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- PDB-3gok: Binding site mapping of protein ligands -

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基本情報

登録情報
データベース: PDB / ID: 3gok
タイトルBinding site mapping of protein ligands
要素MAP kinase-activated protein kinase 2
キーワードTRANSFERASE / MK2 / MAPKAP kinase 2 / Isotope labelling / insect cell expression / ATP-binding / Kinase / Nucleotide-binding / Phosphoprotein / Serine/threonine-protein kinase
機能・相同性
機能・相同性情報


macropinocytosis / CREB phosphorylation / Tristetraprolin (TTP, ZFP36) binds and destabilizes mRNA / Butyrate Response Factor 1 (BRF1) binds and destabilizes mRNA / leukotriene metabolic process / Synthesis of Leukotrienes (LT) and Eoxins (EX) / calcium-dependent protein serine/threonine kinase activity / regulation of tumor necrosis factor production / regulation of tumor necrosis factor-mediated signaling pathway / mitogen-activated protein kinase binding ...macropinocytosis / CREB phosphorylation / Tristetraprolin (TTP, ZFP36) binds and destabilizes mRNA / Butyrate Response Factor 1 (BRF1) binds and destabilizes mRNA / leukotriene metabolic process / Synthesis of Leukotrienes (LT) and Eoxins (EX) / calcium-dependent protein serine/threonine kinase activity / regulation of tumor necrosis factor production / regulation of tumor necrosis factor-mediated signaling pathway / mitogen-activated protein kinase binding / positive regulation of macrophage cytokine production / regulation of interleukin-6 production / calcium/calmodulin-dependent protein kinase activity / 3'-UTR-mediated mRNA stabilization / toll-like receptor signaling pathway / p38MAPK cascade / inner ear development / Regulation of HSF1-mediated heat shock response / cellular response to vascular endothelial growth factor stimulus / vascular endothelial growth factor receptor signaling pathway / regulation of cellular response to heat / p38MAPK events / regulation of mRNA stability / response to cytokine / activated TAK1 mediates p38 MAPK activation / Regulation of TNFR1 signaling / VEGFA-VEGFR2 Pathway / MAPK cascade / positive regulation of tumor necrosis factor production / peptidyl-serine phosphorylation / Oxidative Stress Induced Senescence / response to lipopolysaccharide / calmodulin binding / non-specific serine/threonine protein kinase / protein kinase activity / intracellular signal transduction / inflammatory response / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / centrosome / DNA damage response / extracellular exosome / nucleoplasm / ATP binding / nucleus / cytoplasm / cytosol
類似検索 - 分子機能
MAP kinase activated protein kinase, C-terminal / : / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Transferase(Phosphotransferase) domain 1 / Transferase(Phosphotransferase); domain 1 / Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / Serine/Threonine protein kinases, catalytic domain / Protein kinase domain ...MAP kinase activated protein kinase, C-terminal / : / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Transferase(Phosphotransferase) domain 1 / Transferase(Phosphotransferase); domain 1 / Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / Serine/Threonine protein kinases, catalytic domain / Protein kinase domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta
類似検索 - ドメイン・相同性
Chem-P4O / MAP kinase-activated protein kinase 2
類似検索 - 構成要素
生物種Homo sapiens (ヒト)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 3.2 Å
データ登録者Scheich, C.
引用ジャーナル: To be published
タイトル: Binding site mapping of protein ligands
著者: Scheich, C. / Smith, M.A. / Barker, J.D. / Kahmann, J. / Hesterkamp, T. / Schade, M.
履歴
登録2009年3月19日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02010年3月2日Provider: repository / タイプ: Initial release
改定 1.12011年7月13日Group: Advisory / Version format compliance
改定 1.22023年9月6日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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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: MAP kinase-activated protein kinase 2
B: MAP kinase-activated protein kinase 2
C: MAP kinase-activated protein kinase 2
D: MAP kinase-activated protein kinase 2
E: MAP kinase-activated protein kinase 2
F: MAP kinase-activated protein kinase 2
G: MAP kinase-activated protein kinase 2
H: MAP kinase-activated protein kinase 2
I: MAP kinase-activated protein kinase 2
J: MAP kinase-activated protein kinase 2
K: MAP kinase-activated protein kinase 2
L: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)464,02324
ポリマ-459,93912
非ポリマー4,08512
1,15364
1


  • 登録構造と同一
  • ソフトウェアが定義した集合体
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area47010 Å2
ΔGint-140 kcal/mol
Surface area148720 Å2
手法PISA
2
A: MAP kinase-activated protein kinase 2
B: MAP kinase-activated protein kinase 2
C: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)116,0066
ポリマ-114,9853
非ポリマー1,0213
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area7770 Å2
ΔGint-15 kcal/mol
Surface area41260 Å2
手法PISA
3
D: MAP kinase-activated protein kinase 2
E: MAP kinase-activated protein kinase 2
F: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)116,0066
ポリマ-114,9853
非ポリマー1,0213
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area7240 Å2
ΔGint-10 kcal/mol
Surface area41480 Å2
手法PISA
4
G: MAP kinase-activated protein kinase 2
H: MAP kinase-activated protein kinase 2
I: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)116,0066
ポリマ-114,9853
非ポリマー1,0213
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area7670 Å2
ΔGint-15 kcal/mol
Surface area41550 Å2
手法PISA
5
J: MAP kinase-activated protein kinase 2
K: MAP kinase-activated protein kinase 2
L: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)116,0066
ポリマ-114,9853
非ポリマー1,0213
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area7380 Å2
ΔGint-13 kcal/mol
Surface area41360 Å2
手法PISA
6
A: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
7
B: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
8
C: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
9
D: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
10
E: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
11
F: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
12
G: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
13
H: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
14
I: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
15
J: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
16
K: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
17
L: MAP kinase-activated protein kinase 2
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)38,6692
ポリマ-38,3281
非ポリマー3401
181
タイプ名称対称操作
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)140.208, 183.192, 217.656
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
11A
21B
31C
41D
51E
61F
71G
81H
91I
101J
111K
121L

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要素

#1: タンパク質
MAP kinase-activated protein kinase 2 / MAPK-activated protein kinase 2 / MAPKAP kinase 2 / MAPKAPK-2 / MK2


分子量: 38328.238 Da / 分子数: 12 / 断片: Protein kinase domain / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: 9261, MAPKAPK2
発現宿主: Spodoptera frugiperda (ツマジロクサヨトウ)
株 (発現宿主): sf21
参照: UniProt: P49137, non-specific serine/threonine protein kinase
#2: 化合物
ChemComp-P4O / 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE / 2-[2-(3-キノリル)ピリジン-4-イル]-1,5,6,7-テトラヒドロ-4H-ピロロ[3,2-c]ピリジン-4-(以下略)


分子量: 340.378 Da / 分子数: 12 / 由来タイプ: 合成 / : C21H16N4O
#3: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 64 / 由来タイプ: 天然 / : H2O

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 3.04 Å3/Da / 溶媒含有率: 59.52 %
結晶化温度: 273 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 4.2
詳細: 40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K

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データ収集

回折平均測定温度: 100 K
放射光源由来: シンクロトロン / サイト: Diamond / ビームライン: I04 / 波長: 0.972 Å
検出器タイプ: ADSC QUANTUM 315r / 検出器: CCD / 日付: 2008年8月1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: 0.972 Å / 相対比: 1
反射解像度: 3.2→46.73 Å / Num. all: 129778 / Num. obs: 91154 / % possible obs: 99.3 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / 冗長度: 4.02 % / Rmerge(I) obs: 0.173 / Rsym value: 0.173
反射 シェル解像度: 3.2→3.31 Å / 冗長度: 3.99 % / Rmerge(I) obs: 0.63 / Mean I/σ(I) obs: 1.2 / Rsym value: 0.012 / % possible all: 100

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解析

ソフトウェア
名称バージョン分類
DNAデータ収集
PHASER位相決定
REFMAC5.1精密化
CrystalClearデータ削減
CrystalClearデータスケーリング
精密化構造決定の手法: 分子置換
開始モデル: PDB entry 2JBP
解像度: 3.2→46.73 Å / Cor.coef. Fo:Fc: 0.922 / Cor.coef. Fo:Fc free: 0.909 / SU B: 52.631 / SU ML: 0.387 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R Free: 0.477 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor反射数%反射Selection details
Rfree0.25817 4642 5 %RANDOM
Rwork0.23807 ---
obs0.23909 88052 99.76 %-
all-92915 --
溶媒の処理イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK
原子変位パラメータBiso mean: 65.458 Å2
Baniso -1Baniso -2Baniso -3
1--0.24 Å20 Å20 Å2
2--0.46 Å20 Å2
3----0.22 Å2
精密化ステップサイクル: LAST / 解像度: 3.2→46.73 Å
タンパク質核酸リガンド溶媒全体
原子数27956 0 312 64 28332
拘束条件
Refine-IDタイプDev idealDev ideal target
X-RAY DIFFRACTIONr_bond_refined_d0.0150.02228923
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.6081.98139010
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.50253390
X-RAY DIFFRACTIONr_dihedral_angle_2_deg39.8723.7371295
X-RAY DIFFRACTIONr_dihedral_angle_3_deg19.718155402
X-RAY DIFFRACTIONr_dihedral_angle_4_deg19.82815204
X-RAY DIFFRACTIONr_chiral_restr0.0910.24204
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.02121464
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.7411.517134
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it1.43227834
X-RAY DIFFRACTIONr_scbond_it1.499311789
X-RAY DIFFRACTIONr_scangle_it2.7254.511176
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Dom-ID: 1 / Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Auth asym-IDタイプRms dev position (Å)Weight position
A1120tight positional0.050.05
B1120tight positional0.050.05
C1120tight positional0.050.05
D1120tight positional0.050.05
E1120tight positional0.040.05
F1120tight positional0.060.05
G1120tight positional0.050.05
H1120tight positional0.040.05
I1120tight positional0.050.05
J1120tight positional0.040.05
K1120tight positional0.050.05
L1120tight positional0.050.05
A1158medium positional0.070.5
B1158medium positional0.070.5
C1158medium positional0.080.5
D1158medium positional0.080.5
E1158medium positional0.070.5
F1158medium positional0.090.5
G1158medium positional0.080.5
H1158medium positional0.060.5
I1158medium positional0.090.5
J1158medium positional0.070.5
K1158medium positional0.060.5
L1158medium positional0.080.5
A1120tight thermal0.090.5
B1120tight thermal0.070.5
C1120tight thermal0.080.5
D1120tight thermal0.070.5
E1120tight thermal0.060.5
F1120tight thermal0.080.5
G1120tight thermal0.080.5
H1120tight thermal0.060.5
I1120tight thermal0.070.5
J1120tight thermal0.080.5
K1120tight thermal0.070.5
L1120tight thermal0.070.5
A1158medium thermal0.092
B1158medium thermal0.082
C1158medium thermal0.092
D1158medium thermal0.092
E1158medium thermal0.072
F1158medium thermal0.092
G1158medium thermal0.082
H1158medium thermal0.072
I1158medium thermal0.072
J1158medium thermal0.092
K1158medium thermal0.072
L1158medium thermal0.082
LS精密化 シェル解像度: 3.2→3.283 Å / Total num. of bins used: 20
Rfactor反射数%反射
Rfree0.352 313 -
Rwork0.353 6432 -
obs--99.94 %
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)
12.21950.2426-0.41981.8126-1.27123.9275-0.0198-0.0653-0.05950.04410.03770.02020.0353-0.0045-0.01780.2385-0.0199-0.01490.2186-0.03470.2741-4.012150.895213.6268
23.25141.27010.78262.0470.35611.5313-0.03960.11620.1161-0.13580.06260.0256-0.08360.0362-0.02310.1640.0450.03370.1713-0.01540.13127.872256.481219.4995
30.4641-0.00590.67970.282-0.27216.1418-0.03210.4152-0.1789-0.4235-0.02650.02020.5472-0.48640.05860.6448-0.03850.0110.6833-0.06880.546718.81741.155836.6509
42.73230.61470.00732.7741-1.59362.7390.03010.16920.0135-0.2188-0.0231-0.2365-0.01430.1984-0.00690.1591-0.0057-0.02390.2056-0.01030.190228.228860.227221.8813
54.66921.22441.08729.17070.59472.0879-0.0086-0.0085-0.829-0.13250.0047-0.16030.76310.02420.00390.62810.00610.00450.6446-0.00270.618224.663761.7313.7157
61.29680.5097-0.49852.5974-1.08471.7508-0.0297-0.1686-0.02090.2250.01510.17380.0472-0.08020.01460.2250.0112-0.03230.3035-0.02040.251726.533432.536866.5482
73.44420.0871-1.90212.1766-0.26373.498-0.00390.05660.0265-0.15610.1445-0.2899-0.00560.3957-0.14050.25690.0318-0.08760.23910.06990.35833.066537.545757.2776
80.0984-0.0751-0.13430.20520.0470.21570.0720.2474-0.0913-0.049-0.0860.362-0.1744-0.35720.0140.61840.0495-0.01890.713-0.04380.664932.803933.122839.991
91.9801-0.7673-0.68883.37510.86843.0273-0.0213-0.15660.27330.0241-0.01860.2184-0.2203-0.24320.03980.2653-0.0110.0090.23340.04360.232624.952854.274951.608
101.02942.00841.13295.94343.18472.1306-0.03970.4294-0.3536-0.50180.0462-0.00580.3272-0.0485-0.00650.8927-0.0029-0.00430.8556-0.04670.826710.719353.197263.7793
112.8557-1.12511.68011.5375-0.70483.2156-0.0518-0.1410.09430.27460.0347-0.0582-0.0288-0.07790.0170.3419-0.06170.03290.32170.00270.376458.220326.47839.2616
121.1197-0.6402-0.18441.83971.14551.70780.03560.0325-0.17190.06950.0063-0.14390.15420.1033-0.04180.2179-0.0024-0.00060.2190.04560.190657.009334.179718.5297
135.9188-1.10971.23461.50410.41081.0870.073-0.1584-0.3349-0.19370.02080.5676-0.0695-0.4814-0.09380.453-0.03080.01110.54050.09120.517830.856141.203120.7369
143.92110.57010.73841.69720.56012.2620.027-0.3035-0.04960.3214-0.063-0.1398-0.05330.12070.03610.27880.02510.02110.2524-0.02470.254350.765547.541237.5124
155.21865.53451.336.66451.54520.74230.02950.223-0.4365-0.145-0.02890.3130.4414-0.3626-0.00060.8917-0.0515-0.01920.8808-0.04020.908264.705635.794141.6248
162.6520.61330.86641.66010.17321.6494-0.02860.02960.09250-0.026-0.0305-0.07160.03490.05450.22720.02940.04610.2145-0.01610.206629.982930.6746-12.3611
170.6091-1.19-0.18925.38280.87140.4329-0.0341-0.21410.60360.22740.1549-0.5048-0.4208-0.1208-0.12080.79510.02930.00020.7379-0.04350.827215.44129.9084-2.5531
185.99960.260.50777.4041-2.03117.7936-0.1926-0.48720.11350.56590.25070.2895-0.3209-0.3814-0.05810.2187-0.05220.00780.2644-0.04390.23168.480329.6886-14.575
191.9693-0.14060.52623.0351-1.00951.55850.04830.06030.1098-0.096-0.00680.1026-0.1229-0.1167-0.04150.2462-0.0213-0.01650.2899-0.00960.29484.918427.0967-20.0613
202.4727-1.61174.91511.8325-4.084112.5622-0.0141-0.7047-0.26810.63910.043-0.11660.0659-0.1143-0.02890.8895-0.0137-0.03710.88630.07910.7369.174146.0384-16.1999
211.1418-0.5970.47172.0357-1.11862.0888-0.021-0.0768-0.28990.0446-0.0065-0.07860.38270.18060.02740.3311-0.03290.00520.3652-0.02790.39297.708-22.5813-3.0689
222.9239-2.358-0.84373.61030.52112.0301-0.05790.0123-0.02490.1028-0.1750.3577-0.0143-0.25270.2330.3537-0.08480.00920.40620.06420.39731.3306-12.4254-5.7631
230.8364-0.301-0.4680.32870.01940.43850.0357-0.83970.6640.34680.2431-0.3237-0.31360.578-0.27880.6788-0.0778-0.01121.0842-0.4030.84282.18142.10841.3352
242.0354-0.3402-0.93132.98390.5793.9181-0.01790.3072-0.1062-0.23750.0614-0.3324-0.03210.3286-0.04360.31010.0128-0.00980.2590.0360.29479.3364-2.5151-20.4931
250.4540.14750.540.55790.64612.30670.0003-0.5730.03820.6248-0.00490.05810.0534-0.04180.00460.9950.0150.01190.9731-0.00350.879523.7869-13.9727-20.9596
263.75682.1039-0.92944.5727-1.67562.5256-0.06360.38410.3039-0.2340.1148-0.08610.0205-0.102-0.05120.30260.0372-0.05470.2782-0.02870.3035-21.69138.008416.8472
271.2624-0.296-0.56431.41780.67152.64820.0185-0.14110.03660.08-0.06090.01630.0212-0.03590.04230.22330.001-0.00970.16470.03340.2399-22.124124.64437.1647
280.53690.3315-0.2480.553-0.05830.15330.194-0.6438-0.39040.515-0.2584-0.4826-0.01980.35960.06430.6668-0.1607-0.21860.87610.25710.71571.5420.76140.7457
294.09730.38620.71741.62450.73631.68270.03190.0469-0.3322-0.16070.0250.08760.3432-0.0452-0.05690.29450.010.0260.277-0.01980.2496-16.83829.2729-10.3384
303.88321.32895.93020.87852.275610.35750.0951-0.54060.03150.5458-0.0156-0.28780.15780.1902-0.07960.86780.0061-0.05310.8788-0.01310.7999-30.57432.4036-0.0706
310.9633-0.0390.82521.96430.89124.19690.1269-0.1732-0.1380.2226-0.122-0.09820.15420.0394-0.00480.19480.02340.0380.25270.01560.2711-14.436643.129840.3963
321.36260.4523-0.12672.8392-0.45431.46810.0208-0.12840.02840.0891-0.0020.0477-0.09980.0363-0.01880.21020.0119-0.04410.2762-0.00840.2479-16.678833.414347.3524
331.5592.85982.74885.93615.41915.2896-0.22360.08620.2121-0.2420.2133-0.2014-0.52430.47180.01030.5687-0.0208-0.01290.57430.01930.5863-9.68710.805239.7064
342.3372-1.1282-0.13322.28990.18183.1511-0.0023-0.52590.11590.49260.01-0.29930.00690.3402-0.00760.2737-0.01750.00580.23430.01460.2768-12.428915.541762.4773
350.414-0.9323-0.67125.30293.23786.5448-0.1421-0.12840.29430.0561-0.0562-0.1407-0.45170.24950.19830.46680.0976-0.03320.39780.06590.4806-21.36723.809667.1265
363.7073-0.13661.26531.55670.66792.83030.0246-0.0235-0.1219-0.00760.02370.01090.0843-0.0805-0.04820.3826-0.00350.0420.37190.00990.3598-15.0568-22.085817.6449
371.2607-0.5334-0.67681.84610.81843.3552-0.01970.1378-0.06540.07730.01170.25320.0471-0.29840.00790.32350.0006-0.03170.25590.02880.3186-20.5239-16.834530.3148
388.1405-0.42293.58970.41390.02532.5906-0.06110.4290.33390.07-0.1435-0.36830.03730.6740.20460.585-0.00450.01840.61870.04150.6333-1.5994-7.911946.9227
394.26580.34460.5012.68450.41981.693-0.01030.16190.3342-0.11750.06920.4185-0.2393-0.3095-0.0590.32260.01340.01910.3125-0.03510.2528-28.2174-2.507543.5776
405.82241.5909-2.51890.75-0.68231.4341-0.00790.14920.0176-0.22010.0223-0.4945-0.08320.4962-0.01440.8795-0.01440.03050.9357-0.01340.9296-37.8875-1.622427.6196
412.75160.1184-0.0871.0929-0.09871.5082-0.02260.05660.0063-0.0415-0.0282-0.1399-0.05810.05530.05090.3079-0.0036-0.00440.2482-0.03320.239216.6917-4.084768.3981
421.0851-2.33050.34095.7321-0.86280.16810.05070.2199-0.174-0.3628-0.0556-0.01960.19160.04770.00490.5606-0.01230.01330.58-0.0090.56962.25468.72451.7137
431.95350.75371.09523.7192-0.28231.9063-0.00810.2197-0.2722-0.1615-0.00290.2080.2982-0.24450.0110.26160.01230.00610.30750.00010.2983-6.7782-10.772860.9826
442.91171.5329-0.90321.3317-1.25723.5879-0.0461-0.17340.21050.31970.02540.3294-0.1867-0.21030.02070.4208-0.00350.02830.42110.02470.396-6.6858-15.022575.686
453.66972.181-3.81662.1827-3.23317.382-0.08850.89340.7062-0.57640.1269-0.0951-0.54820.2369-0.03840.9915-0.02350.05480.90280.10160.87824.0354-27.112563.9018
463.29011.1866-0.44852.1220.18472.21460.0328-0.016-0.0494-0.0351-0.019-0.1969-0.01010.0582-0.01370.34540.0421-0.00980.3332-0.00190.344450.973513.199860.9607
471.072-0.308-0.51392.20781.06841.81890.02470.04690.0124-0.0769-0.0232-0.27380.10960.2494-0.00160.3525-0.0239-0.00140.33050.04040.306753.91292.453551.4886
482.04343.30240.30525.98740.64270.26670.02490.16740.57620.02410.05320.3557-0.36350.0625-0.07810.74140.00850.02550.71030.01240.746336.902-10.023237.8869
494.80750.64760.07711.31830.55062.62170.00030.37490.1466-0.3182-0.0427-0.3213-0.10050.35460.04230.43740.01090.00260.3864-0.01970.403860.4352-6.809132.452
504.9262.8704-0.04493.17110.91770.91890.08870.17880.27770.0117-0.005-0.1548-0.39780.1638-0.08370.66380.0099-0.00910.6816-0.0260.547869.9755-6.806741.5019
513.7007-0.4060.01111.2445-0.16681.5472-0.0078-0.1291-0.16150.04840.05540.04590.1233-0.1055-0.04750.4083-0.02730.00090.3086-0.02980.335215.9351-35.462732.2389
522.53680.2016-0.73643.8245-1.31654.18890.01720.07750.19830.03470.0314-0.0617-0.28870.0528-0.04850.27950.0062-0.06480.4036-0.05910.377326.9603-29.885728.7728
530.30640.1844-0.21760.9351-1.12271.98720.06870.03920.45560.3770.18650.3197-1.0201-0.4281-0.25520.72880.06430.01960.59640.01030.705633.3185-15.540123.6563
542.5880.65620.96792.6001-1.82082.57790.0233-0.3129-0.01730.3505-0.0294-0.0980.02670.14290.00620.40670.0435-0.00340.4414-0.00920.401342.2849-30.273839.9484
552.6896-3.5334-0.54895.84060.89550.53740.02550.13030.6295-0.1707-0.0320.1411-0.5707-0.29610.00650.93290.0547-0.02960.84620.02030.955531.5391-36.403353.9383
561.2939-0.86090.1852.9739-0.6551.72750.0255-0.0236-0.233-0.0487-0.0070.09080.14890.0278-0.01860.2827-0.03370.01110.3519-0.01030.317549.41051.5972-5.6382
573.0833-0.1342-0.27663.54380.56184.82770.00030.1657-0.2433-0.1768-0.0171-0.08640.21190.10940.01670.3063-0.0333-0.02270.2870.0320.322452.8689-7.78144.7263
580.45330.12010.20114.60815.22996.2245-0.0845-0.36140.4153-0.0094-0.48140.565-0.3873-0.68090.56590.56730.0353-0.02580.6346-0.09490.670848.7838-0.599426.3319
591.7954-0.1303-0.7822.69140.43992.40450.00210.2259-0.5187-0.05670.00490.11190.4453-0.12-0.00710.35660.0059-0.00880.34510.02090.330548.4405-22.744313.3355
600.06850.13530.03473.69591.54723.8584-0.05150.1564-0.0879-0.41840.02930.47530.0018-0.480.02210.685-0.00770.06490.63530.04690.641255.0185-26.19351.6465
精密化 TLSグループ
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A46 - 104
2X-RAY DIFFRACTION2A105 - 215
3X-RAY DIFFRACTION3A231 - 241
4X-RAY DIFFRACTION4A242 - 343
5X-RAY DIFFRACTION5A344 - 350
6X-RAY DIFFRACTION6B46 - 192
7X-RAY DIFFRACTION7B193 - 233
8X-RAY DIFFRACTION8B234 - 241
9X-RAY DIFFRACTION9B242 - 343
10X-RAY DIFFRACTION10B344 - 350
11X-RAY DIFFRACTION11C46 - 75
12X-RAY DIFFRACTION12C76 - 212
13X-RAY DIFFRACTION13C213 - 244
14X-RAY DIFFRACTION14C245 - 343
15X-RAY DIFFRACTION15C344 - 350
16X-RAY DIFFRACTION16D46 - 233
17X-RAY DIFFRACTION17D234 - 240
18X-RAY DIFFRACTION18D241 - 265
19X-RAY DIFFRACTION19D266 - 343
20X-RAY DIFFRACTION20D344 - 350
21X-RAY DIFFRACTION21E46 - 191
22X-RAY DIFFRACTION22E192 - 233
23X-RAY DIFFRACTION23E234 - 244
24X-RAY DIFFRACTION24E245 - 344
25X-RAY DIFFRACTION25E345 - 350
26X-RAY DIFFRACTION26F46 - 64
27X-RAY DIFFRACTION27F65 - 230
28X-RAY DIFFRACTION28F231 - 244
29X-RAY DIFFRACTION29F245 - 343
30X-RAY DIFFRACTION30F344 - 350
31X-RAY DIFFRACTION31G46 - 80
32X-RAY DIFFRACTION32G81 - 233
33X-RAY DIFFRACTION33G234 - 241
34X-RAY DIFFRACTION34G242 - 320
35X-RAY DIFFRACTION35G321 - 350
36X-RAY DIFFRACTION36H46 - 104
37X-RAY DIFFRACTION37H105 - 215
38X-RAY DIFFRACTION38H227 - 244
39X-RAY DIFFRACTION39H245 - 343
40X-RAY DIFFRACTION40H344 - 350
41X-RAY DIFFRACTION41I46 - 233
42X-RAY DIFFRACTION42I234 - 241
43X-RAY DIFFRACTION43I242 - 324
44X-RAY DIFFRACTION44I325 - 343
45X-RAY DIFFRACTION45I344 - 350
46X-RAY DIFFRACTION46J46 - 97
47X-RAY DIFFRACTION47J98 - 215
48X-RAY DIFFRACTION48J231 - 241
49X-RAY DIFFRACTION49J242 - 320
50X-RAY DIFFRACTION50J321 - 350
51X-RAY DIFFRACTION51K46 - 176
52X-RAY DIFFRACTION52K177 - 232
53X-RAY DIFFRACTION53K233 - 244
54X-RAY DIFFRACTION54K245 - 342
55X-RAY DIFFRACTION55K343 - 350
56X-RAY DIFFRACTION56L46 - 161
57X-RAY DIFFRACTION57L162 - 215
58X-RAY DIFFRACTION58L227 - 244
59X-RAY DIFFRACTION59L245 - 324
60X-RAY DIFFRACTION60L325 - 350

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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://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