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- PDB-9egd: AclA from Tenacibaculum discolor in complex with intermediate for... -

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IDまたはキーワード:

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基本情報

登録情報
データベース: PDB / ID: 9egd
タイトルAclA from Tenacibaculum discolor in complex with intermediate formed by C8-Lysine attack on ADP
要素THIF-type NAD/FAD binding fold domain-containing protein
キーワードTRANSFERASE / N-acyl-cyclolysine / biosynthesis / signaling
機能・相同性
機能・相同性情報


tRNA threonylcarbamoyladenosine dehydratase / cyclic threonylcarbamoyladenosine biosynthetic process / ubiquitin-like modifier activating enzyme activity
類似検索 - 分子機能
ThiF/MoeB/HesA family / THIF-type NAD/FAD binding fold / ThiF family / Ubiquitin-activating enzyme
類似検索 - ドメイン・相同性
: / ADENOSINE MONOPHOSPHATE / DI(HYDROXYETHYL)ETHER / THIF-type NAD/FAD binding fold domain-containing protein
類似検索 - 構成要素
生物種Tenacibaculum discolor (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: 3.15 Å
データ登録者Shirkey, J.D. / Jeffrey, P.D. / Linares-Otoya, L. / Khatri Chhetri, B. / Donia, M.S. / Hughson, F.M.
資金援助 米国, 1件
組織認可番号
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R01AI172144 米国
引用ジャーナル: Nature / : 2025
タイトル: Discovery of a widespread chemical signalling pathway in the Bacteroidota
著者: Linares-Otoya, L. / Shirkey, J.D. / Khatri Chhetri, B. / Mira, A. / Biswas, A. / Neff, S.L. / Linares-Otoya, M.V. / Chen, Y. / Campos-Florian, J.V. / Ganoza-Yupanqui, M.L. / Jeffrey, P.D. / ...著者: Linares-Otoya, L. / Shirkey, J.D. / Khatri Chhetri, B. / Mira, A. / Biswas, A. / Neff, S.L. / Linares-Otoya, M.V. / Chen, Y. / Campos-Florian, J.V. / Ganoza-Yupanqui, M.L. / Jeffrey, P.D. / Hughson, F.M. / Donia, M.S.
履歴
登録2024年11月21日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02025年8月13日Provider: repository / タイプ: Initial release
改定 1.12025年8月20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 / _citation_author.identifier_ORCID

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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: THIF-type NAD/FAD binding fold domain-containing protein
B: THIF-type NAD/FAD binding fold domain-containing protein
C: THIF-type NAD/FAD binding fold domain-containing protein
D: THIF-type NAD/FAD binding fold domain-containing protein
E: THIF-type NAD/FAD binding fold domain-containing protein
F: THIF-type NAD/FAD binding fold domain-containing protein
G: THIF-type NAD/FAD binding fold domain-containing protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)215,05024
ポリマ-210,3947
非ポリマー4,65617
00
1
A: THIF-type NAD/FAD binding fold domain-containing protein
B: THIF-type NAD/FAD binding fold domain-containing protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)61,5648
ポリマ-60,1132
非ポリマー1,4516
0
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9300 Å2
ΔGint-30 kcal/mol
Surface area19880 Å2
手法PISA
2
C: THIF-type NAD/FAD binding fold domain-containing protein
D: THIF-type NAD/FAD binding fold domain-containing protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)61,3526
ポリマ-60,1132
非ポリマー1,2394
0
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area8940 Å2
ΔGint-29 kcal/mol
Surface area19750 Å2
手法PISA
3
E: THIF-type NAD/FAD binding fold domain-containing protein
F: THIF-type NAD/FAD binding fold domain-containing protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)61,3526
ポリマ-60,1132
非ポリマー1,2394
0
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area8940 Å2
ΔGint-30 kcal/mol
Surface area19970 Å2
手法PISA
4
G: THIF-type NAD/FAD binding fold domain-containing protein
ヘテロ分子

G: THIF-type NAD/FAD binding fold domain-containing protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)61,5648
ポリマ-60,1132
非ポリマー1,4516
0
タイプ名称対称操作
identity operation1_555x,y,z1
crystal symmetry operation2_556-x,y,-z+11
Buried area9000 Å2
ΔGint-32 kcal/mol
Surface area19730 Å2
手法PISA
単位格子
Length a, b, c (Å)204.122, 83.875, 162.948
Angle α, β, γ (deg.)90.000, 105.491, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID
11
21
31
41
51
61
71

NCSドメイン領域:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11LYSLYSGLUGLU(chain 'A' and (resid 2 through 250 or resid 301 through 302))AA2 - 24916 - 263
12AMPAMPA1BIHA1BIH(chain 'A' and (resid 2 through 250 or resid 301 through 302))AH - I301 - 302
21LYSLYSGLUGLU(chain 'B' and (resid 2 through 249 or (resid 250...BB2 - 24916 - 263
22AMPAMPA1BIHA1BIH(chain 'B' and (resid 2 through 249 or (resid 250...BJ - K301 - 302
31LYSLYSGLUGLU(chain 'C' and (resid 2 through 249 or (resid 250...CC2 - 24916 - 263
32AMPAMPA1BIHA1BIH(chain 'C' and (resid 2 through 249 or (resid 250...CN - O301 - 302
41LYSLYSGLUGLU(chain 'D' and (resid 2 through 250 or resid 301 through 302))DD2 - 24916 - 263
42AMPAMPA1BIHA1BIH(chain 'D' and (resid 2 through 250 or resid 301 through 302))DP - Q301 - 302
51LYSLYSGLUGLU(chain 'E' and (resid 2 through 249 or (resid 250...EE2 - 24916 - 263
52AMPAMPA1BIHA1BIH(chain 'E' and (resid 2 through 249 or (resid 250...ER - S301 - 302
61LYSLYSGLUGLU(chain 'F' and (resid 2 through 249 or (resid 250...FF2 - 24916 - 263
62AMPAMPA1BIHA1BIH(chain 'F' and (resid 2 through 249 or (resid 250...FT - U301 - 302
71LYSLYSGLUGLU(chain 'G' and (resid 2 through 249 or (resid 250...GG2 - 24916 - 263
72AMPAMPA1BIHA1BIH(chain 'G' and (resid 2 through 249 or (resid 250...GV - W301 - 302

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要素

#1: タンパク質
THIF-type NAD/FAD binding fold domain-containing protein


分子量: 30056.287 Da / 分子数: 7 / 由来タイプ: 組換発現
由来: (組換発現) Tenacibaculum discolor (バクテリア)
遺伝子: CSC81_02270 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: A0A2G1BYE5
#2: 化合物
ChemComp-AMP / ADENOSINE MONOPHOSPHATE / AMP


分子量: 347.221 Da / 分子数: 7 / 由来タイプ: 合成 / : C10H14N5O7P / コメント: AMP*YM
#3: 化合物
ChemComp-A1BIH / N~2~-octanoyl-L-lysine


分子量: 272.384 Da / 分子数: 7 / 由来タイプ: 合成 / : C14H28N2O3 / タイプ: SUBJECT OF INVESTIGATION
#4: 化合物 ChemComp-PEG / DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル


分子量: 106.120 Da / 分子数: 3 / 由来タイプ: 合成 / : C4H10O3
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: 3.2 Å3/Da / 溶媒含有率: 61.51 %
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: 7 / 詳細: pH 7.0, DL-Malic Acid, PEG-3350, MgCl2

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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: 17-ID-1 / 波長: 0.9201 Å
検出器タイプ: DECTRIS EIGER X 9M / 検出器: PIXEL / 日付: 2023年7月28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: 0.9201 Å / 相対比: 1
反射解像度: 3.15→29.62 Å / Num. obs: 45960 / % possible obs: 99 % / 冗長度: 3.9 % / CC1/2: 0.987 / Rmerge(I) obs: 0.231 / Rpim(I) all: 0.134 / Rrim(I) all: 0.268 / Χ2: 0.98 / Net I/σ(I): 5.3
反射 シェル解像度: 3.15→3.26 Å / 冗長度: 4 % / Rmerge(I) obs: 1.536 / Num. unique obs: 4488 / CC1/2: 0.541 / Rpim(I) all: 0.867 / Rrim(I) all: 1.767 / Χ2: 0.9

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解析

ソフトウェア
名称バージョン分類
PHENIX1.17_3644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: 3.15→29.62 Å / SU ML: 0.4709 / 交差検証法: FREE R-VALUE / σ(F): 1.36 / 位相誤差: 28.0731
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.2494 2354 5.13 %
Rwork0.1935 43551 -
obs0.1964 45905 99.3 %
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 mean: 88.97 Å2
精密化ステップサイクル: LAST / 解像度: 3.15→29.62 Å
タンパク質核酸リガンド溶媒全体
原子数13987 0 308 0 14295
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.008214606
X-RAY DIFFRACTIONf_angle_d1.272719699
X-RAY DIFFRACTIONf_chiral_restr0.07242145
X-RAY DIFFRACTIONf_plane_restr0.00772493
X-RAY DIFFRACTIONf_dihedral_angle_d23.29385500
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.15-3.210.41541280.3682522X-RAY DIFFRACTION98.88
3.21-3.280.34571310.31642553X-RAY DIFFRACTION99.44
3.28-3.360.37531360.30442551X-RAY DIFFRACTION99.04
3.36-3.440.36921450.2832547X-RAY DIFFRACTION99.3
3.44-3.540.32621370.28432529X-RAY DIFFRACTION99.22
3.54-3.640.29831480.25562530X-RAY DIFFRACTION99.33
3.64-3.760.3191310.22062540X-RAY DIFFRACTION99.11
3.76-3.890.26651350.21872548X-RAY DIFFRACTION99.22
3.89-4.050.2751320.20422550X-RAY DIFFRACTION99.3
4.05-4.230.2431350.17622586X-RAY DIFFRACTION99.52
4.23-4.450.22771500.15152541X-RAY DIFFRACTION99.34
4.45-4.730.18071430.1422533X-RAY DIFFRACTION98.75
4.73-5.10.19671430.15422572X-RAY DIFFRACTION99.23
5.1-5.610.25031450.16482579X-RAY DIFFRACTION99.49
5.61-6.410.20821280.1692602X-RAY DIFFRACTION99.71
6.41-8.050.21131490.16772599X-RAY DIFFRACTION99.82
8.05-29.620.19011380.14692669X-RAY DIFFRACTION99.4
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)
10.3669879550191.08281872042-1.471724583149.25715932453-7.109941280417.18691783873-0.188097927229-0.1270213304051.310272694161.78577935568-0.4104487227950.205989924601-0.670913027666-0.9683105605180.7337537414340.7397186493020.237154163297-0.07010470833430.608771500005-0.2265387139871.21069972832-59.33139773418.072889508262.822530767
23.276152738761.53504278091.166182733253.547751895551.001100002364.70558819015-0.308067872169-0.1302791087791.344774168090.3029689180590.055117309656-0.0596773530526-0.4579568454210.02707723774750.1601658660130.8112439581950.0127513740632-0.3611337120660.335416254005-0.04898242973061.06449283184-41.706341190623.05471101161.6902190021
30.3330657910920.4037409991090.2632149514011.64220175648-0.04476027449240.684640193736-0.459134406625-0.1282048210980.5913325895070.218298375242-0.248015787844-0.0241691699749-0.660018964186-0.178523485437-0.1134594299841.10332990016-0.0268634034417-0.6338978202850.314533831118-0.06855108273461.41946248022-36.984206102930.681441852359.4152460004
40.005017768085810.0707410386830.02918866525211.126758589320.5025460799140.2205759516670.606392738787-0.7057420242850.636277782340.408171988451-0.1828539310470.0166355770815-0.4991413845470.3324458761830.9318794268790.953242811429-0.288914525507-0.489434426210.382117642815-0.3713666602330.853023986103-32.69929433121.566376074372.3498313156
50.976632613942-0.3362670612330.3628901115553.049933773781.214094938252.341431551740.144369588243-0.3648487004960.07170544175860.6216465434630.103773590884-0.809501029099-0.1186272221910.1214613892960.203823121880.79526221002-0.0323341877852-0.4342240032650.154282672055-0.05829507072040.978586520981-29.52783006313.983010519163.6945156155
62.72096055631-0.1619102128431.232809649766.653574065342.439311128732.60549790905-0.1120637774070.1450999941660.0230825497811-0.0101107555993-0.19701190068-1.037312228560.2880928884170.847292617947-0.0878265146660.6934192245340.0221048933232-0.2421704907430.4723401436280.02695053778930.921167018898-24.11338864414.7858560397659.5801562128
73.17145892745-1.62680743363-1.528868019163.50493294401-0.4131119721586.556234053380.2639841478690.3032460676940.502326186338-0.136278659544-0.133841020058-0.4063243035240.3012463964960.672939637929-0.194135666240.611016321449-0.0700728814534-0.4444679036280.514969289198-0.05318694890140.902763472261-32.41080576989.5937370338650.4025912192
85.08762135532-4.914602261330.3065835475157.50380960201-2.627223993526.766839760360.095430884586-0.173172474267-0.1886991676920.520569110557-0.1379193103750.03302012627590.823445321066-0.493231536323-0.1103187023560.653994706343-0.124491765801-0.3562481051660.2894079403970.01468388148830.687727718903-39.27042699953.7508542022660.4509786692
92.58515673026-4.81096486535-4.039861870949.391174465398.236799373187.45122402508-1.01201237716-0.06115965116970.760300251527-1.577048806920.0685097570822-0.358324886713-2.283591115021.586806557720.4752926733570.871102549423-0.330207981384-0.5373166564820.9564521305610.2462962409831.54152042316-30.484829968820.257640242339.2953563895
101.97922158654-0.9973161585430.4817458328073.247686325120.6320276660433.12163298407-0.6280986117760.3280208788770.994052015569-0.575039662596-0.2212383496050.468254030492-0.946129422441-0.2091959510690.5329945179770.8628665674940.00746177178788-0.4842626581210.5450943114950.06638445611721.21087772785-51.993536827424.782990814140.262745833
112.424788907060.110837908004-0.4269666960092.24022090065-2.136328836057.61348410309-0.04752991585760.6614729328080.109475343891-0.1027052929060.07712096942260.601902713135-0.386177660945-0.216320277837-0.07476593582050.7448656546160.0653426085189-0.4862954051640.4720336620160.07710113478541.09020976158-57.958605564811.846875403837.3245115246
121.59782776429-0.1424398019771.750869067742.292331968780.5005198670917.25180177238-0.1932311713660.126269604163-0.283450439772-0.219589741557-0.4325116133830.690145226421-0.403818499651-0.699242290207-0.0253296758370.6639622902690.0675459484685-0.2780150121520.557451942935-0.2124493473151.01776641519-61.954555890.22230534489243.2031154411
131.35420773816-1.91766951887-0.278737408795.073323415933.537894201087.87548653821-0.194811842694-0.0339525728614-0.5008459517580.993934234266-0.2383804805241.296449775430.535748757195-0.8397060931730.7039421604110.685175201327-0.118822592625-0.1760055837850.522098847849-0.08570576993231.04385411796-62.11712626575.2939953387658.2817810902
145.260726243992.62986192633-3.074087422071.33372931025-1.625310725869.26868694424-0.05240729674120.349747433509-0.072720856790.0039244338329-0.134045284375-0.343483784821-0.3426170804650.1513112026360.3450805055750.5042856402540.0225347430758-0.1913870210540.3949711319020.05773149088660.922585738744-45.55393611212.612287417943.8266941965
158.224001494954.46053909832-1.198612282274.037203521852.066889390875.57074299374-0.1380763106860.654074631307-0.89270147068-0.179813267425-0.0786293441272-0.3504558408241.145940012760.05817114799460.1888984687720.5911897352360.0901293866165-0.3362841650880.376706381678-0.1120471097961.0103454192-47.10467414762.8132717589541.9608990459
169.785171059880.7857956746390.1774893770773.25614805695-4.677682456486.91489252308-0.405091072364-0.5024930671181.658138346390.8404076966850.297083261341-0.752676965147-1.26044134546-0.18246500449-0.04827187665740.6931321887630.126789849229-0.2569488655440.690177657395-0.1978675967641.4259058357-4.8442490160559.018011611924.8086760196
174.28720089206-1.22139324579-0.9351321352936.22254349329-0.6201123025012.875964276710.0352359964847-0.2537626368150.784860735985-0.2521427563620.2975480596570.833850153086-0.255490004065-1.006097079150.01670839075650.3025803235880.1040107688720.05818136372590.988007490244-0.08167865572010.551741290319-15.736338681346.630560438425.9224235403
182.79355584217-1.94575282136-1.594441960053.51276045671.129610808282.37563297866-0.192576307922-0.4934472743620.4497248675160.1521506691310.138092077191.16979159992-0.586428637535-0.786718006295-0.1458248150540.3282222573010.1387588420980.04888224814081.10762384613-0.1294542153620.780775436001-19.401174957347.244781690931.0578489982
192.852079215650.403734413953-2.553050316346.24612497333-2.437275104393.57214319168-0.6023590363530.83897944920.241997434704-0.4506032736750.38094552274-0.1972515155290.0271023865775-1.216785790730.1606026162910.4556346758670.169397003246-0.1150503594761.16271587648-0.004646128909341.10929538885-23.832222719847.545167702713.2666555861
205.080734969550.4651009920241.01023483242.311088788480.70500418571.285716405470.1607472457210.6436427493240.391837852952-0.582872235296-0.08640584103180.5420445887530.0104601007629-0.723060241057-0.1029808104630.4111675947260.217886679714-0.1649831140490.835475313594-0.08389462564910.744257999143-13.554689481944.216963483910.548218388
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380.261560522423-0.287516649684-0.1702833142993.53349622997-0.03847540300380.1221860971570.140879268678-0.259242462295-1.135687996760.6438007928450.807977339853-1.006553897060.3372546271640.286103962585-0.6683638986760.5926270902920.114308796467-0.3509563442860.833869546953-0.2689272454722.0970512555-30.980082201156.982626105231.1478830228
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405.267017375950.227902226812-0.3774803748560.370994292810.3800787628942.603915982460.1947308530010.5191617066830.3765744718180.08218781461490.0142011169149-0.3707576846720.1392306288150.246893872177-0.08607823462450.2970005180780.110990118831-0.218183419070.666122521321-0.05186519356631.22648215103-43.981985941765.673925622732.9876454679
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426.28115110672-3.325535761320.003856959392766.267267442883.683098416526.21465238574-0.198757851611-0.0345060493448-0.6306147287771.007680648930.117867728650.1176372098450.5545390065230.1036344000290.05250736277430.5502819988620.0148022205659-0.2176850477260.521163551795-0.1500980019980.977258421125-59.531947459559.602379007540.636752623
432.26139514985-1.936478525571.11900237883.379488947990.02177340722386.308825039120.5426293067661.298100921940.6626442963230.211845916818-0.60926893486-0.338796897102-0.000830272694202-0.105410855731-0.113059767920.2791884234670.131115415726-0.00750234965020.800141616488-0.09560227403940.805867943188-51.494710848166.646120402621.9428555271
442.63952817519-0.08675148413290.5534661375036.66568589563-1.234144721412.416975937810.04072516344931.197786115141.107290012490.1825108420460.0927280495569-0.360311298618-0.379610774356-0.51454289690.1192335614130.2935421620080.077879176084-0.05309825891680.792230229079-0.003780048442121.07993053908-54.13601669473.035365288529.7990685925
452.654431245740.5247817695050.4144890605132.342685166870.08083475976472.452241129180.07982979213211.51186307659-0.8329441163050.0995410011388-0.1577358028640.2433865800730.615792561411-0.31901106984-0.1796920745740.5376078931630.164783414597-0.3947024459811.22420613756-0.5302673866621.41668705486-62.804971543249.832544903417.2305566781
462.065981511150.3159482920442.924688351464.569500486730.2307249263074.153932055830.1589923123082.61470156608-0.586577266199-0.6142076543250.256882258096-0.2822229613260.6344434717880.473607906093-0.4392172401290.8949993385550.0766278967774-0.1278295990522.44209122786-0.796989619161.26429805725-52.942084823955.11065291183.39802047606
473.399566725750.5209214773733.400463547930.1521069162480.4765035328753.410464434570.1180559836890.318912078136-0.422547908568-0.2377902362550.19964082022-0.1180094180140.608011633297-0.201182555428-0.8464095836560.610854638299-0.0227747404806-0.4877717325071.50386819434-0.77890217151.55271675302-59.927766646745.15015896968.68853929812
483.20133484314-1.58626404592-0.2992025413672.027637761570.04540088116480.03466878980470.2426951644463.04271185076-0.323433268712-2.01202741772-0.04165043197520.4356935918680.488907861279-0.92693921598-0.5311206033021.02812892813-0.0636721119142-0.2035699897232.06392072032-0.2225550904171.03656057845-74.913270494952.007856942-1.20736231237
492.423668690541.26168371081-0.2136581581221.10144433952-0.4473882528670.264529680564-0.0193821406341.154851321190.0447310234324-0.71207228282-0.1026248303970.4379203765280.416269971274-0.223679340843-0.285770164950.4227570809460.190447072915-0.6232358994891.69740814507-0.5718914351751.40124359974-73.785660500260.34824707769.65571736113
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523.32670553766-0.06142206638160.6847987918711.70960744596-1.301365187381.1184864621-0.1430400331520.4255959592230.0384094469913-0.113773143139-0.3352119217320.4229363491750.119232656886-0.249672985457-0.9183302758890.340149276960.450737742946-0.4257437695771.21616736947-0.3611866105951.05839525879-71.726205583765.31990550423.4449886307
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540.6344922434950.03870969883910.5061158919080.04252756431210.0421274937830.4007573909510.212304605512-0.088613321378-0.849693743022-0.3921489195930.2885438562540.1870972193840.369720279573-0.0836556375370.1006183162230.9712456310910.017448713354-0.6158063305770.331092011084-0.1414294041.39134475966-29.3531778144.794207744468.7967873014
555.580689491653.206817244180.4373987355972.461308396971.137951086181.315896635480.1888871021240.451727104936-0.477355138481-0.579306931979-0.2321582327030.2749405091480.0830893927419-0.3841053553310.01919830732280.779814389379-0.0210494685271-0.4870259955180.2306131813010.03957172105070.966380474019-33.491120178958.295028673362.874687998
565.544089092462.15903945032.047202860213.489134870250.6375263979742.081000753320.4297402062240.9493691202350.113784683926-1.21999959745-0.01741227978420.676696571875-0.1516107618180.306040111491-0.402639081771.312939798650.135884933954-0.6868532051980.629408205959-0.06803212832451.24135229699-31.763665995666.955977297854.8429001163
575.20476779651-3.477193465962.379739410485.680743649520.6465740096762.66365221343-0.09757002776270.8507912212710.428957173698-0.310904582252-0.0911690137847-0.375795077725-0.1855489021330.475876278792-0.07910579664140.6854596635540.0107405464155-0.2069398660570.3747404083160.003660672246640.972429765412-15.928557258568.067092298262.2933175348
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精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 13 )
2X-RAY DIFFRACTION2chain 'A' and (resid 14 through 62 )
3X-RAY DIFFRACTION3chain 'A' and (resid 63 through 103 )
4X-RAY DIFFRACTION4chain 'A' and (resid 104 through 116 )
5X-RAY DIFFRACTION5chain 'A' and (resid 117 through 154 )
6X-RAY DIFFRACTION6chain 'A' and (resid 155 through 186 )
7X-RAY DIFFRACTION7chain 'A' and (resid 187 through 233 )
8X-RAY DIFFRACTION8chain 'A' and (resid 234 through 250 )
9X-RAY DIFFRACTION9chain 'B' and (resid 1 through 13 )
10X-RAY DIFFRACTION10chain 'B' and (resid 14 through 108 )
11X-RAY DIFFRACTION11chain 'B' and (resid 109 through 154 )
12X-RAY DIFFRACTION12chain 'B' and (resid 155 through 187 )
13X-RAY DIFFRACTION13chain 'B' and (resid 188 through 213 )
14X-RAY DIFFRACTION14chain 'B' and (resid 214 through 232 )
15X-RAY DIFFRACTION15chain 'B' and (resid 233 through 250 )
16X-RAY DIFFRACTION16chain 'C' and (resid 2 through 31 )
17X-RAY DIFFRACTION17chain 'C' and (resid 32 through 60 )
18X-RAY DIFFRACTION18chain 'C' and (resid 61 through 95 )
19X-RAY DIFFRACTION19chain 'C' and (resid 96 through 123 )
20X-RAY DIFFRACTION20chain 'C' and (resid 124 through 154 )
21X-RAY DIFFRACTION21chain 'C' and (resid 155 through 172 )
22X-RAY DIFFRACTION22chain 'C' and (resid 173 through 213 )
23X-RAY DIFFRACTION23chain 'C' and (resid 214 through 250 )
24X-RAY DIFFRACTION24chain 'D' and (resid 1 through 13 )
25X-RAY DIFFRACTION25chain 'D' and (resid 14 through 74 )
26X-RAY DIFFRACTION26chain 'D' and (resid 75 through 95 )
27X-RAY DIFFRACTION27chain 'D' and (resid 96 through 108 )
28X-RAY DIFFRACTION28chain 'D' and (resid 109 through 123 )
29X-RAY DIFFRACTION29chain 'D' and (resid 124 through 135 )
30X-RAY DIFFRACTION30chain 'D' and (resid 136 through 154 )
31X-RAY DIFFRACTION31chain 'D' and (resid 155 through 172 )
32X-RAY DIFFRACTION32chain 'D' and (resid 173 through 187 )
33X-RAY DIFFRACTION33chain 'D' and (resid 188 through 232 )
34X-RAY DIFFRACTION34chain 'D' and (resid 233 through 250 )
35X-RAY DIFFRACTION35chain 'E' and (resid 2 through 31 )
36X-RAY DIFFRACTION36chain 'E' and (resid 32 through 74 )
37X-RAY DIFFRACTION37chain 'E' and (resid 75 through 95 )
38X-RAY DIFFRACTION38chain 'E' and (resid 96 through 108 )
39X-RAY DIFFRACTION39chain 'E' and (resid 109 through 123 )
40X-RAY DIFFRACTION40chain 'E' and (resid 124 through 154 )
41X-RAY DIFFRACTION41chain 'E' and (resid 155 through 172 )
42X-RAY DIFFRACTION42chain 'E' and (resid 173 through 213 )
43X-RAY DIFFRACTION43chain 'E' and (resid 214 through 233 )
44X-RAY DIFFRACTION44chain 'E' and (resid 234 through 250 )
45X-RAY DIFFRACTION45chain 'F' and (resid 2 through 62 )
46X-RAY DIFFRACTION46chain 'F' and (resid 63 through 74 )
47X-RAY DIFFRACTION47chain 'F' and (resid 75 through 95 )
48X-RAY DIFFRACTION48chain 'F' and (resid 96 through 108 )
49X-RAY DIFFRACTION49chain 'F' and (resid 109 through 154 )
50X-RAY DIFFRACTION50chain 'F' and (resid 155 through 172 )
51X-RAY DIFFRACTION51chain 'F' and (resid 173 through 232 )
52X-RAY DIFFRACTION52chain 'F' and (resid 233 through 250 )
53X-RAY DIFFRACTION53chain 'G' and (resid 2 through 31 )
54X-RAY DIFFRACTION54chain 'G' and (resid 32 through 108 )
55X-RAY DIFFRACTION55chain 'G' and (resid 109 through 154 )
56X-RAY DIFFRACTION56chain 'G' and (resid 155 through 172 )
57X-RAY DIFFRACTION57chain 'G' and (resid 173 through 213 )
58X-RAY DIFFRACTION58chain 'G' and (resid 214 through 250 )

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万見について

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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

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