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- PDB-2x3y: Crystal structure of GmhA from Burkholderia pseudomallei -

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基本情報

登録情報
データベース: PDB / ID: 2x3y
タイトルCrystal structure of GmhA from Burkholderia pseudomallei
要素PHOSPHOHEPTOSE ISOMERASE
キーワードISOMERASE / CAPSULE BIOGENESIS/DEGRADATION / CAPSULE / CARBOHYDRATE METABOLISM
機能・相同性
機能・相同性情報


D-sedoheptulose-7-phosphate isomerase / D-sedoheptulose 7-phosphate isomerase activity / D-glycero-D-manno-heptose 7-phosphate biosynthetic process / capsule polysaccharide biosynthetic process / carbohydrate derivative binding / zinc ion binding / cytoplasm
類似検索 - 分子機能
Phosphoheptose isomerase / GmhA/DiaA / : / SIS domain / SIS domain / SIS domain profile. / SIS domain superfamily / Glucose-6-phosphate isomerase like protein; domain 1 / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
類似検索 - ドメイン・相同性
Phosphoheptose isomerase
類似検索 - 構成要素
生物種BURKHOLDERIA PSEUDOMALLEI (類鼻疽菌)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.4 Å
データ登録者Harmer, N.J.
引用ジャーナル: J.Mol.Biol. / : 2010
タイトル: The Structure of Sedoheptulose-7-Phosphate Isomerase from Burkholderia Pseudomallei Reveals a Zinc Binding Site at the Heart of the Active Site.
著者: Harmer, N.J.
履歴
登録2010年1月28日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02010年5月19日Provider: repository / タイプ: Initial release
改定 1.12011年5月7日Group: Version format compliance
改定 1.22011年7月13日Group: Version format compliance
改定 1.32018年3月7日Group: Source and taxonomy / カテゴリ: entity_src_gen
Item: _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name ..._entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name / _entity_src_gen.pdbx_host_org_strain / _entity_src_gen.pdbx_host_org_variant
改定 1.42019年5月8日Group: Data collection / Experimental preparation / カテゴリ: exptl_crystal_grow / struct_biol / Item: _exptl_crystal_grow.method
改定 1.52023年12月20日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _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: PHOSPHOHEPTOSE ISOMERASE
B: PHOSPHOHEPTOSE ISOMERASE
C: PHOSPHOHEPTOSE ISOMERASE
D: PHOSPHOHEPTOSE ISOMERASE
E: PHOSPHOHEPTOSE ISOMERASE
F: PHOSPHOHEPTOSE ISOMERASE
G: PHOSPHOHEPTOSE ISOMERASE
H: PHOSPHOHEPTOSE ISOMERASE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)187,67116
ポリマ-187,1488
非ポリマー5238
10,737596
1
A: PHOSPHOHEPTOSE ISOMERASE
B: PHOSPHOHEPTOSE ISOMERASE
C: PHOSPHOHEPTOSE ISOMERASE
D: PHOSPHOHEPTOSE ISOMERASE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)93,8368
ポリマ-93,5744
非ポリマー2624
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area14460 Å2
ΔGint-246.5 kcal/mol
Surface area25050 Å2
手法PISA
2
E: PHOSPHOHEPTOSE ISOMERASE
F: PHOSPHOHEPTOSE ISOMERASE
G: PHOSPHOHEPTOSE ISOMERASE
H: PHOSPHOHEPTOSE ISOMERASE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)93,8368
ポリマ-93,5744
非ポリマー2624
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area14330 Å2
ΔGint-244.3 kcal/mol
Surface area24210 Å2
手法PISA
単位格子
Length a, b, c (Å)47.095, 69.091, 128.148
Angle α, β, γ (deg.)98.35, 89.96, 104.19
Int Tables number1
Space group name H-MP1
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID
11
21
31
41
51
61
71
81
12
22
32
42
52
62
72
82
13
23
33
43
53
63
73
83
14
24
34
44
54
64
74
84
15
25
35
45
55
65
75
85
16
26
36
46
56
66
76
86
17
27
37
47
57
67
77
87
18
28
38
48
58
68
78
88
19
29
39
49
59
69
79
89
110
210
310
410
510
610
710
810

NCSドメイン領域:
Dom-IDComponent-IDEns-IDSelection details
111CHAIN A AND RESID 5:16
211CHAIN B AND RESID 5:16
311CHAIN C AND RESID 5:14
411CHAIN D AND RESID 5:16
511CHAIN E AND RESID 5:16
611CHAIN F AND RESID 8:14
711CHAIN G AND RESID 5:16
811CHAIN H AND RESID 5:16
112CHAIN A AND RESID 19:27
212CHAIN B AND RESID 19:26
312CHAIN C AND RESID 19:26
412CHAIN D AND RESID 19:27
512CHAIN E AND RESID 19:27
612CHAIN F AND RESID 19:26
712CHAIN G AND RESID 19:26
812CHAIN H AND RESID 19:27
113CHAIN A AND RESID 29:33
213CHAIN B AND RESID 29:33
313CHAIN C AND RESID 29:33
413CHAIN D AND RESID 29:33
513CHAIN E AND RESID 29:33
613CHAIN F AND RESID 29:33
713CHAIN G AND RESID 29:33
813CHAIN H AND RESID 29:33
114CHAIN A AND RESID 35:60
214CHAIN B AND RESID 35:60
314CHAIN C AND RESID 35:60
414CHAIN D AND RESID 35:60
514CHAIN E AND RESID 35:60
614CHAIN F AND RESID 35:60
714CHAIN G AND RESID 35:60
814CHAIN H AND RESID 35:60
115CHAIN A AND RESID 62:100
215CHAIN B AND RESID 62:100
315CHAIN C AND RESID 62:100
415CHAIN D AND RESID 62:100
515CHAIN E AND RESID 62:100
615CHAIN F AND (RESID 62:71 OR RESID 73:100)
715CHAIN G AND RESID 62:100
815CHAIN H AND RESID 62:100
116CHAIN A AND RESID 102:109
216CHAIN B AND RESID 102:111
316CHAIN C AND RESID 102:111
416CHAIN D AND RESID 102:111
516CHAIN E AND RESID 102:111
616CHAIN F AND (RESID 102:106 OR RESID 108:111)
716CHAIN G AND RESID 102:111
816CHAIN H AND (RESID 102:106 OR RESID 108:111)
117CHAIN A AND RESID 113:151
217CHAIN B AND (RESID 113:135 OR RESID 137:154)
317CHAIN C AND RESID 113:154
417CHAIN D AND (RESID 113:135 OR RESID 137:154)
517CHAIN E AND RESID 113:154
617CHAIN F AND RESID 113:154
717CHAIN G AND RESID 113:154
817CHAIN H AND RESID 113:154
118CHAIN A AND RESID 159:170
218CHAIN B AND RESID 159:170
318CHAIN C AND RESID 158:170
418CHAIN D AND RESID 158:170
518CHAIN E AND RESID 158:170
618CHAIN F AND RESID 158:170
718CHAIN G AND RESID 159:170
818CHAIN H AND RESID 158:170
119CHAIN A AND RESID 172:185
219CHAIN B AND RESID 172:185
319CHAIN C AND RESID 172:185
419CHAIN D AND RESID 172:185
519CHAIN E AND RESID 172:185
619CHAIN F AND RESID 172:185
719CHAIN G AND RESID 172:185
819CHAIN H AND RESID 172:185
1110CHAIN A AND RESID 187:195
2110CHAIN B AND RESID 187:195
3110CHAIN C AND RESID 187:195
4110CHAIN D AND RESID 187:195
5110CHAIN E AND RESID 187:195
6110CHAIN F AND RESID 187:195
7110CHAIN G AND RESID 187:195
8110CHAIN H AND RESID 187:195

NCSアンサンブル:
ID
1
2
3
4
5
6
7
8
9
10

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要素

#1: タンパク質
PHOSPHOHEPTOSE ISOMERASE / SEDOHEPTULOSE 7-PHOSPHATE ISOMERASE / GMHA


分子量: 23393.502 Da / 分子数: 8 / 由来タイプ: 組換発現
由来: (組換発現) BURKHOLDERIA PSEUDOMALLEI (類鼻疽菌)
: K96243 / プラスミド: PNIC28 / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / Variant (発現宿主): Rosetta
参照: UniProt: Q93UJ2, 異性化酵素; 分子内で酸化還元酵素として働くもの; アルドース - ケトースの相互変換
#2: 化合物
ChemComp-ZN / ZINC ION


分子量: 65.409 Da / 分子数: 8 / 由来タイプ: 合成 / : Zn
#3: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 596 / 由来タイプ: 天然 / : H2O

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 2.14 Å3/Da / 溶媒含有率: 42.6 % / 解説: NONE
結晶化手法: マイクロバッチ法 / pH: 7
詳細: 0.1 M SODIUM MALONATE PH 7.0, 10 % (W/V) PEG 3350. MICROBATCH METHOD

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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: I03 / 波長: 0.97
検出器タイプ: ADSC CCD / 検出器: CCD / 日付: 2008年6月20日 / 詳細: MIRRORS
放射モノクロメーター: DOUBLE CRYSTAL / 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: 0.97 Å / 相対比: 1
反射解像度: 2.4→45.6 Å / Num. obs: 56237 / % possible obs: 92.9 % / Observed criterion σ(I): 2 / 冗長度: 3.6 % / Biso Wilson estimate: 28.56 Å2 / Rmerge(I) obs: 0.13 / Net I/σ(I): 11.4
反射 シェル解像度: 2.4→2.53 Å / 冗長度: 3.7 % / Rmerge(I) obs: 0.72 / Mean I/σ(I) obs: 2.1 / % possible all: 93.1

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解析

ソフトウェア
名称バージョン分類
PHENIX(PHENIX.REFINE)精密化
MOSFLMデータ削減
SCALAデータスケーリング
PHASER位相決定
精密化構造決定の手法: 分子置換
開始モデル: PDB ENTRY 1TK9
解像度: 2.4→45.627 Å / SU ML: 0.36 / σ(F): 0.01 / 位相誤差: 26.26 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.245 1789 3.4 %
Rwork0.189 --
obs0.1909 52658 86.96 %
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 / Bsol: 47.959 Å2 / ksol: 0.316 e/Å3
原子変位パラメータBiso mean: 38.14 Å2
Baniso -1Baniso -2Baniso -3
1--11.1591 Å2-4.621 Å2-0.7292 Å2
2--15.408 Å23.9182 Å2
3----4.2488 Å2
精密化ステップサイクル: LAST / 解像度: 2.4→45.627 Å
タンパク質核酸リガンド溶媒全体
原子数11420 0 8 596 12024
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00711589
X-RAY DIFFRACTIONf_angle_d0.95515662
X-RAY DIFFRACTIONf_dihedral_angle_d16.6174156
X-RAY DIFFRACTIONf_chiral_restr0.071826
X-RAY DIFFRACTIONf_plane_restr0.0042057
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDタイプRms dev position (Å)
11A92X-RAY DIFFRACTIONPOSITIONAL
12B92X-RAY DIFFRACTIONPOSITIONAL0.052
13C78X-RAY DIFFRACTIONPOSITIONAL0.048
14D92X-RAY DIFFRACTIONPOSITIONAL0.043
15E92X-RAY DIFFRACTIONPOSITIONAL0.045
16F54X-RAY DIFFRACTIONPOSITIONAL0.046
17G92X-RAY DIFFRACTIONPOSITIONAL0.053
18H92X-RAY DIFFRACTIONPOSITIONAL0.042
21A54X-RAY DIFFRACTIONPOSITIONAL
22B54X-RAY DIFFRACTIONPOSITIONAL0.044
23C54X-RAY DIFFRACTIONPOSITIONAL0.036
24D63X-RAY DIFFRACTIONPOSITIONAL0.048
25E63X-RAY DIFFRACTIONPOSITIONAL0.042
26F54X-RAY DIFFRACTIONPOSITIONAL0.036
27G54X-RAY DIFFRACTIONPOSITIONAL0.041
28H63X-RAY DIFFRACTIONPOSITIONAL0.03
31A35X-RAY DIFFRACTIONPOSITIONAL
32B35X-RAY DIFFRACTIONPOSITIONAL0.035
33C35X-RAY DIFFRACTIONPOSITIONAL0.032
34D35X-RAY DIFFRACTIONPOSITIONAL0.035
35E35X-RAY DIFFRACTIONPOSITIONAL0.033
36F35X-RAY DIFFRACTIONPOSITIONAL0.03
37G35X-RAY DIFFRACTIONPOSITIONAL0.032
38H35X-RAY DIFFRACTIONPOSITIONAL0.024
41A162X-RAY DIFFRACTIONPOSITIONAL
42B162X-RAY DIFFRACTIONPOSITIONAL0.042
43C162X-RAY DIFFRACTIONPOSITIONAL0.035
44D162X-RAY DIFFRACTIONPOSITIONAL0.04
45E162X-RAY DIFFRACTIONPOSITIONAL0.041
46F162X-RAY DIFFRACTIONPOSITIONAL0.039
47G162X-RAY DIFFRACTIONPOSITIONAL0.036
48H162X-RAY DIFFRACTIONPOSITIONAL0.031
51A289X-RAY DIFFRACTIONPOSITIONAL
52B289X-RAY DIFFRACTIONPOSITIONAL0.042
53C289X-RAY DIFFRACTIONPOSITIONAL0.039
54D289X-RAY DIFFRACTIONPOSITIONAL0.04
55E289X-RAY DIFFRACTIONPOSITIONAL0.04
56F278X-RAY DIFFRACTIONPOSITIONAL0.04
57G289X-RAY DIFFRACTIONPOSITIONAL0.042
58H289X-RAY DIFFRACTIONPOSITIONAL0.031
61A70X-RAY DIFFRACTIONPOSITIONAL
62B70X-RAY DIFFRACTIONPOSITIONAL0.093
63C70X-RAY DIFFRACTIONPOSITIONAL0.043
64D70X-RAY DIFFRACTIONPOSITIONAL0.05
65E70X-RAY DIFFRACTIONPOSITIONAL0.047
66F59X-RAY DIFFRACTIONPOSITIONAL0.041
67G70X-RAY DIFFRACTIONPOSITIONAL0.05
68H59X-RAY DIFFRACTIONPOSITIONAL0.095
71A265X-RAY DIFFRACTIONPOSITIONAL
72B265X-RAY DIFFRACTIONPOSITIONAL0.044
73C276X-RAY DIFFRACTIONPOSITIONAL0.042
74D265X-RAY DIFFRACTIONPOSITIONAL0.04
75E276X-RAY DIFFRACTIONPOSITIONAL0.042
76F276X-RAY DIFFRACTIONPOSITIONAL0.038
77G276X-RAY DIFFRACTIONPOSITIONAL0.041
78H276X-RAY DIFFRACTIONPOSITIONAL0.032
81A88X-RAY DIFFRACTIONPOSITIONAL
82B88X-RAY DIFFRACTIONPOSITIONAL0.045
83C88X-RAY DIFFRACTIONPOSITIONAL0.051
84D88X-RAY DIFFRACTIONPOSITIONAL0.044
85E88X-RAY DIFFRACTIONPOSITIONAL0.044
86F88X-RAY DIFFRACTIONPOSITIONAL0.05
87G88X-RAY DIFFRACTIONPOSITIONAL0.044
88H88X-RAY DIFFRACTIONPOSITIONAL0.036
91A108X-RAY DIFFRACTIONPOSITIONAL
92B108X-RAY DIFFRACTIONPOSITIONAL0.048
93C108X-RAY DIFFRACTIONPOSITIONAL0.042
94D108X-RAY DIFFRACTIONPOSITIONAL0.048
95E108X-RAY DIFFRACTIONPOSITIONAL0.046
96F108X-RAY DIFFRACTIONPOSITIONAL0.04
97G108X-RAY DIFFRACTIONPOSITIONAL0.044
98H108X-RAY DIFFRACTIONPOSITIONAL0.035
101A67X-RAY DIFFRACTIONPOSITIONAL
102B67X-RAY DIFFRACTIONPOSITIONAL0.042
103C67X-RAY DIFFRACTIONPOSITIONAL0.03
104D67X-RAY DIFFRACTIONPOSITIONAL0.036
105E67X-RAY DIFFRACTIONPOSITIONAL0.036
106F67X-RAY DIFFRACTIONPOSITIONAL0.032
107G67X-RAY DIFFRACTIONPOSITIONAL0.04
108H67X-RAY DIFFRACTIONPOSITIONAL0.029
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4001-2.48590.37071570.25574606X-RAY DIFFRACTION78
2.4859-2.58540.29781660.24254630X-RAY DIFFRACTION81
2.5854-2.7030.28851750.21694862X-RAY DIFFRACTION83
2.703-2.84550.29621640.21845071X-RAY DIFFRACTION86
2.8455-3.02380.26951830.20395145X-RAY DIFFRACTION88
3.0238-3.25720.26211800.18775231X-RAY DIFFRACTION89
3.2572-3.58490.22911840.18115296X-RAY DIFFRACTION90
3.5849-4.10330.21411950.16195327X-RAY DIFFRACTION91
4.1033-5.16860.18931830.13915346X-RAY DIFFRACTION91
5.1686-45.63540.20852020.17115355X-RAY DIFFRACTION92
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)
10.1461-0.1779-0.05470.68620.09080.0559-0.00610.1323-0.28790.46620.1463-0.34450.05540.0331-0.1180.31-0.09120.08380.1465-0.21690.394-36.506936.7207-17.7429
20.4360.50270.62933.51981.50571.2116-0.10240.06640.01350.01520.1261-0.0313-0.06520.16730.1030.2843-0.01540.0210.1355-0.08540.096-37.959151.3033-22.5561
31.2498-0.75950.82551.71010.78262.3803-0.378-0.01030.13160.04630.3001-0.2497-0.4467-0.06560.04120.27090.0587-0.01110.06160.01750.0627-36.732965.1422-24.4346
43.06752.95431.17243.58180.85970.6946-0.48790.16790.3085-0.02440.19930.4038-0.72550.1640.21140.4925-0.01810.0060.04620.01890.0766-37.274874.8005-26.3428
51.2403-0.96391.26574.3964-0.64051.5525-0.3232-0.08320.4955-0.1852-0.03360.4657-0.6268-0.03940.48730.49030.0726-0.07660.1241-0.06520.1402-38.638381.5397-20.4499
60.803-0.1381-0.2930.5387-0.83331.81080.25230.28210.04740.243-0.2028-0.0905-0.8506-0.1791-0.17530.5540.16870.03060.06860.01750.0237-39.636281.4344-5.1
70.47180.2985-0.250.4049-0.46931.6012-0.09970.0951-0.030.19470.1557-0.0832-0.7036-0.1844-0.10120.45940.07450.01540.08050.00430.0383-35.79874.05250.9434
82.2257-0.35872.09220.0636-0.33981.96920.2374-0.2229-0.0046-0.14690.11440.0929-0.142-0.606-0.38870.44190.34620.06370.49610.09420.2479-57.419570.97455.9137
90.7197-0.3992-0.25951.16260.19632.2038-0.05110.15560.026-0.07020.06910.2158-1.1022-1.0213-0.05440.49090.36550.00360.3897-0.02050.0629-49.600678.8552-4.0414
103.9843-1.43473.19490.8081-1.76823.87080.25980.5268-0.12140.15960.12130.12930.23070.0474-0.56530.52530.63670.12090.88340.34590.4676-54.292876.0362-16.2202
110.5464-0.1722-0.11410.8864-1.29692.23510.12440.20560.14360.1729-0.03080.0958-0.7933-0.18940.20130.39030.115-0.00780.0510.03880.0698-37.934774.8292-13.4381
122.4917-1.52310.17117.0996-4.12072.65190.1734-0.14980.15830.4382-0.1243-0.10810.5149-0.0676-0.09380.4012-0.0483-0.04720.38580.10550.1146-27.204684.1269-20.8271
130.5764-0.1450.1950.1333-0.16770.2481-0.1024-0.15940.0605-0.08250.2542-0.0989-0.4650.15210.01860.2752-0.0818-0.0160.22160.03660.088-28.045172.0931-21.4982
140.9019-0.70210.02272.5938-0.47021.7929-0.0350.10090.0296-0.17460.13940.35680.2353-0.0063-0.1050.2845-0.09380.02780.1736-0.00450.0848-27.841957.8398-22.663
152.1436-1.56320.69071.1646-0.32541.6529-0.08130.1354-0.3553-0.48470.15810.1405-0.23810.1004-0.05670.3819-0.0722-0.02350.08570.0050.1776-26.099348.6809-20.1625
162.89360.0982-0.06980.2440.38980.6427-0.0672-0.1314-0.6012-0.5856-0.00260.2095-0.00720.0497-0.00660.26620.06290.0080.08440.03160.1283-30.778246.0389-14.6304
170.9090.0040.37230.0558-0.15140.9652-0.15350.07230.06160.04410.14960.0187-0.2797-0.02480.02910.11680.0399-0.02420.0233-0.02840.0464-38.91453.727-1.1721
181.2897-0.5983-0.48141.2288-0.09550.320.1497-0.07190.14380.13680.0402-0.2543-0.02980.1916-0.15340.3708-0.08480.0270.1635-0.07630.087-23.881259.746514.788
190.71090.34760.8421.6504-0.23571.5172-0.16490.1089-0.0761-0.04180.0078-0.3837-0.07990.22850.01950.01980.0463-0.01370.01440.00030.0574-25.375151.78940.9465
200.97920.2875-0.13222.9223-1.96492.4516-0.1263-0.2671-0.267-0.1852-0.1362-0.09180.47360.66590.24680.15810.1178-0.02920.1733-0.04160.1716-19.136947.9732-5.6653
210.16130.08910.0050.1349-0.09710.4227-0.02850.0191-0.11170.12630.01440.0825-0.1799-0.16280.06540.1810.0413-0.003-0.0266-0.01710.073-33.423455.9654-12.4542
220.65440.01790.34830.20270.10540.2337-0.3204-0.6426-0.121-0.00190.16870.0109-0.13270.54380.12770.51640.13090.19040.75380.12370.105-41.677252.527337.4382
233.34090.6809-2.39161.3381-0.53851.7827-0.48080.1649-0.01690.06830.4270.0899-0.13580.40890.11670.47790.19190.10180.6377-0.00810.1066-43.178465.824738.7565
240.68610.5868-0.15474.084-1.97130.97870.3029-0.5504-0.0514-0.4989-0.3941-0.036-1.3146-0.12910.20860.81070.12060.09460.80190.00810.0565-42.40876.15940.1266
250.9234-0.2277-0.88230.05740.20890.88430.2775-0.41550.1782-0.0343-0.1438-0.0145-0.3285-0.01940.01611.0510.3048-0.04280.4738-0.155-0.0045-41.349482.945134.4341
260.10420.18030.19730.3839-0.04271.78830.11050.0645-0.0038-0.1245-0.09650.1043-0.8584-0.4868-0.08450.50330.1991-0.00790.1208-0.01030.0324-43.089577.225115.2895
271.77070.24641.00280.24910.38531.62970.1250.6851-0.22680.2289-0.1911-0.1022-0.53840.73560.1030.7187-0.0676-0.09640.5946-0.07330.1589-22.371871.49927.5208
280.89120.15490.02210.0620.27962.77050.0776-0.026-0.2099-0.0931-0.04330.0131-0.77980.2467-0.10250.552-0.06290.02660.2178-0.0437-0.0114-30.093578.926816.2293
291.46760.4923-0.85221.0952-0.29271.19990.0852-0.63450.35330.117-0.03350.0865-0.73460.802-0.08160.4989-0.0711-0.01210.2083-0.02220.1113-30.50880.206224.5797
303.99170.58232.41031.14110.37831.45710.3634-0.36310.1797-0.68720.292-0.1243-1.53411.5612-0.6530.7023-0.10620.12610.4813-0.22460.0962-27.891983.390327.7837
310.3171-0.2422-0.05610.4171-0.11850.1503-0.0699-0.0224-0.13520.38590.03070.0522-0.75770.1105-0.2550.57750.10250.08930.2012-0.06440.0056-43.286974.781727.579
320.04830.00020.01760.1595-0.19630.24810.0261-0.19890.1413-0.11590.0801-0.09120.00890.2762-0.0670.87360.2230.11160.82610.13860.4425-52.990185.218834.6427
331.730.5485-0.78090.3297-0.37160.4493-0.1676-0.14080.1518-0.13520.0682-0.0184-0.1232-0.013-0.03240.56030.35670.06110.4956-0.05740.0811-51.784374.807334.594
340.7651-0.3192-0.33870.91870.90731.3816-0.0464-0.21540.12790.21420.3278-0.0230.1806-0.2591-0.17880.48850.14610.22890.8729-0.08220.1728-51.563164.709737.4586
350.46921.0059-0.14532.2103-0.35130.0960.0397-0.50560.05970.6286-0.22390.2556-0.0803-0.29990.05170.54410.06090.19320.7052-0.00310.1485-53.132853.056336.2971
363.29212.1437-1.89071.4478-1.03411.82960.0775-0.5679-0.07890.6843-0.11210.1986-0.32720.0467-0.0450.44360.14240.07820.29720.0750.1223-48.547946.354729.6589
370.6574-0.1425-0.1290.4259-0.06521.0296-0.1087-0.18270.0340.10080.0403-0.09880.00910.11010.08670.11720.0703-0.01140.1150.00540.0527-40.507853.973415.7157
381.0494-1.20310.51581.732-0.42130.93360.0479-0.0761-0.14420.06640.02780.2333-0.1182-0.37780.01310.32030.0814-0.01840.3073-0.03230.1778-55.747859.21930.2364
390.865-0.60430.31270.93510.63112.7921-0.151-0.3377-0.29660.13360.04360.34560.137-0.6890.04420.06810.04360.03060.2519-0.00770.154-53.997451.671413.6128
401.5389-0.4974-0.33261.24460.18610.0897-0.1337-0.0462-0.17260.1381-0.13070.04740.19920.03870.23030.27280.01050.05210.47810.10270.3988-60.135348.039320.5649
411.4755-0.43580.2240.5507-0.12710.0938-0.1425-0.36660.08350.33760.14570.0193-0.0837-0.237-0.01460.25170.10120.04460.26310.01390.0196-46.092556.376426.9408
421.0999-0.8248-0.59763.05842.42641.92870.08830.0429-0.5443-0.3118-0.06070.14870.52530.1592-0.0791.1980.3779-0.1810.5661-0.07390.4985-5.063162.8722-34.0765
432.4008-1.17621.36110.7275-1.03121.65050.0305-0.0848-0.4717-0.01930.06240.15020.47970.2417-0.1120.4250.2611-0.00950.13630.00220.1183-6.344273.2587-29.9324
440.4019-0.59970.09041.992-0.24371.18780.2160.1674-0.04060.09630.0923-0.04240.0310.1830.13730.34330.2896-0.04920.34420.06260.1455-5.43185.8298-23.7874
451.4720.07870.55430.23520.13650.32-0.155-0.09120.45810.1534-0.056-0.1231-0.04030.11210.13440.31410.05850.00130.057-0.01640.2985-6.556897.9621-24.2655
460.1639-0.0793-0.08970.40710.06490.0511-0.06430.0371-0.0060.007-0.06350.1478-0.0278-0.0820.03640.190.11240.0492-0.2375-0.19720.0656-13.0498102.2483-38.3853
470.9509-0.1288-0.01020.6030.2680.5504-0.03520.0271-0.00430.00190.03420.16520.03070.24180.03150.15940.07240.0280.1297-0.04930.0837-18.949996.1727-44.3039
481.37561.20871.04421.51071.02851.5051-0.09270.5915-0.1403-0.17710.4285-0.262-0.12330.7768-0.35780.17050.07690.05230.5457-0.050.054-1.806998.1206-58.6164
490.8032-0.5322-0.2391.8991-0.3371.9936-0.10530.1020.113-0.045-0.0074-0.25960.04060.52580.07910.10430.01680.02850.15670.01360.0912-3.6327101.1054-43.675
502.5909-0.53430.8130.2405-0.25590.5266-0.17450.26680.25660.1794-0.2336-0.7372-0.38370.80280.26350.1257-0.0127-0.00510.1899-0.02850.36382.4938102.4107-36.0186
510.52590.026-0.128-0.00070.00470.5092-0.0581-0.18960.0411-0.00660.0543-0.05550.16320.08830.08660.20010.07650.00010.0788-0.05370.0843-11.614392.6218-32.3715
520.2707-0.2390.07570.7033-0.32870.161-0.1663-0.154-0.00860.24460.31670.14720.1518-0.2261-0.0310.32260.097-0.02630.15970.0680.0982-16.42292.5697-21.4632
530.8402-0.55540.00593.1411-0.49360.37660.00210.10590.03570.11490.1810.22950.22060.0549-0.02040.41740.05110.09810.08740.05990.2357-14.358779.0266-23.6269
540.7752.00280.92376.08493.29722.24380.1462-0.015-0.3157-0.8239-0.16910.20620.95540.0268-0.12490.73460.0734-0.12070.0238-0.02460.1955-15.392969.3194-26.3233
550.09590.4242-0.00941.872-0.04280.00160.08890.0286-0.1187-0.6802-0.09530.10220.37310.0256-0.00020.9670.1304-0.0481-0.1048-0.090.1114-16.222664.9687-33.5195
560.1492-0.4439-0.19081.33730.59411.18390.02120.0321-0.17170.01090.0311-0.06711.15070.2262-0.09580.68730.21770.0467-0.161-0.15840.0585-17.108470.778-47.8664
570.55320.31290.13940.21270.17360.99910.04480.1501-0.234-0.05270.0697-0.08450.7660.3396-0.13810.52090.19110.00820.1696-0.05790.0539-13.243979.7556-50.951
582.24820.8532-1.51783.1068-1.02481.7850.05090.52430.0484-0.3433-0.0759-0.27080.4399-0.56780.08940.5382-0.01790.05850.39570.05210.1315-35.235184.1059-54.9209
590.0965-0.04760.01330.8031-1.05531.40130.143-0.03280.0558-0.2162-0.00280.07030.9725-0.1938-0.14960.5142-0.0749-0.04920.0084-0.09840.0281-27.422373.3558-47.1582
601.96291.2494-0.02887.5822-0.39570.02140.0423-0.2455-0.0757-0.64650.3493-0.0990.1692-0.0464-0.27050.6223-0.3388-0.01790.34630.13580.3411-32.187969.3744-38.5014
610.2-0.0522-0.11220.7060.4470.3954-0.0920.0583-0.04810.15070.05840.13240.520.0085-0.01150.55520.0522-0.02190.0145-0.02340.1081-15.263974.4174-37.59
621.2728-0.64-0.29421.04690.13770.1463-0.2732-0.0258-0.1125-0.00490.30260.05560.10490.3172-0.08030.46690.02160.06570.85390.14740.0755-30.461381.8966-84.642
631.61930.1975-0.05160.1470.07920.4704-0.32250.20670.0890.11230.19520.05730.24540.51460.16540.293-0.0425-0.06370.347-0.01540.0537-29.246491.2687-83.5169
640.11520.10570.38030.23070.58041.6589-0.11540.15290.03870.03420.2594-0.18170.1046-0.2782-0.05340.2753-0.0784-0.03150.3467-0.00490.1587-29.4286100.9068-82.0932
650.9463-0.4813-1.05682.62951.22131.37880.17680.2981-0.0021-0.6032-0.01130.02180.2046-0.4834-0.25470.3898-0.0419-0.13070.49980.12050.0741-30.9792111.2882-77.7863
662.0269-2.09-1.15382.56830.38742.22220.12530.09280.0362-0.18950.2081-0.17550.1155-0.1564-0.24810.4151-0.0097-0.02160.10350.0480.1887-26.7382115.4244-69.4437
671.31860.10340.59660.3929-0.17521.2249-0.12340.30160.0609-0.00030.06940.0020.08580.29350.09620.12560.03580.04360.0717-0.01270.0778-18.8141103.5933-58.2516
681.22950.64110.34961.0355-0.47730.7218-0.0031-0.0628-0.3527-0.15830.02050.11910.1973-0.2121-0.14530.2736-0.11320.02430.1332-0.00420.1883-33.985593.6885-45.4651
690.6270.5174-0.21621.2235-0.01541.6866-0.13570.09870.1205-0.17940.04080.42760.3301-0.32780.1315-0.01210.13010.09950.0974-0.0971-0.0303-31.8295104.9928-55.5053
703.0443-1.16852.21690.9186-1.13231.94920.0095-0.2588-0.0044-0.1537-0.14960.15510.0569-0.33380.04970.06540.08770.00670.6536-0.19070.2352-40.4271108.1575-61.2456
711.27380.5458-0.12230.7983-0.07320.0728-0.05710.3113-0.1753-0.2637-0.0405-0.1625-0.01860.10090.06850.22860.03560.02620.14580.0417-0.0121-24.8695105.4857-69.3179
720.4502-0.3643-0.19743.18720.81370.2468-0.57370.13190.2671-0.05650.19610.0185-0.32670.31760.32240.5945-0.1153-0.20730.47620.03550.2188-18.312115.9719-76.2606
731.38180.820.08361.55810.32110.1874-0.60410.37950.0514-0.27920.41510.1017-0.47990.37210.22960.3629-0.0516-0.04510.40210.04760.0202-20.4361108.307-80.2078
740.1838-0.03890.45440.21640.7534.5714-0.20280.28180.00170.18370.11660.09450.58160.19270.18790.3417-0.00540.08580.58190.15110.0624-20.993299.7191-84.0748
751.7478-0.4288-0.74352.4876-1.09681.0019-0.05140.77360.1019-0.58080.10050.110.20510.3419-0.04210.48050.0458-0.0850.38760.05520.0349-20.452991.0145-88.809
761.95421.1245-0.26971.7123-0.18410.0384-0.21960.5943-0.068-0.0630.3748-0.0979-0.05630.13-0.04850.30860.0888-0.02480.4654-0.06180.0336-19.173382.669-85.3758
770.73240.25220.91670.3727-0.40532.86080.1740.3748-0.0546-0.20580.060.04171.09320.22750.88190.48880.12190.04160.1916-0.1301-0.0952-20.539181.6824-65.5086
780.7143-0.0131-1.17240.2303-0.10791.99760.087-0.36940.1239-0.4136-0.0671-0.11160.67721.0984-0.00650.41740.18180.07370.8721-0.14050.1869-0.316684.9945-56.8311
790.7846-0.4474-0.27921.0008-0.58223.0144-0.06570.34210.1343-0.0996-0.0299-0.3410.97870.91890.08230.4750.3130.06670.564-0.0304-0.0628-8.201380.494-68.6781
803.9738-3.5174-0.09243.45840.00050.02110.1240.85960.0058-0.2903-0.0397-0.24090.2437-0.1749-0.04610.49730.39130.12841.2789-0.10240.082-3.456586.6406-79.5401
810.43440.01750.42660.53270.23171.93160.070.27110.0552-0.40120.0522-0.06750.50920.5567-0.01280.38020.11350.05880.2938-0.10620.0448-19.92587.1609-76.3346
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(CHAIN A AND RESID -6:3)
2X-RAY DIFFRACTION2(CHAIN A AND RESID 4:15)
3X-RAY DIFFRACTION3(CHAIN A AND RESID 16:20)
4X-RAY DIFFRACTION4(CHAIN A AND RESID 21:27)
5X-RAY DIFFRACTION5(CHAIN A AND RESID 28:34)
6X-RAY DIFFRACTION6(CHAIN A AND RESID 35:60)
7X-RAY DIFFRACTION7(CHAIN A AND RESID 61:96)
8X-RAY DIFFRACTION8(CHAIN A AND RESID 97:103)
9X-RAY DIFFRACTION9(CHAIN A AND RESID 104:151)
10X-RAY DIFFRACTION10(CHAIN A AND RESID 152:158)
11X-RAY DIFFRACTION11(CHAIN A AND RESID 159:195)
12X-RAY DIFFRACTION12(CHAIN B AND RESID 3:7)
13X-RAY DIFFRACTION13(CHAIN B AND RESID 8:18)
14X-RAY DIFFRACTION14(CHAIN B AND RESID 19:26)
15X-RAY DIFFRACTION15(CHAIN B AND RESID 27:31)
16X-RAY DIFFRACTION16(CHAIN B AND RESID 32:36)
17X-RAY DIFFRACTION17(CHAIN B AND RESID 37:95)
18X-RAY DIFFRACTION18(CHAIN B AND RESID 96:103)
19X-RAY DIFFRACTION19(CHAIN B AND RESID 104:156)
20X-RAY DIFFRACTION20(CHAIN B AND RESID 157:161)
21X-RAY DIFFRACTION21(CHAIN B AND RESID 162:195)
22X-RAY DIFFRACTION22(CHAIN C AND RESID 4:15)
23X-RAY DIFFRACTION23(CHAIN C AND RESID 16:20)
24X-RAY DIFFRACTION24(CHAIN C AND RESID 21:27)
25X-RAY DIFFRACTION25(CHAIN C AND RESID 28:34)
26X-RAY DIFFRACTION26(CHAIN C AND RESID 35:95)
27X-RAY DIFFRACTION27(CHAIN C AND RESID 96:103)
28X-RAY DIFFRACTION28(CHAIN C AND RESID 104:138)
29X-RAY DIFFRACTION29(CHAIN C AND RESID 139:156)
30X-RAY DIFFRACTION30(CHAIN C AND RESID 157:161)
31X-RAY DIFFRACTION31(CHAIN C AND RESID 162:195)
32X-RAY DIFFRACTION32(CHAIN D AND RESID 3:7)
33X-RAY DIFFRACTION33(CHAIN D AND RESID 8:16)
34X-RAY DIFFRACTION34(CHAIN D AND RESID 17:21)
35X-RAY DIFFRACTION35(CHAIN D AND RESID 22:30)
36X-RAY DIFFRACTION36(CHAIN D AND RESID 31:36)
37X-RAY DIFFRACTION37(CHAIN D AND RESID 37:95)
38X-RAY DIFFRACTION38(CHAIN D AND RESID 96:103)
39X-RAY DIFFRACTION39(CHAIN D AND RESID 104:156)
40X-RAY DIFFRACTION40(CHAIN D AND RESID 157:161)
41X-RAY DIFFRACTION41(CHAIN D AND RESID 162:195)
42X-RAY DIFFRACTION42(CHAIN E AND RESID 3:7)
43X-RAY DIFFRACTION43(CHAIN E AND RESID 8:17)
44X-RAY DIFFRACTION44(CHAIN E AND RESID 18:26)
45X-RAY DIFFRACTION45(CHAIN E AND RESID 27:34)
46X-RAY DIFFRACTION46(CHAIN E AND RESID 35:60)
47X-RAY DIFFRACTION47(CHAIN E AND RESID 61:96)
48X-RAY DIFFRACTION48(CHAIN E AND RESID 97:103)
49X-RAY DIFFRACTION49(CHAIN E AND RESID 104:156)
50X-RAY DIFFRACTION50(CHAIN E AND RESID 157:161)
51X-RAY DIFFRACTION51(CHAIN E AND RESID 162:195)
52X-RAY DIFFRACTION52(CHAIN F AND RESID 4:16)
53X-RAY DIFFRACTION53(CHAIN F AND RESID 17:21)
54X-RAY DIFFRACTION54(CHAIN F AND RESID 22:27)
55X-RAY DIFFRACTION55(CHAIN F AND RESID 28:34)
56X-RAY DIFFRACTION56(CHAIN F AND RESID 35:60)
57X-RAY DIFFRACTION57(CHAIN F AND RESID 61:95)
58X-RAY DIFFRACTION58(CHAIN F AND RESID 96:103)
59X-RAY DIFFRACTION59(CHAIN F AND RESID 104:154)
60X-RAY DIFFRACTION60(CHAIN F AND RESID 155:159)
61X-RAY DIFFRACTION61(CHAIN F AND RESID 160:195)
62X-RAY DIFFRACTION62(CHAIN G AND RESID 4:8)
63X-RAY DIFFRACTION63(CHAIN G AND RESID 9:16)
64X-RAY DIFFRACTION64(CHAIN G AND RESID 17:21)
65X-RAY DIFFRACTION65(CHAIN G AND RESID 22:30)
66X-RAY DIFFRACTION66(CHAIN G AND RESID 31:36)
67X-RAY DIFFRACTION67(CHAIN G AND RESID 37:96)
68X-RAY DIFFRACTION68(CHAIN G AND RESID 97:103)
69X-RAY DIFFRACTION69(CHAIN G AND RESID 104:154)
70X-RAY DIFFRACTION70(CHAIN G AND RESID 155:159)
71X-RAY DIFFRACTION71(CHAIN G AND RESID 160:195)
72X-RAY DIFFRACTION72(CHAIN H AND RESID 4:8)
73X-RAY DIFFRACTION73(CHAIN H AND RESID 9:15)
74X-RAY DIFFRACTION74(CHAIN H AND RESID 16:20)
75X-RAY DIFFRACTION75(CHAIN H AND RESID 21:27)
76X-RAY DIFFRACTION76(CHAIN H AND RESID 28:34)
77X-RAY DIFFRACTION77(CHAIN H AND RESID 35:96)
78X-RAY DIFFRACTION78(CHAIN H AND RESID 97:103)
79X-RAY DIFFRACTION79(CHAIN H AND RESID 104:151)
80X-RAY DIFFRACTION80(CHAIN H AND RESID 152:158)
81X-RAY DIFFRACTION81(CHAIN H AND RESID 159:195)

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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

他の情報も見る