- PDB-7ya4: Formate dehydrogenase from Novosphingobium sp. AP12 with NAD and Azide -
+
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基本情報
登録情報
データベース: PDB / ID: 7ya4
タイトル
Formate dehydrogenase from Novosphingobium sp. AP12 with NAD and Azide
要素
Formate dehydrogenase
キーワード
OXIDOREDUCTASE / Formate dehydrogenase / Complex / NAD
機能・相同性
機能・相同性情報
formate catabolic process / formate dehydrogenase / formate dehydrogenase (NAD+) activity / oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor / NAD binding / cytoplasm 類似検索 - 分子機能
NAD-dependent formate dehydrogenase / D-isomer specific 2-hydroxyacid dehydrogenases signature 2. / D-isomer specific 2-hydroxyacid dehydrogenase, NAD-binding domain conserved site / D-isomer specific 2-hydroxyacid dehydrogenase, catalytic domain / D-isomer specific 2-hydroxyacid dehydrogenase, catalytic domain / D-isomer specific 2-hydroxyacid dehydrogenase, NAD-binding domain / D-isomer specific 2-hydroxyacid dehydrogenase, NAD binding domain / NAD(P)-binding domain superfamily 類似検索 - ドメイン・相同性
ACETATE ION / AZIDE ION / NICOTINAMIDE-ADENINE-DINUCLEOTIDE / Formate dehydrogenase 類似検索 - 構成要素
解像度: 1.8→34.138 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.95 / SU B: 2.5 / SU ML: 0.076 / 交差検証法: THROUGHOUT / ESU R: 0.114 / ESU R Free: 0.109 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.1908
7007
4.988 %
Rwork
0.1552
133479
-
all
0.157
-
-
obs
-
140486
97.707 %
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 BULK SOLVENT
原子変位パラメータ
Biso mean: 17.076 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.855 Å2
-0 Å2
-1.96 Å2
2-
-
1.168 Å2
0 Å2
3-
-
-
-1.312 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.8→34.138 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
11796
0
135
965
12896
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.012
12231
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.016
11110
X-RAY DIFFRACTION
r_angle_refined_deg
1.533
1.641
16612
X-RAY DIFFRACTION
r_angle_other_deg
0.527
1.555
25920
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.136
5
1513
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
10.777
10
72
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.134
10
1994
X-RAY DIFFRACTION
r_dihedral_angle_6_deg
16.154
10
530
X-RAY DIFFRACTION
r_chiral_restr
0.078
0.2
1810
X-RAY DIFFRACTION
r_gen_planes_refined
0.009
0.02
13849
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
2350
X-RAY DIFFRACTION
r_nbd_refined
0.219
0.2
2341
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.183
0.2
10387
X-RAY DIFFRACTION
r_nbtor_refined
0.176
0.2
5901
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.078
0.2
6054
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.129
0.2
774
X-RAY DIFFRACTION
r_metal_ion_refined
0.069
0.2
3
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.155
0.2
19
X-RAY DIFFRACTION
r_nbd_other
0.168
0.2
63
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.115
0.2
19
X-RAY DIFFRACTION
r_mcbond_it
1.346
1.705
6065
X-RAY DIFFRACTION
r_mcbond_other
1.338
1.704
6064
X-RAY DIFFRACTION
r_mcangle_it
1.826
2.55
7573
X-RAY DIFFRACTION
r_mcangle_other
1.826
2.55
7574
X-RAY DIFFRACTION
r_scbond_it
2.247
1.949
6166
X-RAY DIFFRACTION
r_scbond_other
2.247
1.949
6167
X-RAY DIFFRACTION
r_scangle_it
3.502
2.813
9039
X-RAY DIFFRACTION
r_scangle_other
3.502
2.813
9040
X-RAY DIFFRACTION
r_lrange_it
4.207
24.85
13747
X-RAY DIFFRACTION
r_lrange_other
4.17
24.456
13540
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20