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- PDB-9dsz: Crystal structure of ADP-ribose diphosphatase from Klebsiella pne... -

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基本情報

登録情報
データベース: PDB / ID: 9dsz
タイトルCrystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (DTP bound)
要素ADP-ribose pyrophosphatase
キーワードHYDROLASE / SSGCID / STRUCTURAL GENOMICS / SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE / ADP-ribose diphosphatase
機能・相同性
機能・相同性情報


ADP-sugar diphosphatase activity / ADP-ribose diphosphatase / ADP-ribose diphosphatase activity / nucleoside phosphate metabolic process / ribose phosphate metabolic process / nucleotide binding / metal ion binding
類似検索 - 分子機能
Nucleoside diphosphate pyrophosphatase / NUDIX hydrolase, conserved site / Nudix box signature. / NUDIX domain / Nudix hydrolase domain profile. / NUDIX hydrolase domain / NUDIX hydrolase-like domain superfamily
類似検索 - ドメイン・相同性
2'-DEOXYADENOSINE 5'-TRIPHOSPHATE / ADP-ribose pyrophosphatase
類似検索 - 構成要素
生物種Klebsiella pneumoniae (肺炎桿菌)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 1.9 Å
データ登録者Seattle Structural Genomics Center for Infectious Disease / Seattle Structural Genomics Center for Infectious Disease (SSGCID)
資金援助 米国, 2件
組織認可番号
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)75N93022C00036 米国
National Institutes of Health/Office of the DirectorS10OD030394 米国
引用ジャーナル: To be published
タイトル: Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (DTP bound)
著者: Liu, L. / Lovell, S. / Buchko, G.W. / Battaile, K.P.
履歴
登録2024年9月30日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02024年10月9日Provider: repository / タイプ: Initial release

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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: ADP-ribose pyrophosphatase
B: ADP-ribose pyrophosphatase
C: ADP-ribose pyrophosphatase
D: ADP-ribose pyrophosphatase
E: ADP-ribose pyrophosphatase
F: ADP-ribose pyrophosphatase
G: ADP-ribose pyrophosphatase
H: ADP-ribose pyrophosphatase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)202,11526
ポリマ-197,9438
非ポリマー4,17318
12,232679
1
A: ADP-ribose pyrophosphatase
B: ADP-ribose pyrophosphatase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)50,5176
ポリマ-49,4862
非ポリマー1,0314
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area8620 Å2
ΔGint-58 kcal/mol
Surface area15640 Å2
手法PISA
2
C: ADP-ribose pyrophosphatase
D: ADP-ribose pyrophosphatase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)50,5176
ポリマ-49,4862
非ポリマー1,0314
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area8890 Å2
ΔGint-55 kcal/mol
Surface area16250 Å2
手法PISA
3
E: ADP-ribose pyrophosphatase
F: ADP-ribose pyrophosphatase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)50,5417
ポリマ-49,4862
非ポリマー1,0555
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9060 Å2
ΔGint-64 kcal/mol
Surface area16130 Å2
手法PISA
4
G: ADP-ribose pyrophosphatase
H: ADP-ribose pyrophosphatase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)50,5417
ポリマ-49,4862
非ポリマー1,0555
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area8750 Å2
ΔGint-68 kcal/mol
Surface area15960 Å2
手法PISA
単位格子
Length a, b, c (Å)92.843, 79.311, 115.827
Angle α, β, γ (deg.)90.00, 90.30, 90.00
Int Tables number4
Space group name H-MP1211

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要素

#1: タンパク質
ADP-ribose pyrophosphatase / ADP-ribose diphosphatase / ADP-ribose phosphohydrolase / Adenosine diphosphoribose pyrophosphatase


分子量: 24742.848 Da / 分子数: 8 / 由来タイプ: 組換発現 / 詳細: HS11286 / 由来: (組換発現) Klebsiella pneumoniae (肺炎桿菌) / 遺伝子: KPHS_45750 / プラスミド: KlpnC.20447.a.B1 / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 株 (発現宿主): BL21(DE3) / 参照: UniProt: A0A0H3GVQ7, ADP-ribose diphosphatase
#2: 化合物
ChemComp-DTP / 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE / dATP


分子量: 491.182 Da / 分子数: 8 / 由来タイプ: 合成 / : C10H16N5O12P3 / タイプ: SUBJECT OF INVESTIGATION
#3: 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: 10 / 由来タイプ: 合成 / : Mg / タイプ: SUBJECT OF INVESTIGATION
#4: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 679 / 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
Has protein modificationN

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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: 2.15 Å3/Da / 溶媒含有率: 42.91 %
結晶化温度: 291 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 8.5
詳細: 20% (v/v) PEG 3350, 0.2M sodium acetate, 0.1 M Tris 8.5, KlpnC.20447.a.B1.PB00133 at 26 mg/mL. plate Liu-S-107 AB/12. 5 hour soak in 5mM DTP/MgCl2, Puck: PSL-0206, Cryo: 30% (v/v) PEG 3350, 0. ...詳細: 20% (v/v) PEG 3350, 0.2M sodium acetate, 0.1 M Tris 8.5, KlpnC.20447.a.B1.PB00133 at 26 mg/mL. plate Liu-S-107 AB/12. 5 hour soak in 5mM DTP/MgCl2, Puck: PSL-0206, Cryo: 30% (v/v) PEG 3350, 0.2 M sodium acetate, 0.1 M Tris 8.5.

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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: NSLS-II / ビームライン: 19-ID / 波長: 0.9786 Å
検出器タイプ: DECTRIS EIGER2 XE 9M / 検出器: PIXEL / 日付: 2024年4月13日
放射モノクロメーター: Double Crystal Si 111 / 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: 0.9786 Å / 相対比: 1
反射解像度: 1.9→92.84 Å / Num. obs: 132200 / % possible obs: 99.8 % / 冗長度: 5.9 % / CC1/2: 0.998 / Rmerge(I) obs: 0.097 / Rpim(I) all: 0.043 / Rrim(I) all: 0.106 / Χ2: 1 / Net I/σ(I): 10 / Num. measured all: 781765
反射 シェル解像度: 1.9→1.95 Å / % possible obs: 99.7 % / 冗長度: 5.9 % / Rmerge(I) obs: 1.256 / Num. measured all: 57372 / Num. unique obs: 9727 / CC1/2: 0.695 / Rpim(I) all: 0.556 / Rrim(I) all: 1.377 / Χ2: 0.98 / Net I/σ(I) obs: 1.6

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解析

ソフトウェア
名称バージョン分類
PHENIX(dev_5396: ???)精密化
Aimlessデータスケーリング
XDSデータ削減
PHASER位相決定
精密化構造決定の手法: 分子置換 / 解像度: 1.9→72.63 Å / SU ML: 0.23 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 25.59 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.2334 6548 4.96 %
Rwork0.1962 --
obs0.198 131970 99.56 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.1 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
精密化ステップサイクル: LAST / 解像度: 1.9→72.63 Å
タンパク質核酸リガンド溶媒全体
原子数12430 0 234 679 13343
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00713046
X-RAY DIFFRACTIONf_angle_d0.8717759
X-RAY DIFFRACTIONf_dihedral_angle_d14.4914917
X-RAY DIFFRACTIONf_chiral_restr0.0611969
X-RAY DIFFRACTIONf_plane_restr0.0082272
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.9-1.920.36241910.30294175X-RAY DIFFRACTION99
1.92-1.940.31682110.27874158X-RAY DIFFRACTION99
1.94-1.970.31682030.2754166X-RAY DIFFRACTION99
1.97-1.990.30822120.264135X-RAY DIFFRACTION100
1.99-2.020.29242180.25334182X-RAY DIFFRACTION100
2.02-2.050.2852150.24784147X-RAY DIFFRACTION100
2.05-2.080.28122260.24544187X-RAY DIFFRACTION100
2.08-2.110.24762430.23584161X-RAY DIFFRACTION100
2.11-2.140.29512460.21764129X-RAY DIFFRACTION100
2.14-2.170.25252050.21354158X-RAY DIFFRACTION100
2.17-2.210.28042310.21144189X-RAY DIFFRACTION100
2.21-2.250.25091860.20864170X-RAY DIFFRACTION100
2.25-2.30.25192230.20684189X-RAY DIFFRACTION100
2.3-2.340.24582400.21014170X-RAY DIFFRACTION100
2.34-2.390.27182080.21484207X-RAY DIFFRACTION100
2.39-2.450.28112390.20754129X-RAY DIFFRACTION100
2.45-2.510.25742240.19624176X-RAY DIFFRACTION100
2.51-2.580.25832100.19824204X-RAY DIFFRACTION100
2.58-2.650.25892310.20594185X-RAY DIFFRACTION100
2.65-2.740.3012110.21664178X-RAY DIFFRACTION100
2.74-2.840.23452050.21944203X-RAY DIFFRACTION100
2.84-2.950.27212050.21414168X-RAY DIFFRACTION100
2.95-3.090.26362240.21164161X-RAY DIFFRACTION99
3.09-3.250.2562220.21254192X-RAY DIFFRACTION100
3.25-3.450.22742300.19944200X-RAY DIFFRACTION99
3.45-3.720.19051990.18064127X-RAY DIFFRACTION97
3.72-4.090.17752100.15774228X-RAY DIFFRACTION100
4.09-4.690.1772500.14034209X-RAY DIFFRACTION100
4.69-5.90.18522120.15584236X-RAY DIFFRACTION100
5.9-72.630.21362180.20644303X-RAY DIFFRACTION98
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)
16.17031.0536-3.30985.2727-1.72256.6065-0.06530.67860.663-0.5270.13770.071-0.3801-0.1575-0.10960.34880.0064-0.00340.34450.05130.29173.56253.450564.2448
25.02461.2481-1.14543.5091-2.60385.62480.02750.35140.2876-0.14440.38270.81970.1119-0.5328-0.41770.2751-0.04610.04210.3901-0.03910.3743-3.2258-5.286471.0882
37.10732.65622.24954.36321.11524.23290.1728-0.3360.1449-0.0676-0.1513-0.0237-0.3770.8445-0.01670.3360.0033-0.01230.7281-0.04990.296211.3832-0.248958.0429
42.22860.55350.54291.20560.34683.083-0.0827-0.17220.06850.3912-0.04320.15880.1271-0.16220.05080.24230.04840.00150.2263-0.01060.18793.3265-0.569184.1792
51.95761.7632.79254.24853.14594.79990.1754-0.7313-0.16680.411-0.1257-0.05860.3597-0.4287-0.01460.4281-0.03970.03150.53780.05140.2916.2576-7.305799.4067
62.3089-0.88122.16761.7969-1.85322.7815-0.17620.0250.2358-0.06480.02781.4002-0.3268-1.03970.1380.52330.071-0.08590.4247-0.01180.5127-4.12916.420588.9653
77.70040.5089-0.55253.9964-0.21011.9818-0.3022-0.7776-0.3104-0.2586-0.14770.67630.3602-0.58840.5190.41790.10250.06070.4888-0.01460.3862-2.17277.570697.4629
82.0491-0.2581-0.69462.1871.07984.085-0.1266-0.36690.1270.15950.2413-0.0464-0.52250.0718-0.14180.39110.0365-0.00220.2102-0.02160.27387.12595.906590.3158
93.98331.33621.89075.77770.83560.89970.102-0.5162-0.46060.972-0.26641.0846-0.217-1.77420.23680.5930.09330.21661.10540.01130.47871.05651.8802107.8406
103.4406-1.2369-0.33984.03441.99865.6326-0.0009-0.9023-0.42810.5969-0.0099-0.33260.72220.81560.05460.4322-0.0108-0.00020.48990.10120.250314.2042-5.4807102.3593
112.7632-0.3613-1.0113.20621.43683.42920.0306-0.71520.17710.117-0.0723-0.3612-0.50030.37860.04080.4875-0.0573-0.01920.543-0.0330.265517.4347.590298.5497
121.19910.15460.9881.39640.73061.95070.4594-0.6725-0.46840.6475-0.23960.02750.57490.0531-0.11440.608-0.2196-0.02370.56220.13880.4744-2.692-18.233389.1822
130.50320.0377-0.41010.0084-0.03930.34540.1789-0.5359-0.12280.3179-0.01670.0674-0.05130.16770.73651.085-0.86270.40941.62070.05120.6331-7.4032-15.8578104.1495
142.52580.39110.40861.7816-0.16143.28210.20920.1919-0.4406-0.0623-0.16960.09430.3483-0.12590.00040.2854-0.02030.00360.1404-0.02150.27429.5366-10.949582.6654
158.18880.14672.46810.05580.09831.4842-0.03470.4537-0.04330.03910.0447-0.0552-0.17070.42430.03240.2911-0.07530.01120.3480.01590.244117.10931.585474.0246
166.7263-0.0215-0.46232.8306-4.69727.87740.07790.7842-0.9798-0.67350.46860.57161.854-0.19-0.44780.7316-0.0199-0.0240.4448-0.0670.547916.1777-18.495777.1144
175.89241.3852-1.46461.8476-0.99272.3363-0.20110.1006-0.6549-0.26220.0727-0.28460.56330.19280.11650.39130.06110.03650.2403-0.02470.332320.6474-11.951381.0321
183.7813-1.1815.32822.2043-1.21427.575-0.21612.1554-1.0456-1.1606-0.10530.02990.01270.78330.34940.59470.03710.050.8477-0.0510.509827.8838-4.907469.2539
196.0625-0.6826-0.1193.55130.67131.9209-0.0840.09190.66790.295-0.0004-0.0544-0.6560.26020.06330.4032-0.084-0.04350.26550.08420.301722.34526.292679.4482
206.3754-2.33790.03913.3630.10982.7918-0.1156-0.63010.22620.12490.0118-0.37460.06220.73630.08740.2766-0.01040.01120.46920.06260.260128.3426-2.234988.7173
214.13061.2006-2.71852.025-1.74673.91580.12440.40310.0643-0.0053-0.06090.2512-0.0423-0.4705-0.07930.309-0.0310.0020.6061-0.08880.33493.8748-2.75898.6915
222.0945-0.0366-0.13391.75041.43133.8875-0.0554-0.1027-0.08850.2485-0.03210.03770.2461-0.28680.10550.258-0.03760.02660.3192-0.00580.28164.809-2.615135.4919
231.9214-0.0715-0.01730.94041.21874.5556-0.0338-0.19380.15160.07710.00250.1037-0.2545-0.50760.03270.28910.01320.02220.3133-0.00870.32054.5897.19536.2603
242.03771.6089-0.37324.8536-3.3712.70170.26610.5461-0.22130.84340.14380.1294-0.1063-1.1601-0.15330.487-0.1620.08730.7877-0.03020.5031-3.3971-1.004549.948
253.01080.5558-0.5014.1140.35954.6123-0.0096-0.58670.12050.19250.0369-0.4228-0.04760.3467-0.01490.21590.0465-0.02280.3495-0.05010.276616.91373.431642.2964
262.92520.5774-0.46464.9935-0.51311.60160.5496-0.806-0.71831.6057-0.13910.0251.5709-1.2495-0.2920.919-0.08680.12370.60960.09060.48172.151-18.2142.2194
271.7104-0.20750.65020.9508-0.68920.9247-0.01260.366-0.91090.0050.13440.01230.9212-0.903-0.29850.5791-0.30110.0480.651-0.06790.5327-2.8756-17.801727.4755
282.13381.4739-0.92971.8079-0.37382.94850.3087-0.6615-0.02210.7285-0.30630.01130.1317-0.1150.0380.9579-0.78120.31960.90690.12980.3282-5.2084-15.161248.4386
294.17480.1453-1.20260.6114-0.25563.0999-0.20350.0349-0.3766-0.02170.1124-0.03820.64740.03190.04460.3654-0.04780.05230.2419-0.06110.345810.835-11.270526.1992
307.92670.04530.81790.58460.07981.245-0.10850.72040.0043-0.09460.1236-0.1571-0.06810.0943-0.02120.2362-0.0210.01950.425-0.03670.283618.180.828315.8618
314.7802-0.2726-0.64177.01190.78753.5758-0.28270.5195-0.9364-0.48060.2039-0.50110.7186-0.19050.14690.5336-0.01120.0480.3397-0.11990.577321.8898-15.93419.2739
324.9515-0.2652-1.16911.24770.0432.3552-0.1796-0.3345-0.701-0.18920.0923-0.3890.46090.1590.11020.29440.01690.05540.1381-0.01890.402420.6476-10.394127.3938
330.46060.8195-0.13353.187-1.78821.41660.02981.3901-0.6041-1.1054-0.445-0.1431-0.42650.3572-0.66650.4770.08380.01710.9037-0.35490.475530.1698-4.853312.2412
346.2917-0.3328-0.88594.07030.38461.96460.15380.32930.6504-0.0417-0.0434-0.1267-0.4881-0.0285-0.13020.2644-0.02190.00320.20440.04810.291422.726.105120.6869
356.0763-1.08310.7663.73940.24372.818-0.0667-0.7550.21560.1520.1422-0.42260.08960.5604-0.09570.21850.03020.00180.4044-0.01950.263229.6383-1.449430.8773
364.9348-0.8473-0.60912.6092-0.39371.92780.01780.02030.1787-0.1110.0999-0.17910.11230.3173-0.09960.36010.0067-0.00440.5337-0.08430.3359.2269-3.179822.3082
371.893-0.5123-1.28011.79760.29722.39770.0595-0.1888-0.011-0.145-0.02250.4029-0.3251-0.5722-0.0230.22330.0017-0.05710.2973-0.00630.340149.54253.353514.1016
383.3055-3.1106-0.80284.38310.27160.40560.19530.6842-0.0947-1.0382-0.43920.3636-0.624-0.54140.13380.71260.0296-0.11190.42390.06380.314954.0967.3889-11.6486
394.55090.3511-3.2557.20020.26137.59450.0886-0.63350.46330.4806-0.23511.37540.2192-0.745-0.00380.4182-0.0566-0.16590.59210.010.486542.5836-5.1628-1.2389
403.97560.3377-1.28691.5535-0.80083.3274-0.07980.94390.0276-0.421-0.00180.30690.7705-1.2872-0.14390.4252-0.0069-0.24260.8176-0.12810.636744.5071-6.7988-9.4095
411.5805-0.458-0.4622.0520.81921.8129-0.19570.298-0.2517-0.31650.08590.38680.4634-0.4670.19090.4832-0.1162-0.1040.2176-0.04760.333453.6375-5.8536-2.3488
421.8269-0.1378-0.74441.9895-0.74370.6173-0.29111.72340.8852-1.4723-0.05690.6982-0.0435-0.98960.33380.8722-0.1396-0.34641.37560.15370.734847.7988-1.9275-20.2808
432.7392-0.39550.67122.505-0.11663.98360.03690.5809-0.0379-0.714-0.0304-0.4181-0.09660.3922-0.00340.5535-0.0352-0.03020.28480.00830.268863.1395-2.1204-12.0584
442.05050.3277-1.44770.68881.28444.67940.33391.00620.6095-0.9638-0.30680.323-0.56440.02120.21720.94910.1999-0.16050.55430.21460.538345.203121.9267-6.7247
452.7072-0.3963-0.10671.5914-0.18182.6860.36580.34470.3295-0.7462-0.10990.4167-0.7846-0.41150.00040.65280.1841-0.26290.37660.02240.424648.640214.96060.105
466.54170.1636-0.72941.4509-0.01472.725-0.11330.26820.0239-0.05380.2076-0.01780.10090.4002-0.09470.2080.0094-0.03870.2186-0.01950.197163.6789-1.565914.5222
475.8071-0.60270.60285.2816-1.60073.4918-0.4282-0.61990.91840.47880.25010.2718-1.1695-0.05970.24450.6349-0.1046-0.03280.4416-0.17360.486868.548715.38611.8565
484.2659-0.2874-0.18621.56060.03381.7508-0.4526-0.0930.4765-0.05930.2738-0.2734-0.78170.42130.16190.3586-0.1169-0.060.3495-0.05090.310569.14718.69577.3512
493.49350.57140.68972.79820.51052.2288-0.07790.082-0.2323-0.23760.2433-0.21780.15990.926-0.09290.25950.00650.00880.4241-0.04780.262972.3027-2.68294.4036
502.9968-1.9510.19474.45810.95564.10430.1379-0.58250.02950.50060.0465-0.39571.21750.01560.0280.53550.0324-0.00490.27390.03060.280651.3227-2.479681.1587
513.9092-1.60870.98752.7617-0.73155.0407-0.0738-0.4074-0.12090.36930.20280.0381-0.08730.017-0.12830.29090.01080.0520.28370.00550.271348.57354.457679.1403
520.89650.134-0.33780.84340.72262.5467-0.00260.0721-0.0449-0.0634-0.02340.0508-0.0277-0.23590.04530.17850.0221-0.00020.13730.01880.190951.9334-0.435253.2493
532.881-1.47120.4695.41114.27675.88-0.03440.19150.1892-0.4285-0.095-0.0318-0.7662-0.11680.14740.37860.09550.03860.27390.06340.248150.54113.703349.9009
542.99590.8585-0.41635.8444-1.76438.0079-0.0109-0.2942-0.31430.07080.0390.55210.2728-0.9145-0.01960.1841-0.01980.01690.29610.00840.330943.9257-7.301252.0312
550.2643-0.0406-0.62251.01351.69043.0312-0.0636-0.043-0.10390.02010.03260.01350.242-0.2147-0.01230.2564-0.03010.01480.14220.01320.254953.3944-6.263355.7124
563.4984-3.18460.64827.71530.89162.4339-0.0189-0.149-0.19370.1345-0.05940.8343-0.2421-0.55010.13710.3416-0.05090.02070.4268-0.02250.436443.5322-0.663340.6151
572.238-0.4975-0.28672.60080.43144.54180.03950.12770.02210.02590.0575-0.312-0.04080.1979-0.08270.1415-0.02290.01440.12730.0110.20962.377-2.604845.6693
581.2316-1.2558-0.98532.39313.18074.8350.45730.45240.4253-0.9103-0.07540.106-1.754-0.1655-0.26090.65980.0766-0.01050.29340.04020.346244.820118.63447.7828
591.21220.1920.55940.3315-0.35196.81090.10810.11930.2743-0.1933-0.25070.2546-0.3496-0.43940.19520.42770.1469-0.00890.2233-0.00340.322841.65816.770761.7477
600.9496-0.2498-0.26191.2928-0.20112.14950.28110.3048-0.0418-0.2186-0.10110.1063-0.315-0.1965-0.17240.30650.1148-0.01950.2311-0.05670.227750.406911.841855.8009
616.50291.2477-1.54650.7861-0.12611.859-0.01970.0219-0.23040.20230.1296-0.17870.21450.3849-0.0990.27010.0649-0.02650.24950.020.235264.2974-0.676172.0693
625.4326-0.38011.11541.6426-0.20941.1271-0.2007-0.34460.62180.23680.171-0.2948-0.33460.06960.01840.3363-0.0131-0.02540.2435-0.08180.318666.029713.506964.4718
634.7475-1.3172-4.97033.3019-0.98017.0283-0.6166-2.05170.67410.7306-0.10550.2753-0.20881.3680.00480.54650.0724-0.07560.9136-0.3080.50674.9095.860575.9859
644.30740.6239-0.21833.5301-0.16420.9404-0.0511-0.6206-0.56840.18410.0334-0.17410.39130.2371-0.0130.26320.074-0.01650.25950.06490.250669.118-5.634966.6944
656.30241.3938-0.77752.1890.1662.111-0.16490.4906-0.3636-0.11840.0885-0.3639-0.0470.50170.05150.2018-0.0039-0.01090.39370.01920.279374.61882.666456.915
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 10 through 23 )
2X-RAY DIFFRACTION2chain 'A' and (resid 24 through 38 )
3X-RAY DIFFRACTION3chain 'A' and (resid 39 through 48 )
4X-RAY DIFFRACTION4chain 'A' and (resid 49 through 66 )
5X-RAY DIFFRACTION5chain 'A' and (resid 67 through 94 )
6X-RAY DIFFRACTION6chain 'A' and (resid 95 through 104 )
7X-RAY DIFFRACTION7chain 'A' and (resid 105 through 117 )
8X-RAY DIFFRACTION8chain 'A' and (resid 118 through 147 )
9X-RAY DIFFRACTION9chain 'A' and (resid 148 through 166 )
10X-RAY DIFFRACTION10chain 'A' and (resid 167 through 187 )
11X-RAY DIFFRACTION11chain 'A' and (resid 188 through 209 )
12X-RAY DIFFRACTION12chain 'B' and (resid 6 through 38 )
13X-RAY DIFFRACTION13chain 'B' and (resid 39 through 48 )
14X-RAY DIFFRACTION14chain 'B' and (resid 49 through 66 )
15X-RAY DIFFRACTION15chain 'B' and (resid 67 through 94 )
16X-RAY DIFFRACTION16chain 'B' and (resid 95 through 104 )
17X-RAY DIFFRACTION17chain 'B' and (resid 105 through 147 )
18X-RAY DIFFRACTION18chain 'B' and (resid 148 through 166 )
19X-RAY DIFFRACTION19chain 'B' and (resid 167 through 187 )
20X-RAY DIFFRACTION20chain 'B' and (resid 188 through 209 )
21X-RAY DIFFRACTION21chain 'C' and (resid 7 through 48 )
22X-RAY DIFFRACTION22chain 'C' and (resid 49 through 104 )
23X-RAY DIFFRACTION23chain 'C' and (resid 105 through 152 )
24X-RAY DIFFRACTION24chain 'C' and (resid 153 through 166 )
25X-RAY DIFFRACTION25chain 'C' and (resid 167 through 210 )
26X-RAY DIFFRACTION26chain 'D' and (resid 6 through 23 )
27X-RAY DIFFRACTION27chain 'D' and (resid 24 through 38 )
28X-RAY DIFFRACTION28chain 'D' and (resid 39 through 48 )
29X-RAY DIFFRACTION29chain 'D' and (resid 49 through 66 )
30X-RAY DIFFRACTION30chain 'D' and (resid 67 through 93 )
31X-RAY DIFFRACTION31chain 'D' and (resid 94 through 117 )
32X-RAY DIFFRACTION32chain 'D' and (resid 118 through 147 )
33X-RAY DIFFRACTION33chain 'D' and (resid 148 through 166 )
34X-RAY DIFFRACTION34chain 'D' and (resid 167 through 187 )
35X-RAY DIFFRACTION35chain 'D' and (resid 188 through 210 )
36X-RAY DIFFRACTION36chain 'E' and (resid -4 through 23 )
37X-RAY DIFFRACTION37chain 'E' and (resid 24 through 66 )
38X-RAY DIFFRACTION38chain 'E' and (resid 67 through 94 )
39X-RAY DIFFRACTION39chain 'E' and (resid 95 through 104 )
40X-RAY DIFFRACTION40chain 'E' and (resid 105 through 117 )
41X-RAY DIFFRACTION41chain 'E' and (resid 118 through 147 )
42X-RAY DIFFRACTION42chain 'E' and (resid 148 through 166 )
43X-RAY DIFFRACTION43chain 'E' and (resid 167 through 209 )
44X-RAY DIFFRACTION44chain 'F' and (resid 11 through 23 )
45X-RAY DIFFRACTION45chain 'F' and (resid 24 through 66 )
46X-RAY DIFFRACTION46chain 'F' and (resid 67 through 93 )
47X-RAY DIFFRACTION47chain 'F' and (resid 94 through 117 )
48X-RAY DIFFRACTION48chain 'F' and (resid 118 through 166 )
49X-RAY DIFFRACTION49chain 'F' and (resid 167 through 209 )
50X-RAY DIFFRACTION50chain 'G' and (resid 8 through 23 )
51X-RAY DIFFRACTION51chain 'G' and (resid 24 through 48 )
52X-RAY DIFFRACTION52chain 'G' and (resid 49 through 78 )
53X-RAY DIFFRACTION53chain 'G' and (resid 79 through 93 )
54X-RAY DIFFRACTION54chain 'G' and (resid 94 through 117 )
55X-RAY DIFFRACTION55chain 'G' and (resid 118 through 147 )
56X-RAY DIFFRACTION56chain 'G' and (resid 148 through 166 )
57X-RAY DIFFRACTION57chain 'G' and (resid 167 through 210 )
58X-RAY DIFFRACTION58chain 'H' and (resid 7 through 23 )
59X-RAY DIFFRACTION59chain 'H' and (resid 24 through 38 )
60X-RAY DIFFRACTION60chain 'H' and (resid 39 through 66 )
61X-RAY DIFFRACTION61chain 'H' and (resid 67 through 93 )
62X-RAY DIFFRACTION62chain 'H' and (resid 94 through 147 )
63X-RAY DIFFRACTION63chain 'H' and (resid 148 through 166 )
64X-RAY DIFFRACTION64chain 'H' and (resid 167 through 187 )
65X-RAY DIFFRACTION65chain 'H' and (resid 188 through 209 )

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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://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