4271000.376
3.95-4.117.30.32119530.9560.1271.5931000.345
4.11-4.37.30.27719000.9640.1091.661000.298
4.3-4.537.30.22819340.9730.091.7961000.245
4.53-4.817.30.18319400.9830.0731.98299.90.197
4.81-5.187.20.17619510.9840.071.9351000.19
5.18-5.77.20.18619550.9810.0741.9411000.201
5.7-6.527.20.20719870.9790.0832.151000.223
6.52-8.2170.13520060.9920.0543.5721000.145
8.21-506.50.08221210.9960.0347.5641000.089

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解析

ソフトウェア
名称バージョン分類
HKL-2000データ収集
HKL-2000データスケーリング
PHENIX(phenix.refine: dev_1839)精密化
PDB_EXTRACT3.15データ抽出
HKL-2000データ削減
PHENIX(phenix.refine: dev_1839)位相決定
精密化構造決定の手法: 分子置換
開始モデル: PDB entry 5C32
解像度: 3.1→49.754 Å / SU ML: 0.49 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 29.49 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.2863 3548 5.21 %
Rwork0.2273 64548 -
obs0.2304 38364 99.86 %
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: 312.22 Å2 / Biso mean: 94.4994 Å2 / Biso min: 33.41 Å2
精密化ステップサイクル: final / 解像度: 3.1→49.754 Å
タンパク質核酸リガンド溶媒全体
原子数12152 0 105 40 12297
Biso mean--134.55 64.62 -
残基数----1501
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00112376
X-RAY DIFFRACTIONf_angle_d0.35416611
X-RAY DIFFRACTIONf_chiral_restr0.0161896
X-RAY DIFFRACTIONf_plane_restr0.0012129
X-RAY DIFFRACTIONf_dihedral_angle_d9.2244867
LS精密化 シェル

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 25

解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.1-3.14250.321390.3512572271199
3.1425-3.18740.43831370.343825432680100
3.1874-3.23490.34941430.346425702713100
3.2349-3.28550.4321480.357426362784100
3.2855-3.33930.391360.324925232659100
3.3393-3.39690.3311420.31226022744100
3.3969-3.45860.33361430.302426252768100
3.4586-3.52520.35591390.295525312670100
3.5252-3.59710.32521440.274426222766100
3.5971-3.67530.3941400.299225632703100
3.6753-3.76070.29461420.280325512693100
3.7607-3.85480.27961480.233126342782100
3.8548-3.95890.31791390.23825562695100
3.9589-4.07540.28141440.23425972741100
4.0754-4.20690.25561460.21325622708100
4.2069-4.35710.27741420.202326212763100
4.3571-4.53150.24971430.194625452688100
4.5315-4.73760.2471460.181226232769100
4.7376-4.98710.26261380.192425682706100
4.9871-5.29930.29211400.191125712711100
5.2993-5.70790.22781400.205925932733100
5.7079-6.28130.2961380.229525772715100
6.2813-7.18790.28851470.225326032750100
7.1879-9.0470.22981390.183225852724100
9.047-49.76080.24571450.169425752720100
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)
14.7313-5.43761.46698.68452.34179.48350.40761.7224-0.8264-0.1293-1.08921.03850.84790.10620.56080.88710.1191-0.16110.8374-0.22630.897416.5442-67.6778-66.9293
25.03935.0672-4.65065.6722-3.80735.4626-0.1791-1.62093.7458-0.16180.57842.0637-0.1862-1.0199-0.4491.1121-0.0585-0.46261.4139-0.42151.961615.0705-52.5241-72.3203
36.23591.95263.47147.07081.52317.80280.55460.481-0.24990.7916-0.60821.21840.4179-0.20690.00380.73140.02280.1710.6345-0.07680.818212.4383-57.2723-59.2461
44.38551.68332.20854.80935.01175.0953-0.1678-1.2149-2.40722.38780.56551.26533.25620.73461.451.46510.24330.33551.02740.17361.103424.6708-63.4501-45.233
58.0898-0.8982-4.80855.6342.76628.2596-0.14310.6916-0.3413-0.4151-0.50890.1859-0.8147-0.76770.49960.73420.1813-0.10510.7215-0.00980.707324.5679-52.1199-53.6418
66.653.2023-2.83299.1833-2.56911.9117-0.2135-0.4922-0.3690.27920.8461-0.20070.0096-1.9683-0.56260.45880.10890.16270.61140.00010.51037.3758-30.7784-37.9723
79.53925.1777-7.45483.2229-2.62239.13430.054-0.7775-0.1794-0.7711-0.4512-0.0494-0.58070.7210.15430.6922-0.02620.02780.5331-0.00490.446812.2471-23.9697-39.5273
86.6993-1.7064-2.13438.38884.22625.1631-0.01650.38780.34880.0607-0.0171.29780.551-0.7669-0.09610.5283-0.08280.08420.5097-0.03390.69984.0755-34.8302-45.7236
95.86865.1782-0.30927.3235-3.89844.39210.4909-0.0114-1.09630.8517-0.8935-0.20880.67620.24730.46880.60140.24380.09660.4962-0.01470.610213.2414-38.2844-38.9953
109.1267-1.72433.64982.42761.35594.84910.61910.9203-0.1231-0.81720.17690.5320.27190.2242-0.6710.68990.10850.08350.4995-0.00390.680811.5378-40.8002-50.8489
112.6883-1.9822-4.2260.93572.63038.19190.327-0.4285-0.207-1.196-0.58090.1351-1.41882.1130.87560.9230.0902-0.0470.5340.14230.700824.1509-31.784-51.2991
129.4637-1.9108-0.5116.48273.06495.0027-0.3326-0.1601-0.43530.79770.1988-0.01420.3597-0.06090.01620.55490.09680.02050.57420.05540.468521.6382-43.3302-45.5223
133.8874-1.96873.6613.4161-0.72784.546-0.5172-0.83070.25851.58231.7426-0.79411.75360.7529-1.12561.09140.2241-0.18450.8690.15810.812642.4789-54.4853-27.0964
145.07744.7821-0.13411.99645.7415.89441.88150.16210.1541.445-2.19881.27530.8367-1.52140.4161.3120.139-0.22971.02390.04940.618532.835-55.4063-21.2734
155.60282.40560.87127.85823.92298.3711-0.02840.208-0.42281.26010.4006-1.93310.86730.3448-0.76981.28030.0036-0.34260.64350.02540.846942.4922-56.1486-24.3257
164.8599-5.8842-5.21089.1547.00049.27821.1054-0.1330.5643-0.5433-0.5331-1.4437-0.61250.2558-0.45780.9209-0.0258-0.21220.73480.01790.984345.0756-44.1216-26.8911
174.47332.2683-3.90554.7077-0.9434.99371.09551.9723-1.372-1.5397-1.6268-1.10110.81091.98010.58331.25250.3640.10461.43840.06210.805647.6311-57.374-34.8494
189.7145-2.14020.01956.9422-2.29838.4873-0.30790.53070.31970.16730.6555-0.69640.76370.2797-0.34540.77150.1653-0.20040.5939-0.0630.634440.8141-48.6591-36.5675
196.54412.73152.12974.26973.39339.27291.4286-0.1379-1.3120.8034-0.69290.06140.5410.1843-1.27131.02560.17530.01120.9751-0.0160.874432.9525-60.6526-44.9087
207.9241.18993.36543.66131.82129.8256-0.0222-0.2489-0.05210.70310.5164-0.0718-0.43810.7914-0.36140.89880.1468-0.06170.64940.01980.579432.1655-47.8305-42.7138
214.8279-3.81920.81675.8344-0.33260.35820.99190.90432.14-0.7589-0.2353-3.799-0.72882.821-4.89640.5351-0.38580.6262.7625-0.14131.287152.009-34.62-60.9414
227.35463.93152.99612.09961.57471.21912.78290.4260.11511.3668-0.5903-0.2483-0.40960.839-0.882.91681.26310.03183.7264-0.50051.192550.708-43.5761-74.9506
232.5734-0.151.30188.42922.53341.83780.8752-0.9937-0.8949-0.9006-1.5204-0.7174-0.75740.07560.42831.25350.12020.28852.09940.63511.062148.2002-32.15-70.1514
242.6476-1.7905-0.56929.016-0.0610.4795-0.12480.0727-0.1341.82890.0488-0.61620.50810.0350.07521.25710.07130.02162.06780.31751.073354.0297-40.7346-61.5354
255.23312.89291.5199.90530.75075.5287-0.2791-0.14310.30160.2674-0.2427-0.72230.05970.8570.35840.68790.05130.1231.21790.13241.091450.9752-37.6734-56.3921
267.93780.03321.03116.0972-3.29436.9727-0.0095-0.02380.34980.628-0.0244-0.174-0.67730.94240.10040.70390.0478-0.00650.79040.03540.564741.8695-36.9072-51.7233
274.6-0.844-0.79917.8735-0.45178.0275-0.36690.6703-0.7652-1.01310.18930.00150.00180.4578-0.05150.67690.05880.09470.8392-0.00620.57635.9085-43.3905-53.1054
288.159-0.4361-3.87936.5564-0.29153.2793-0.69230.10530.61970.55161.44580.47390.231-0.8328-0.59391.6584-0.0433-0.25721.17170.27182.0651-0.344410.8337-66.7693
292.3263.19030.5234.09991.50314.5824-0.92921.22722.40590.0146-0.94511.2830.22520.35340.59871.01220.1121-0.5761.65470.64073.2794-3.11870.4284-67.0176
303.78380.49831.84796.12592.36.4032-0.7211.72132.4549-0.5949-0.12850.7575-0.36240.2677-1.06090.9779-0.1121-0.57771.30850.87532.07469.0161-5.217-72.3337
314.93364.3456-4.15344.3032-2.67887.7508-2.29121.9132-3.4480.2189-0.4879-0.13221.8481-1.82272.61261.1848-0.26180.36531.5398-0.10831.72291.0732-33.5045-75.9949
326.4571-2.38453.58165.67211.64813.69260.19010.17950.3823-1.60240.3569-0.89150.04820.7018-0.93081.4648-0.39830.10921.6-0.0021.29516.5498-38.6128-80.4833
331.13880.21-3.25870.0364-0.56949.1032-0.743-0.5356-0.75741.0216-0.0271.56771.8816-1.6831.24961.1436-0.14890.37892.25420.95383.41082.2538-25.1012-89.1601
343.00762.69642.80847.04170.89744.0132-0.37590.91890.6583-0.32420.36630.85170.6668-0.0169-0.050.8446-0.1269-0.13861.24060.28820.93626.8194-23.2417-72.4602
359.09620.1509-2.39558.7224-2.08557.8836-0.48341.1804-0.5387-1.1716-0.2799-0.5410.68320.21130.74130.88010.00720.13041.2240.14540.84539.731-8.8434-90.173
364.6275-5.81571.60967.2499-1.65162.1536-1.0422-1.8333-0.79682.56080.7286-0.3924-0.31140.32520.43320.97250.0489-0.04591.27270.29280.93644.1682-4.3674-86.0374
376.02034.802-5.08614.5406-4.38726.2002-0.78250.14790.02380.26650.2234-1.16641.13740.99950.82840.9570.1506-0.2011.20520.19711.142744.7004-15.8167-78.7897
384.1687-0.6474-2.30628.7829-4.95045.5158-0.1789-0.12820.7550.4449-0.3764-0.6759-0.04090.4650.6050.6864-0.1456-0.08751.10260.0520.735437.3217-7.119-75.0724
396.91450.9985-3.66082.97910.22793.02020.62830.78842.86160.4361.34740.82720.5244-0.4446-1.50861.1388-0.2099-0.42071.04220.46821.757525.46441.0169-78.8374
402.4157-0.46661.57427.2754-0.48136.0633-0.34690.15410.2048-0.65950.16910.83210.0249-0.12860.09860.6813-0.17830.0781.01530.25620.701825.2981-10.323-73.532
413.5055-4.8075-0.65397.6424-0.71268.2935-0.9563-1.79020.50921.46221.0193-1.51840.75970.91830.14420.6178-0.0522-0.00590.89170.03930.613232.4099-15.0299-45.2079
422.01837.16922.02764.8347-7.00082.05140.45332.6121.19511.42341.20022.4235-1.2919-2.4843-1.06770.81030.0617-0.11210.68530.01051.008322.8646-2.5009-37.9331
432.7714-1.6654-0.97715.98034.59843.4997-0.0211-0.0979-0.4590.1862-0.96581.5887-0.11360.18120.86840.80250.0046-0.010.45950.07650.620923.1322-15.2962-39.3641
448.07443.5923-0.19864.62924.03098.6241-0.30010.4421-0.2876-0.3891.285-0.22510.034-0.5174-0.78840.55880.04010.02770.57080.07340.536731.7489-16.3661-42.0371
456.1043-3.4497-0.08493.40381.2976.7372-0.08470.41781.05930.0549-0.0669-1.8683-1.05560.6816-0.02950.5948-0.1767-0.0020.73070.13030.727736.2372-4.6115-47.3217
465.1658-4.542-4.90065.84352.19839.7882-1.26450.46210.62050.42660.0433-1.0852.21831.38020.93820.76690.07910.06440.73950.13370.719435.5224-20.1588-51.5997
473.6596-1.391-0.92032.0243-8.62197.7558-0.06921.07930.94-0.1449-0.45491.9849-2.0655-0.3675-1.02040.8492-0.0062-0.08480.44530.15140.639225.0006-6.3113-50.4707
484.5961-3.88982.22513.4305-1.84616.6608-0.00740.2060.1012-0.6489-0.08330.2041-0.56332.49440.29030.5087-0.2216-0.08130.72190.18740.714233.4334-8.9343-59.4047
493.13821.4567-3.16696.2859-1.0998.6250.13990.0991-2.804-0.8075-0.62810.12951.6010.16370.22950.85530.1158-0.03380.78610.18210.62928.7574-18.4619-53.779
508.9854-0.0025-1.27439.81043.86826.15811.1788-0.35510.85630.62980.5223-0.1632-1.0440.0039-1.36570.9475-0.17060.03030.77460.341.00620.6077-24.0582-59.0362
512.9832-0.6636-0.42973.40255.06927.2491-0.43160.52420.74440.53530.57930.04450.49250.0482-0.03840.7562-0.0733-0.07370.90260.26810.859222.1919-10.2515-61.7633
528.471-3.5414-6.11942.97250.6156.80541.27380.75170.6992-1.683-0.57851.2980.0082-0.3142-0.66110.79930.0571-0.25580.7243-0.12580.7516-9.7436-17.2579-35.5649
539.0001-4.6907-2.41219.52683.49197.15250.28120.3023-0.3849-0.0739-0.65010.4441-0.1142-0.80890.37180.4658-0.03910.06780.7016-0.09690.5872-9.2799-21.5836-30.8834
543.69671.4250.75655.0789-1.17141.20430.03410.1862-0.68820.1208-0.3938-0.16370.00070.01120.31810.75530.00990.06160.5423-0.03620.5931-0.2866-17.9542-23.3232
558.288-4.28436.68067.1158-3.6936.0106-0.1688-0.62721.0256-0.04330.0347-0.2812-0.1685-0.37220.28070.5488-0.01060.08770.57920.03570.73692.7011-10.465-20.8524
565.9559-3.93362.82714.87361.60015.8037-0.02141.8197-0.18120.5777-0.3677-0.10090.2202-0.06430.33060.885-0.21980.20810.9380.0780.74082.6787-19.26719.9928
575.0978-1.9305-1.31318.348-3.17437.4107-0.5844-1.3957-0.18190.7725-0.26840.33620.0831-0.43850.55250.9999-0.1840.05880.8936-0.07640.6135-0.1145-14.094412.4956
586.80430.5606-4.16351.80170.02183.9647-2.36240.836-0.2389-1.18910.75470.31365.1651-1.48131.29761.3668-0.24390.2240.9968-0.07910.90814.0476-28.55411.8038
594.0774-1.4081-2.78224.81133.17087.10740.7908-0.5135-0.5885-0.6336-1.63810.76030.7572-2.60090.05580.7191-0.32820.21121.01260.01590.9023-8.7338-18.34142.8888
608.16730.8563-3.20798.0855-2.22029.36190.1126-1.5740.30040.6624-0.3089-1.51670.46421.1525-0.21330.86280.07360.07220.88460.0720.66536.3419-17.85270.8238
614.8974-6.4993-4.53529.48375.94644.74110.87671.8161-0.51610.0962-1.75910.8181-0.2422-1.55740.88920.7435-0.0668-0.07960.8847-0.07670.5965-2.5134-19.1836-7.8265
624.3685.022-5.33745.4159-5.48345.78740.3142-0.67160.00020.4007-0.97460.1177-0.7261-0.35540.62430.6339-0.0157-0.05480.9422-0.1480.6596-2.702-4.6588-2.9881
637.0446-4.90525.18986.8414-4.73157.02350.1166-0.7091-0.3069-0.3456-0.08490.21680.5041-0.44420.16760.54480.02630.05440.58070.00080.64175.4066-10.2331-9.2346
645.77863.45961.19783.43770.31379.19651.7164-0.6104-0.0666-0.5885-0.8422-0.96060.89681.7222-0.73131.93750.17440.5360.6018-0.32891.299513.464316.1794-3.5596
656.00440.64882.67723.94510.88455.92293.1152.7872-3.0843-2.2974-0.86540.9118-1.0742-3.7662-0.78881.10370.710.09152.6426-0.54651.8877-0.939720.2679-12.5533
663.86864.39363.23757.35070.07938.4013-0.1291-1.35441.9670.9596-0.66431.597-0.9091-1.3750.73871.355-0.00470.13391.1228-0.33121.28156.920317.915-1.0937
674.2327-3.50875.33082.8614-4.33816.6037-1.0905-0.74330.18250.90222.4059-4.3208-0.6108-0.63820.51891.5768-0.24340.09311.3562-0.73261.92411.816718.3727-19.0622
686.39441.6273-1.8128.2038-2.84795.17450.8915-0.39110.4323-0.83770.3129-0.8971-0.68910.2773-1.05021.4987-0.16640.24960.7731-0.20190.816715.774613.4549-7.7375
694.71542.1144-2.53588.16760.53171.9780.1445-0.74790.25220.28290.10770.1427-0.6707-0.1851-0.22760.64010.07390.01210.6989-0.03690.557913.78031.1119-8.8905
704.2161-3.99384.38873.892-4.00994.62390.92961.1133-1.27110.682-0.26271.2691-0.64161.5441-0.56940.6175-0.04510.08010.7672-0.02940.931735.7409-6.3447-26.0288
713.3862-2.13752.7351.4939-2.02822.88112.8614-0.2099-1.96812.90410.2719-3.33425.79353.0822-2.6981.53230.1266-0.47441.09490.01421.410740.0703-21.6964-18.513
725.1376-3.68975.11435.3402-5.38546.28380.0921-0.4852-0.0497-0.72010.2244-0.41171.63610.0433-0.52570.70710.1830.03930.67210.16070.777836.1473-16.8177-29.6472
736.01882.49137.25348.33774.26419.982-0.0605-0.72361.0192-0.2583-0.35360.1354-0.094-0.72460.07850.49930.01290.00340.63650.03820.633537.8317-7.9204-28.308
746.6073-0.9631-4.8874.88910.79213.76690.2333-3.1692.77751.41821.63220.6321-1.09993.4487-1.67351.0507-0.183-0.0241.2587-0.04451.209338.5871-9.3655-10.7942
758.8346-0.9146-0.34635.1287-0.36334.2334-0.1213-0.45020.61170.0419-0.0199-0.3926-0.60150.4708-0.05780.5591-0.08420.04060.63530.06540.644433.3252-4.5164-21.5573
765.40273.6836-4.76523.9985-1.12366.8670.8722-1.13640.29880.9523-0.11040.5016-0.8287-0.256-0.5660.6708-0.06150.06890.63130.05710.509926.6912-1.2234-14.9195
777.5662-1.0790.8031.13162.37473.1635-0.220.7029-0.1327-0.47890.71441.7462-0.3960.0125-0.60650.7778-0.0542-0.02850.70810.2451.008720.1899-6.4395-28.1081
787.3568-0.99192.96237.67360.4296.0027-0.2571-0.6425-0.14090.29380.23770.22180.41850.4625-0.05250.4849-0.01080.11620.57380.07290.650618.3809-9.5461-16.6936
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 1:33 )A1 - 33
2X-RAY DIFFRACTION2( CHAIN A AND RESID 34:43 )A34 - 43
3X-RAY DIFFRACTION3( CHAIN A AND RESID 44:90 )A44 - 90
4X-RAY DIFFRACTION4( CHAIN A AND RESID 91:102 )A91 - 102
5X-RAY DIFFRACTION5( CHAIN A AND RESID 103:126 )A103 - 126
6X-RAY DIFFRACTION6( CHAIN B AND RESID 1:14 )B1 - 14
7X-RAY DIFFRACTION7( CHAIN B AND RESID 15:25 )B15 - 25
8X-RAY DIFFRACTION8( CHAIN B AND RESID 26:61 )B26 - 61
9X-RAY DIFFRACTION9( CHAIN B AND RESID 62:70 )B62 - 70
10X-RAY DIFFRACTION10( CHAIN B AND RESID 71:90 )B71 - 90
11X-RAY DIFFRACTION11( CHAIN B AND RESID 91:102 )B91 - 102
12X-RAY DIFFRACTION12( CHAIN B AND RESID 103:126 )B103 - 126
13X-RAY DIFFRACTION13( CHAIN C AND RESID 1:8 )C1 - 8
14X-RAY DIFFRACTION14( CHAIN C AND RESID 9:24 )C9 - 24
15X-RAY DIFFRACTION15( CHAIN C AND RESID 25:34 )C25 - 34
16X-RAY DIFFRACTION16( CHAIN C AND RESID 35:52 )C35 - 52
17X-RAY DIFFRACTION17( CHAIN C AND RESID 53:61 )C53 - 61
18X-RAY DIFFRACTION18( CHAIN C AND RESID 62:90 )C62 - 90
19X-RAY DIFFRACTION19( CHAIN C AND RESID 91:103 )C91 - 103
20X-RAY DIFFRACTION20( CHAIN C AND RESID 104:125 )C104 - 125
21X-RAY DIFFRACTION21( CHAIN D AND RESID 1:8 )D1 - 8
22X-RAY DIFFRACTION22( CHAIN D AND RESID 9:14 )D9 - 14
23X-RAY DIFFRACTION23( CHAIN D AND RESID 15:24 )D15 - 24
24X-RAY DIFFRACTION24( CHAIN D AND RESID 25:43 )D25 - 43
25X-RAY DIFFRACTION25( CHAIN D AND RESID 44:70 )D44 - 70
26X-RAY DIFFRACTION26( CHAIN D AND RESID 71:102 )D71 - 102
27X-RAY DIFFRACTION27( CHAIN D AND RESID 103:125 )D103 - 125
28X-RAY DIFFRACTION28( CHAIN E AND RESID 1:31 )E1 - 31
29X-RAY DIFFRACTION29( CHAIN E AND RESID 32:70 )E32 - 70
30X-RAY DIFFRACTION30( CHAIN E AND RESID 71:125 )E71 - 125
31X-RAY DIFFRACTION31( CHAIN F AND RESID 1:7 )F1 - 7
32X-RAY DIFFRACTION32( CHAIN F AND RESID 8:33 )F8 - 33
33X-RAY DIFFRACTION33( CHAIN F AND RESID 34:43 )F34 - 43
34X-RAY DIFFRACTION34( CHAIN F AND RESID 44:125 )F44 - 125
35X-RAY DIFFRACTION35( CHAIN G AND RESID 1:24 )G1 - 24
36X-RAY DIFFRACTION36( CHAIN G AND RESID 25:33 )G25 - 33
37X-RAY DIFFRACTION37( CHAIN G AND RESID 34:52 )G34 - 52
38X-RAY DIFFRACTION38( CHAIN G AND RESID 53:90 )G53 - 90
39X-RAY DIFFRACTION39( CHAIN G AND RESID 91:102 )G91 - 102
40X-RAY DIFFRACTION40( CHAIN G AND RESID 103:126 )G103 - 126
41X-RAY DIFFRACTION41( CHAIN H AND RESID 1:7 )H1 - 7
42X-RAY DIFFRACTION42( CHAIN H AND RESID 8:14 )H8 - 14
43X-RAY DIFFRACTION43( CHAIN H AND RESID 15:24 )H15 - 24
44X-RAY DIFFRACTION44( CHAIN H AND RESID 25:33 )H25 - 33
45X-RAY DIFFRACTION45( CHAIN H AND RESID 34:52 )H34 - 52
46X-RAY DIFFRACTION46( CHAIN H AND RESID 53:61 )H53 - 61
47X-RAY DIFFRACTION47( CHAIN H AND RESID 62:70 )H62 - 70
48X-RAY DIFFRACTION48( CHAIN H AND RESID 71:83 )H71 - 83
49X-RAY DIFFRACTION49( CHAIN H AND RESID 84:93 )H84 - 93
50X-RAY DIFFRACTION50( CHAIN H AND RESID 94:102 )H94 - 102
51X-RAY DIFFRACTION51( CHAIN H AND RESID 103:125 )H103 - 125
52X-RAY DIFFRACTION52( CHAIN I AND RESID 1:14 )I1 - 14
53X-RAY DIFFRACTION53( CHAIN I AND RESID 15:61 )I15 - 61
54X-RAY DIFFRACTION54( CHAIN I AND RESID 62:102 )I62 - 102
55X-RAY DIFFRACTION55( CHAIN I AND RESID 103:126 )I103 - 126
56X-RAY DIFFRACTION56( CHAIN J AND RESID 1:14 )J1 - 14
57X-RAY DIFFRACTION57( CHAIN J AND RESID 15:33 )J15 - 33
58X-RAY DIFFRACTION58( CHAIN J AND RESID 34:43 )J34 - 43
59X-RAY DIFFRACTION59( CHAIN J AND RESID 44:61 )J44 - 61
60X-RAY DIFFRACTION60( CHAIN J AND RESID 62:70 )J62 - 70
61X-RAY DIFFRACTION61( CHAIN J AND RESID 71:83 )J71 - 83
62X-RAY DIFFRACTION62( CHAIN J AND RESID 84:102 )J84 - 102
63X-RAY DIFFRACTION63( CHAIN J AND RESID 103:125 )J103 - 125
64X-RAY DIFFRACTION64( CHAIN K AND RESID 1:7 )K1 - 7
65X-RAY DIFFRACTION65( CHAIN K AND RESID 8:14 )K8 - 14
66X-RAY DIFFRACTION66( CHAIN K AND RESID 15:33 )K15 - 33
67X-RAY DIFFRACTION67( CHAIN K AND RESID 34:43 )K34 - 43
68X-RAY DIFFRACTION68( CHAIN K AND RESID 44:70 )K44 - 70
69X-RAY DIFFRACTION69( CHAIN K AND RESID 71:126 )K71 - 126
70X-RAY DIFFRACTION70( CHAIN L AND RESID 1:7 )L1 - 7
71X-RAY DIFFRACTION71( CHAIN L AND RESID 8:14 )L8 - 14
72X-RAY DIFFRACTION72( CHAIN L AND RESID 15:24 )L15 - 24
73X-RAY DIFFRACTION73( CHAIN L AND RESID 25:33 )L25 - 33
74X-RAY DIFFRACTION74( CHAIN L AND RESID 34:43 )L34 - 43
75X-RAY DIFFRACTION75( CHAIN L AND RESID 44:70 )L44 - 70
76X-RAY DIFFRACTION76( CHAIN L AND RESID 71:83 )L71 - 83
77X-RAY DIFFRACTION77( CHAIN L AND RESID 84:102 )L84 - 102
78X-RAY DIFFRACTION78( CHAIN L AND RESID 103:125 )L103 - 125

+
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