- PDB-2pwn: Crystal structure of BET3 homolog (13277653) from Mus musculus at... -
+
データを開く
IDまたはキーワード:
読み込み中...
-
基本情報
登録情報
データベース: PDB / ID: 2pwn
タイトル
Crystal structure of BET3 homolog (13277653) from Mus musculus at 2.04 A resolution
要素
Trafficking protein particle complex subunit 3
キーワード
TRANSPORT PROTEIN / 13277653 / Transport protein particle (TRAPP) component / Bet3 / BET3 homolog / Structural Genomics / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI-2
機能・相同性
機能・相同性情報
vesicle coating / vesicle tethering / RAB GEFs exchange GTP for GDP on RABs / COPII-mediated vesicle transport / TRAPPII protein complex / TRAPPIII protein complex / TRAPP complex / cis-Golgi network membrane / COPII vesicle coating / intra-Golgi vesicle-mediated transport ...vesicle coating / vesicle tethering / RAB GEFs exchange GTP for GDP on RABs / COPII-mediated vesicle transport / TRAPPII protein complex / TRAPPIII protein complex / TRAPP complex / cis-Golgi network membrane / COPII vesicle coating / intra-Golgi vesicle-mediated transport / endoplasmic reticulum to Golgi vesicle-mediated transport / Golgi membrane / endoplasmic reticulum / cytoplasm / cytosol 類似検索 - 分子機能
Trafficking protein particle complex subunit 3 / Bet3 family / Transport protein particle (TRAPP) component / Transport protein particle (TRAPP) component / Muramoyl-pentapeptide Carboxypeptidase; domain 2 / NO signalling/Golgi transport ligand-binding domain superfamily / 2-Layer Sandwich / Alpha Beta 類似検索 - ドメイン・相同性
解像度: 2.04→23.156 Å / Num. obs: 12800 / % possible obs: 99.8 % / 冗長度: 5.5 % / Biso Wilson estimate: 38.47 Å2 / Rmerge(I) obs: 0.07 / Rsym value: 0.07 / Net I/σ(I): 14
反射 シェル
Diffraction-ID: 1
解像度 (Å)
冗長度 (%)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured all
Num. unique all
Rsym value
% possible all
2.04-2.09
4.7
0.687
2.1
4286
921
0.687
100
2.09-2.15
5
0.541
1.3
4531
902
0.541
100
2.15-2.21
5.5
0.472
1.5
4901
886
0.472
100
2.21-2.28
5.8
0.294
2.2
4995
868
0.294
100
2.28-2.36
5.8
0.241
2.9
4857
840
0.241
100
2.36-2.44
5.8
0.197
3.4
4612
798
0.197
100
2.44-2.53
5.8
0.165
4.1
4472
774
0.165
100
2.53-2.63
5.8
0.133
5.2
4412
763
0.133
100
2.63-2.75
5.7
0.11
6.3
4241
740
0.11
100
2.75-2.89
5.8
0.096
6.8
3978
683
0.096
100
2.89-3.04
5.7
0.08
8.4
3753
658
0.08
100
3.04-3.23
5.7
0.067
9.7
3627
631
0.067
100
3.23-3.45
5.7
0.061
10.4
3375
595
0.061
100
3.45-3.72
5.6
0.058
11.1
3153
561
0.058
100
3.72-4.08
5.6
0.054
11.3
2846
509
0.054
100
4.08-4.56
5.5
0.052
11.1
2628
475
0.052
99.9
4.56-5.27
5.5
0.049
12
2249
412
0.049
99.9
5.27-6.45
5.4
0.052
11.1
1908
356
0.052
99.4
6.45-9.12
5.1
0.047
13.2
1419
276
0.047
98.4
9.12-23.17
4.8
0.051
9.8
725
152
0.051
90.9
-
位相決定
位相決定
手法: 多波長異常分散
-
解析
ソフトウェア
名称
バージョン
分類
NB
MolProbity
3beta29
モデル構築
SHELX
位相決定
REFMAC
5.2.0005
精密化
SCALA
データスケーリング
PDB_EXTRACT
2
データ抽出
ADSC
Quantum
データ収集
MOSFLM
データ削減
SHELXD
位相決定
SHARP
位相決定
精密化
構造決定の手法: 多波長異常分散 / 解像度: 2.04→23.156 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.94 / SU B: 8.436 / SU ML: 0.115 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.166 / ESU R Free: 0.162 立体化学のターゲット値: MAXIMUM LIKELIHOOD WITH PHASES 詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. 3. MYRISTIC ACID MODELED BASED ON RELATED STRUCTURE (1WC9). 4. CYS 68 IS COVALENTLY ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. 3. MYRISTIC ACID MODELED BASED ON RELATED STRUCTURE (1WC9). 4. CYS 68 IS COVALENTLY BOUND TO MYRISTIC ACID. 5. THERE WAS INSUFFICIENT DENSITY TO MODEL RESIDUES 117-120.
Rfactor
反射数
%反射
Selection details
Rfree
0.237
623
4.9 %
RANDOM
Rwork
0.183
-
-
-
all
0.185
-
-
-
obs
0.185
12770
99.74 %
-
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: 41.498 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.53 Å2
0.27 Å2
0 Å2
2-
-
0.53 Å2
0 Å2
3-
-
-
-0.8 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.04→23.156 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1197
0
15
73
1285
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.016
0.022
1266
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
1190
X-RAY DIFFRACTION
r_angle_refined_deg
1.381
1.967
1713
X-RAY DIFFRACTION
r_angle_other_deg
0.835
3
2743
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.125
5
164
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
33.545
24.286
56
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.646
15
215
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
15.242
15
8
X-RAY DIFFRACTION
r_chiral_restr
0.087
0.2
200
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
1408
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
255
X-RAY DIFFRACTION
r_nbd_refined
0.236
0.2
239
X-RAY DIFFRACTION
r_nbd_other
0.168
0.2
1094
X-RAY DIFFRACTION
r_nbtor_refined
0.178
0.2
634
X-RAY DIFFRACTION
r_nbtor_other
0.082
0.2
766
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.158
0.2
62
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.223
0.2
10
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.15
0.2
37
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.133
0.2
3
X-RAY DIFFRACTION
r_mcbond_it
2.132
3
814
X-RAY DIFFRACTION
r_mcbond_other
0.505
3
329
X-RAY DIFFRACTION
r_mcangle_it
3.323
5
1276
X-RAY DIFFRACTION
r_scbond_it
5.267
8
505
X-RAY DIFFRACTION
r_scangle_it
7.537
11
433
LS精密化 シェル
解像度: 2.04→2.093 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.305
47
-
Rwork
0.25
878
-
obs
-
925
98.93 %
精密化 TLS
手法: refined / Origin x: 35.842 Å / Origin y: 39.124 Å / Origin z: 8.13 Å