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- PDB-8f8w: Crystal structure of Nb.X0 bound to the afucosylated human IgG1 f... -

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基本情報

登録情報
データベース: PDB / ID: 8f8w
タイトルCrystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form I
要素
  • Nb.X0
  • afucosylated IgG1 fragment
キーワードIMMUNE SYSTEM (免疫系) / nanobody (ナノボディ) / glycobiology (糖鎖生物学) / immunoglobulin (抗体)
機能・相同性
機能・相同性情報


immunoglobulin complex, circulating / immunoglobulin receptor binding / complement activation, classical pathway / antigen binding / antibacterial humoral response / blood microparticle / extracellular exosome / metal ion binding / 細胞膜
類似検索 - 分子機能
Immunoglobulin V-Type / Immunoglobulin V-set domain / Immunoglobulin V-set domain / Immunoglobulin subtype / 抗体 / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain ...Immunoglobulin V-Type / Immunoglobulin V-set domain / Immunoglobulin V-set domain / Immunoglobulin subtype / 抗体 / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold
類似検索 - ドメイン・相同性
Uncharacterized protein DKFZp686C11235
類似検索 - 構成要素
生物種Homo sapiens (ヒト)
Camelidae mixed library (哺乳類)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.71 Å
データ登録者Goldgur, Y. / Ravetch, J. / Gupta, A. / Kao, K. / Oren, D.
資金援助 米国, 3件
組織認可番号
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)T32GM007739 米国
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)U19AI111825 米国
Bill & Melinda Gates FoundationINV-034057 米国
引用ジャーナル: Nat Commun / : 2023
タイトル: Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
著者: Gupta, A. / Kao, K.S. / Yamin, R. / Oren, D.A. / Goldgur, Y. / Du, J. / Lollar, P. / Sundberg, E.J. / Ravetch, J.V.
履歴
登録2022年11月22日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02023年3月29日Provider: repository / タイプ: Initial release
改定 1.12023年10月11日Group: Data collection / Database references
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _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

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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: afucosylated IgG1 fragment
B: afucosylated IgG1 fragment
C: Nb.X0
D: Nb.X0
E: afucosylated IgG1 fragment
F: afucosylated IgG1 fragment
G: Nb.X0
H: Nb.X0
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)159,12212
ポリマ-153,8538
非ポリマー5,2694
34219
1
A: afucosylated IgG1 fragment
B: afucosylated IgG1 fragment
C: Nb.X0
D: Nb.X0
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)79,5616
ポリマ-76,9274
非ポリマー2,6342
543
タイプ名称対称操作
identity operation1_555x,y,z1
2
E: afucosylated IgG1 fragment
F: afucosylated IgG1 fragment
G: Nb.X0
H: Nb.X0
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)79,5616
ポリマ-76,9274
非ポリマー2,6342
362
タイプ名称対称操作
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)170.636, 170.636, 126.419
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number169
Space group name H-MP61
Space group name HallP61
Symmetry operation#1: x,y,z
#2: x-y,x,z+1/6
#3: y,-x+y,z+5/6
#4: -y,x-y,z+1/3
#5: -x+y,-x,z+2/3
#6: -x,-y,z+1/2
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
d_1ens_1(chain "A" and (resid 238 through 268 or resid 270 through 317 or resid 319 through 507))
d_2ens_1(chain "B" and (resid 238 through 268 or resid 270 through 317 or resid 319 through 507))
d_3ens_1(chain "E" and (resid 238 through 268 or resid 270 through 317 or resid 319 through 507))
d_4ens_1(chain "F" and (resid 238 through 268 or resid 270 through 317 or resid 319 through 507))
d_1ens_2chain "C"
d_2ens_2chain "D"
d_3ens_2chain "G"
d_4ens_2chain "H"

NCSドメイン領域:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1PROHISA2 - 32
d_12ens_1ASPLYSA34 - 81
d_13ens_1TYRLEUA83 - 207
d_14ens_1NAGNAGI
d_15ens_1NAGNAGI
d_16ens_1BMABMAI
d_17ens_1MANMANI
d_18ens_1NAGNAGI
d_19ens_1MANMANI
d_110ens_1NAGNAGI
d_21ens_1PROHISB2 - 32
d_22ens_1ASPLYSB34 - 81
d_23ens_1TYRLEUB83 - 207
d_24ens_1NAGNAGJ
d_25ens_1NAGNAGJ
d_26ens_1BMABMAJ
d_27ens_1MANMANJ
d_28ens_1NAGNAGJ
d_29ens_1MANMANJ
d_210ens_1NAGNAGJ
d_31ens_1PROHISE1 - 31
d_32ens_1ASPLYSE33 - 80
d_33ens_1TYRLEUE82 - 206
d_34ens_1NAGNAGK
d_35ens_1NAGNAGK
d_36ens_1BMABMAK
d_37ens_1MANMANK
d_38ens_1NAGNAGK
d_39ens_1MANMANK
d_310ens_1NAGNAGK
d_41ens_1PROHISF3 - 33
d_42ens_1ASPLYSF35 - 82
d_43ens_1TYRLEUF84 - 208
d_44ens_1NAGNAGL
d_45ens_1NAGNAGL
d_46ens_1BMABMAL
d_47ens_1MANMANL
d_48ens_1NAGNAGL
d_49ens_1MANMANL
d_410ens_1NAGNAGL
d_11ens_2GLNSERC1 - 120
d_21ens_2GLNSERD1 - 120
d_31ens_2GLNSERG1 - 120
d_41ens_2GLNSERH1 - 120

NCSアンサンブル:
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixベクター
1given(0.604395545543, -0.743498126272, -0.28621069295), (-0.75705659484, -0.647883111921, 0.0843373315748), (-0.248135722414, 0.165704585085, -0.954447826622)4.28306269299, -8.45382562669, 51.3128463487
2given(0.994540130191, -0.0101430140308, -0.103860717821), (0.0126323119695, 0.999647819682, 0.0233379797549), (0.103587422664, -0.0245225584127, 0.994318002449)4.08159055766, 1.13405049461, -51.2143684077
3given(0.614200472167, -0.742726997171, -0.26667281013), (-0.75529992209, -0.651183091313, 0.0740446438269), (-0.228647780836, 0.155939697515, -0.960938605249)4.14779080769, -6.1095031241, -2.65470677844
4given(0.648315730478, -0.710705644306, -0.273101081591), (-0.664456909752, -0.70327008312, 0.252800722451), (-0.371730720681, 0.0175692156826, -0.92817433382)8.03830112279, -9.68720142898, 45.2735438877
5given(0.99971538205, 0.0121002437404, 0.0205606175713), (-0.014492181472, 0.992609388335, 0.120484766112), (-0.0189507669943, -0.120748442186, 0.992502232814)-1.72843075956, -4.64118881791, -54.4591503433
6given(0.761137955499, -0.609702923974, -0.221204333585), (-0.591601836349, -0.792429888585, 0.148533292247), (-0.265850108008, 0.0178105635732, -0.963849834724)12.3779146517, 3.86390779341, -5.84652843046

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要素

#1: 抗体
afucosylated IgG1 fragment / Uncharacterized protein DKFZp686C11235


分子量: 25357.752 Da / 分子数: 4 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: DKFZp686C11235 / 発現宿主: Homo sapiens (ヒト) / 参照: UniProt: Q6MZV7
#2: 抗体
Nb.X0


分子量: 13105.541 Da / 分子数: 4 / 由来タイプ: 組換発現 / 由来: (組換発現) Camelidae mixed library (哺乳類)
発現宿主: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (大腸菌)
#3: 多糖
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


タイプ: oligosaccharideオリゴ糖 / 分子量: 1317.209 Da / 分子数: 4 / 由来タイプ: 組換発現
記述子タイププログラム
DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-1-3-1/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f2-g1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][b-D-GlcpNAc]{}}[(6+1)][a-D-Manp]{[(2+1)][b-D-GlcpNAc]{}}}}}LINUCSPDB-CARE
#4: 水 ChemComp-HOH / water /


分子量: 18.015 Da / 分子数: 19 / 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

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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: 3.45 Å3/Da / 溶媒含有率: 64.38 %
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
詳細: 0.1 M Sodium HEPES 7.5 20 % w/v PEG 8000. Cryopreserved with 12.5% glycerol.

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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: 2022年9月9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: 2.71→50 Å / Num. obs: 56766 / % possible obs: 98.2 % / Observed criterion σ(I): -3 / 冗長度: 4.6 % / Biso Wilson estimate: 76.11 Å2 / CC1/2: 1 / Rpim(I) all: 0.035 / Net I/σ(I): 31.1
反射 シェル解像度: 2.71→2.75 Å / Mean I/σ(I) obs: 1.5 / Num. unique obs: 2863 / CC1/2: 0.604 / Rpim(I) all: 0.522

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解析

ソフトウェア
名称バージョン分類
PHENIX1.20.1_4487精密化
HKL-2000データ削減
HKL-2000データスケーリング
PHENIX位相決定
精密化構造決定の手法: 分子置換 / 解像度: 2.71→45.9 Å / SU ML: 0.4071 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 31.6671
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.2413 2013 3.55 %
Rwork0.2076 54753 -
obs0.2088 56766 99.67 %
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
原子変位パラメータBiso mean: 93.28 Å2
精密化ステップサイクル: LAST / 解像度: 2.71→45.9 Å
タンパク質核酸リガンド溶媒全体
原子数10328 0 356 19 10703
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.014510956
X-RAY DIFFRACTIONf_angle_d2.177514897
X-RAY DIFFRACTIONf_chiral_restr0.08581692
X-RAY DIFFRACTIONf_plane_restr0.01951873
X-RAY DIFFRACTIONf_dihedral_angle_d8.08161652
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDタイプRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS1.45823018373
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS1.08982742001
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS1.81100560607
ens_2d_2CX-RAY DIFFRACTIONTorsion NCS1.23262457863
ens_2d_3CX-RAY DIFFRACTIONTorsion NCS1.12033035228
ens_2d_4CX-RAY DIFFRACTIONTorsion NCS1.31496324748
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.71-2.780.36261390.34683765X-RAY DIFFRACTION96.66
2.78-2.850.39211400.32293908X-RAY DIFFRACTION99.98
2.85-2.930.34031460.30913922X-RAY DIFFRACTION99.98
2.93-3.030.37181440.31133881X-RAY DIFFRACTION99.98
3.03-3.140.34291370.31333921X-RAY DIFFRACTION99.95
3.14-3.260.34331400.2833902X-RAY DIFFRACTION99.9
3.26-3.410.30361450.25313935X-RAY DIFFRACTION99.88
3.41-3.590.33481430.253907X-RAY DIFFRACTION99.93
3.59-3.820.32161440.24313900X-RAY DIFFRACTION99.83
3.82-4.110.23371450.20663936X-RAY DIFFRACTION100
4.11-4.520.20521480.16963931X-RAY DIFFRACTION100
4.52-5.180.17941420.15633939X-RAY DIFFRACTION100
5.18-6.520.18711450.17643929X-RAY DIFFRACTION100
6.52-45.90.18431550.16623977X-RAY DIFFRACTION99.33
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)
13.073404638621.021306728191.04848568451.872901985340.1813823639790.894821914067-0.1637250443561.329437339820.24022882923-0.2651403129190.0576616917081-0.293341010104-0.128622090818-0.317021400976-0.01739420337580.6124823170660.000661547154969-0.03687824947570.8035241402180.1164444278540.761599107467-47.252915741634.95699683126.7202533234
26.281460559393.543657601651.547242133273.993880730121.778857958972.050657478910.469486956349-1.15025253161.100229373310.0404064577622-0.6843514791921.5150517983-0.152114111089-1.221422131790.111459511540.6111551718030.0785475221718-0.008290139579250.9140160322170.1680942678570.987025216784-63.977666957441.393045898129.039990557
33.806030669660.226804690814-0.6937920498692.676440842610.408699509060.44205808353-0.08115500603220.7876668196590.04834179042820.2632642114050.283317230232-0.517417659099-0.310204744234-0.345729683248-0.1994588640460.787642789720.0102758089551-0.07300694741021.024304511840.1924540577690.658126770194-59.977162792438.275317416524.3073156592
45.341170346720.125427779279-0.4106178394962.459039906310.08089222476360.861678352139-0.29850636535-0.05557976977140.8666610732050.1602012165840.313221279066-0.280942040008-0.326154535951-0.1600543724320.1010545643520.7189997755180.0475775688431-0.004056699043960.8411585637710.09344016562590.807808652141-51.823868202341.710329412632.6443068753
54.39036238773-0.08601458982760.07174181434064.1297541956-0.260163584333.079920226170.0494878076434-0.197478342258-0.6459997208470.1555103755950.088107812219-0.878582870630.5508571317040.279309765113-0.04332592914640.603287397001-0.0332542566760.01377183385190.6810048776260.1292038712711.02463242853-29.685227952815.648711967930.0182019214
63.26419519983-0.7540924127310.1215855679794.55822655020.6707569035321.32537766418-0.0689133419980.380507382343-0.0161987870225-0.5774519336880.0250760420278-0.1006166958770.0006329205416510.1885564716580.1066954311430.646384437004-0.0794999119581-0.001530207420330.6631429148470.08417522308460.801606880359-31.525419688218.532482714124.7622883536
72.2851980781-2.09150707467-1.372963315432.242554206471.889718233283.034594752630.4628941588150.564706136820.0934196432433-0.605449118321-0.628366443772-1.4025538245-0.1968151840350.1799574713120.2956531109010.701078394066-0.133240684550.1786873638190.8519163880650.1188949416251.04197526734-23.0822125224.124901273224.3395685223
85.19503080097-0.855540032628-1.178972497324.998171924731.603174182913.0937179656-0.256454724267-0.1827530212860.1721750609690.504273608690.02390985044430.1758933658670.0741989460089-0.6777602875560.204647686140.7677394219660.0490699053589-0.03125003728560.743349620601-0.01273374692540.800800426011-66.258257220210.161693494644.0371068562
94.193148804870.5170773457110.7384112932164.91032102524-0.3711126430273.237904555760.141821591993-0.147644898017-0.2264930347260.0720017903995-0.0843184705743-0.5475569819140.1898377423880.246003428968-0.008903475425350.727528404407-0.0142997023277-0.009903496621780.635421830730.114516188860.959142168287-34.40023164754.4053971319836.4642286851
107.703199175661.230105788584.800369044324.57329031227-0.06704294902415.56436379183-1.361525567491.114310366230.659760326902-1.41801427247-0.03530184780990.583689012613-2.144261513870.230241256431.0776156671.275538984510.389270919162-0.01852336916511.09855587044-0.003112980503080.988010147641-70.17375479151.333490095453.3046339862
110.76382798083-1.194380368560.3025142929263.55810715535-1.583648931943.55717464311-0.279345267459-0.8246100073250.2326627467041.34842701746-0.1268196972010.1337988791450.0548190224242-0.649031960490.5799018664440.8515806432560.3383070556380.04119401477630.761113822892-0.09603868836750.669599705793-66.836725589345.745976524959.8211000485
122.47672657035-0.4388823460610.1965152928974.79976165211.124458208354.977617935540.417026213010.6270518492450.12899402947-0.806848243963-0.554099768354-0.875294066968-0.5332837712830.4863297113610.3740641501081.051071369580.2492784654590.1095680512620.9313159894470.02412936682340.91776504715-56.151653414646.084612689952.7682096468
132.91227344019-2.771691462690.7172620570845.25905653435-0.1070053060083.25709364306-0.0175990589799-0.195507111936-1.005873063890.9593641471550.4626742392271.571472398151.256207508190.385664496114-0.1172714190221.152045631190.260446393402-0.09582115378870.834443609644-0.07351209606110.916906787331-63.322521429835.549544204456.7577937615
145.690818549262.542961286510.5149910537464.79492441131.141100296233.75451919724-0.4699533567920.379254567484-0.4907655455880.03291393826080.624849529032-0.9136811559770.4596957790650.532656580497-0.1788559720151.205582118780.326046620292-0.1525511629410.911259247050.002738819846091.18708332917-55.361955339435.929092680560.3901842175
150.0593306897556-0.4091176809370.0525583559563.03754965934-0.1557770405874.86719022618-0.37268736839-0.625704877172-0.2003400763240.9051105956890.227340556931-0.1219977163390.1996669931570.1509157335960.1028872420231.210640672850.343597020417-0.05274961094720.934974978613-0.03693977764070.765826210566-61.292720384643.262144946763.8670972448
162.618399349720.6258700336530.4612072662861.872747849880.2722370466471.50951451034-0.4134175690971.42942979192-0.924980486401-0.4248521268840.445143747776-0.3514208509430.4784232770240.3803056523930.0965664131430.7568929702850.317821144137-0.01921187049431.07942885009-0.2731109194110.657774232774-61.931259103942.320359271649.087213509
171.6215068651-1.499011462670.0521759446673.83171552777-1.472619250714.76700303753-0.28813187866-1.226434812650.8100242563990.5653089468661.16563104049-0.978676139799-0.5221255075581.56796985193-0.6612377692290.9751484196650.196984365731-0.2728178412681.18061196783-0.250748322680.778138671478-54.02354007355.700904591963.0351754761
184.413147102741.064288624010.04008564063744.72646197893-1.512745076331.20424179724-0.0760595139577-0.516899850111-0.4255472885-0.1582616572550.333827387040.9477088156230.998135328280.797820390538-0.1758790446560.97260172398-0.1222211314160.08132686788861.017964567270.2075244853990.850025805039-86.734293342411.163334743814.1865274099
192.728406151351.119675911620.9570885616592.00844720873-0.5925499965332.84582014613-0.735292382265-0.4022544738040.813395664443-0.0545997797412-0.1433631254570.905549294413-0.179169232561-0.5984806873960.3637573642750.670990650073-0.0904833576589-0.0453470879791.43887259050.2043426603011.01001698961-83.967150655622.264406369621.0044813342
203.469549001980.5700526743270.7988777711962.658439431630.6550691354893.33258789112-0.126439014688-0.533579288955-1.34668196006-0.3718590573520.6358298469850.122621211211.798142717940.600468371971-0.7053621014351.228847589770.0204881836749-0.04953008228431.065890461280.04522105009160.846282673731-74.96758311710.53654223217.3906435719
212.088326191041.356478519030.7086198971633.06961294992-1.144521508492.33286143006-0.1294732152590.110358027669-0.259704979602-0.9229095842650.199660261835-0.2721654618070.313256932346-0.3130029540490.1424072901790.865028469464-0.1046050551050.02760653831041.12952542790.1470714359610.671235340921-77.381625436621.209986389712.4785559064
223.40010272855-0.5863977754370.7107947910063.618512121040.5395346864153.342111712910.0369104303132-0.646880561283-0.7271802693570.178160592410.355578778381-0.769185885191.348419841150.157232048862-0.08061822038880.838612394463-0.06399528910810.01638852969541.008637266730.1069941428120.744609600728-77.473524580610.72598043216.858837638
233.03732948321.028379108310.3730111426883.92266321613-1.39734489721.07226723388-0.2809507216690.918833115342-0.468890594387-0.250354136907-0.00912542787539-0.66383012611-0.28556199797-0.1404627957940.1395627735360.598031748867-0.0401466068392-0.04601923770080.7599741177740.08118998813730.687827829485-45.435694987736.122678336-30.6057938157
245.240780410650.6168728716291.353916516725.387597138750.673904292363.45294114943-0.3400790217070.4222212427740.539664065298-0.3735262967540.4466980040930.205482781017-0.305500675783-0.571769295248-0.1571747067310.7011367337040.009713682763340.02613500090130.9363118717860.117463502430.734690173993-60.259224301540.3132618049-32.5543220729
252.427286625290.0754151132080.03113346158263.458889696320.9510509953763.76469134712-0.136258371855-0.7629729878450.7592012141250.724159009482-0.0563125385094-0.232533324067-0.711877907253-0.5141143714280.1799187166320.696675258260.0796828619583-0.07708586138830.835056977466-0.05587419466490.715547714599-51.228972308542.638426648-24.982848653
264.44434369877-1.89681291740.8552959001223.34427774302-2.278120061472.8848817576-0.312956917856-0.508786415503-0.6387607727421.02768357392-0.176407677632-0.7676822006370.6740217270080.5965423310730.4120070958270.821762690458-0.09287818635390.1457176564630.8264984197510.2054055912831.19363667408-28.737658590117.7172694437-24.1439524653
273.80828060787-0.938999322166-0.6136241856494.56556989714-0.6261458019042.58374563749-0.4366401693450.2933563958350.102537547303-0.8304360316460.217962279463-0.7687529325640.09397671213940.3663597488170.2050561721840.693256284548-0.1080746979910.08499598137210.7102961482210.04695192477090.982964039708-30.781153550421.4332559322-27.5821628782
283.46807318732-0.373712575270.1845692975795.95315150396-1.081027849522.96055226096-0.2390345050250.30065388859-0.156244163769-0.7993895847830.0370261972522-0.9851421943390.2525549833750.5693803839990.3724812182220.715276203964-0.05633818092420.1089404181290.7739180481040.08547228385480.970193952735-28.329248217219.9051144591-30.4952677022
293.6318362952-0.0390403565961-2.381250236893.994056260594.252359654595.66327273666-0.687368340509-1.47721403616-0.551886497720.8605926381140.7886042130740.6597364070360.3710091212060.220306200583-0.04599330997080.7578584654420.07834422180580.0728218837540.7368411205790.2303649147240.991483684344-62.851126717713.61503668-11.1204513492
303.50566869442-1.19474440668-0.3012564628061.40488755116-1.005895874141.61370540329-0.280036817841-0.827393560887-1.240491001760.8743828967390.1518328850970.8121072149160.54042603863-0.789811789786-0.03426653998181.067582357130.09865104519570.3350900076171.299998491370.3463107684391.58533357693-69.197143357813.4421756778-7.65512927141
312.956658956470.102734453026-1.371146259361.22398983160.9432331047111.70678064251-0.440405001507-0.278234928794-1.610356103650.03260045109990.03898052581321.670366460310.0307664394617-0.4079585274980.3457746947310.7668513399510.07229973897880.04330915355630.803623661170.2232932355761.41613875977-67.72609795179.43655335371-14.4392073103
325.040023039570.50887147055-0.0758704777094.60028695918-0.002966724168353.1891486825-0.1293474614540.0938628389906-0.662987995156-0.602585109221-0.0507099771373-0.979760705946-0.07065254401440.4711348066370.3616009011550.914072203204-0.02068965815830.06006456545350.7698519720720.2453096791531.0556527537-33.37552244787.68133459907-22.9094080231
333.586667547780.643401716388-0.4700915494985.69102600668-0.5965816561772.56228928850.0885174264362-0.323145862231-0.437193630150.429301206235-0.187365208133-1.010958789930.4365121457640.3699363746220.1532172860360.844050331331-0.0180913980064-0.04509852384620.7099377698080.1662217964631.12019621602-34.52012659475.87831575862-16.9789533701
348.88023285134-0.917024620884.27456312967.37790233466-0.1948908940784.42343418194-0.3474381613330.9434468806060.727519808149-0.9176600690380.02555544764131.24999421296-1.47933927756-0.9710461857790.01773775989731.228272113220.403857192615-0.03257501459171.37973711899-0.1895941897621.24571150289-71.027975981252.8407587857-7.96573605546
352.31089199799-0.5223732670220.1657016795282.74989355078-0.3893774754783.129174967620.398374170089-0.5676491254740.71856978021.16117019504-0.486273415572-0.02342375684620.294175072920.5560365788230.04590404158991.218895112170.546403266951-0.1933911384941.83267439943-0.3770854045671.14428053063-61.06023143454.55089153535.57331996449
361.55165812926-0.8950339036761.04688543992.016920758760.3109241490083.58109127918-0.6044294319270.00837266984169-0.0161776642472-0.05867839617220.1118650212880.882742983484-0.15374398909-0.8302379049160.2172711586820.9846879803520.3223740342760.08036617116891.07125698954-0.08176190929091.00536203065-67.884656074343.2242276225-5.84335110509
377.857603409824.73409837865-2.624361166027.268912848811.485797353433.014115474670.938750608043-0.5455409064710.742428700089-0.571710812135-0.69835506558-0.9404947385490.3294738730490.993180207592-0.05416565985981.315016617480.0120460655990.1456912489131.79791384043-0.1628520226771.14967466206-50.88330161551.3927429629-9.69266802082
381.697349532810.1287149069690.3450306891513.63355112095-0.6685440370863.031139318-0.323292039788-0.785271037455-0.1890793024781.275387631680.2875004826030.05672263580350.427422872740.188378757786-0.10882540571.021085833930.3634057793070.1271311984581.15598535087-0.04056413128670.736423806094-59.924133110738.71367308180.243447694518
392.88822934376-1.428493225792.054914522613.953303404830.08992428865691.89327613705-0.629882377544-1.08306853227-0.5915036271542.008148219430.5171885220180.6005886241250.851571120905-0.2587667830620.1417415156071.229517323240.4052857526970.114133155761.43117734719-0.03091125501230.688004811123-63.899281371945.34497973735.07430065751
400.3467883642340.3550268205720.651219477962.07869256730.9732380322731.44491381492-0.0944063748788-0.657645250725-0.1619246783570.6759182522690.00133542868688-0.6528650473720.5436043987750.8075057643270.2626160485090.9903723167270.3087242266220.07769682323191.3235164036-0.179178302330.796180573544-56.821344967649.2975366511-3.14246097944
412.249611244491.11955867733-0.4045391160054.891081421390.91330613883.0935104365-0.3500442719250.393691613451-0.503050686233-0.5640915443220.647973944262-0.1190863916120.477504211017-0.183396105325-0.3310191779810.9593331873680.2121011195440.05579047848481.07522587354-0.01983216514450.805076727983-62.562895935542.2658740083-11.6911057284
421.02978994927-1.01829997-0.8066628022872.97668794985-1.331248705552.94461555198-0.00611912146344-2.089343483040.8357293291880.5009269627080.582485020703-1.34516501116-0.3412253591751.10736890878-0.01340508217231.149340263240.239621151107-0.06648758601181.57525406166-0.3325242169770.947273043875-53.884773109859.04410860772.49276347788
433.005048942611.487722567060.8612211926533.84509802885-0.08787201538040.326865332677-0.209654767254-0.796116971261-0.339168484473-0.4352579223160.4166043101720.8537472733020.4340829691870.67331957283-0.165789326081.19743108627-0.365598753187-0.1524171651851.515835592870.2360193646531.03097908567-81.52455662999.07609527383-45.0835771584
442.797990752790.7135375573230.4636752663411.35145189041-0.4745824581392.43069130771-0.3522169851420.2914677171350.311264302347-1.085573518270.2291223527740.344439609318-0.0214493146708-1.506702442930.5741931495991.0282690751-0.337882574153-0.2142989533231.333306043870.1212658436490.972891952768-80.443279572720.4780680725-40.5453490893
453.45024552620.9538914714460.7919101891682.920920413980.8257824463013.15832357170.001509458774820.270145370941-0.4463221117930.1824473682790.17567268734-0.714032469080.6962206803310.192616725616-0.1653697753310.978490597339-0.226356988528-0.1576302596011.04877475371-0.0145302201170.910900263727-68.690001660214.5715636148-44.426538215
461.73840671041.29453278619-0.01925368991841.06845561833-0.3081379524662.308491404670.0735508164417-0.0305835852477-0.37213286262-0.419152637248-0.00816263114065-0.2819306026480.674106760721-0.428758008884-0.05124607666651.18933853095-0.334038137957-0.2078333579611.30512414750.1288892567220.872349629044-75.124560913614.7169836637-46.8847212085
472.383264597650.2185407399981.321167322113.384227249970.2051741919323.06793172230.055644951812-0.434927053537-0.6799868893020.1561524595960.179017984787-0.3753280954421.01202037267-0.215994349227-0.1686285907821.15539991467-0.173914947556-0.023685451241.053087500420.009586973441331.01232762934-72.228351615811.0854658944-39.2470463483
精密化 TLSグループ

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 237 through 264 )AA237 - 2641 - 28
22chain 'A' and (resid 265 through 301 )AA265 - 30129 - 65
33chain 'A' and (resid 302 through 325 )AA302 - 32566 - 89
44chain 'A' and (resid 326 through 346 )AA326 - 34690 - 110
55chain 'A' and (resid 347 through 372 )AA347 - 372111 - 136
66chain 'A' and (resid 373 through 432 )AA373 - 432137 - 196
77chain 'A' and (resid 433 through 443 )AA433 - 443197 - 207
88chain 'B' and (resid 237 through 279 )BB237 - 2791 - 43
99chain 'B' and (resid 280 through 346 )BB280 - 34644 - 110
1010chain 'B' and (resid 347 through 443 )BB347 - 443111 - 207
1111chain 'C' and (resid 1 through 9 )CC1 - 91 - 9
1212chain 'C' and (resid 10 through 32 )CC10 - 3210 - 32
1313chain 'C' and (resid 33 through 56 )CC33 - 5633 - 56
1414chain 'C' and (resid 57 through 83 )CC57 - 8357 - 83
1515chain 'C' and (resid 84 through 100 )CC84 - 10084 - 100
1616chain 'C' and (resid 101 through 113 )CC101 - 113101 - 113
1717chain 'C' and (resid 114 through 120 )CC114 - 120114 - 120
1818chain 'D' and (resid 1 through 16 )DD1 - 161 - 16
1919chain 'D' and (resid 17 through 32 )DD17 - 3217 - 32
2020chain 'D' and (resid 33 through 45 )DD33 - 4533 - 45
2121chain 'D' and (resid 46 through 83 )DD46 - 8346 - 83
2222chain 'D' and (resid 84 through 120 )DD84 - 12084 - 120
2323chain 'E' and (resid 238 through 264 )EE238 - 2641 - 27
2424chain 'E' and (resid 265 through 301 )EE265 - 30128 - 64
2525chain 'E' and (resid 302 through 336 )EE302 - 33665 - 99
2626chain 'E' and (resid 337 through 361 )EE337 - 361100 - 124
2727chain 'E' and (resid 362 through 403 )EE362 - 403125 - 166
2828chain 'E' and (resid 404 through 443 )EE404 - 443167 - 206
2929chain 'F' and (resid 236 through 279 )FF236 - 2791 - 44
3030chain 'F' and (resid 280 through 336 )FF280 - 33645 - 101
3131chain 'F' and (resid 337 through 443 )FF337 - 443102 - 208
3232chain 'G' and (resid 1 through 16 )GG1 - 161 - 16
3333chain 'G' and (resid 17 through 39 )GG17 - 3917 - 39
3434chain 'G' and (resid 40 through 51 )GG40 - 5140 - 51
3535chain 'G' and (resid 52 through 76 )GG52 - 7652 - 76
3636chain 'G' and (resid 77 through 120 )GG77 - 12077 - 120
3737chain 'H' and (resid 1 through 16 )HH1 - 161 - 16
3838chain 'H' and (resid 17 through 32 )HH17 - 3217 - 32
3939chain 'H' and (resid 33 through 63 )HH33 - 6333 - 63
4040chain 'H' and (resid 64 through 83 )HH64 - 8364 - 83
4141chain 'H' and (resid 84 through 120 )HH84 - 12084 - 120

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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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