- PDB-3r0j: Structure of PhoP from Mycobacterium tuberculosis -
+
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: 3r0j
タイトル
Structure of PhoP from Mycobacterium tuberculosis
要素
POSSIBLE TWO COMPONENT SYSTEM RESPONSE TRANSCRIPTIONAL POSITIVE REGULATOR PHOP
キーワード
DNA BINDING PROTEIN / beta-alpha fold / winged helix-turn-helix / transcription regulator / DNA binding
機能・相同性
機能・相同性情報
protein secretion by the type VII secretion system / glycolipid biosynthetic process / phosphorelay response regulator activity / positive regulation of lipid biosynthetic process / protein-DNA complex / response to oxidative stress / transcription cis-regulatory region binding / negative regulation of DNA-templated transcription / positive regulation of gene expression / positive regulation of DNA-templated transcription ...protein secretion by the type VII secretion system / glycolipid biosynthetic process / phosphorelay response regulator activity / positive regulation of lipid biosynthetic process / protein-DNA complex / response to oxidative stress / transcription cis-regulatory region binding / negative regulation of DNA-templated transcription / positive regulation of gene expression / positive regulation of DNA-templated transcription / regulation of DNA-templated transcription / metal ion binding / plasma membrane / cytosol 類似検索 - 分子機能
A: POSSIBLE TWO COMPONENT SYSTEM RESPONSE TRANSCRIPTIONAL POSITIVE REGULATOR PHOP B: POSSIBLE TWO COMPONENT SYSTEM RESPONSE TRANSCRIPTIONAL POSITIVE REGULATOR PHOP ヘテロ分子
モノクロメーター: Si 111 channel / プロトコル: MAD / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
ID
波長 (Å)
相対比
1
0.9804
1
2
0.98
1
3
0.9537
1
反射
解像度: 2.5→30 Å / Num. all: 22929 / Num. obs: 22929 / % possible obs: 99.3 % / Observed criterion σ(I): -3 / 冗長度: 8.5 % / Biso Wilson estimate: 46.7 Å2 / Rmerge(I) obs: 0.138 / Net I/σ(I): 16.6
反射 シェル
解像度: 2.5→2.54 Å / 冗長度: 8.6 % / Rmerge(I) obs: 0.765 / Mean I/σ(I) obs: 2.78 / Num. unique all: 1104 / % possible all: 98.3
-
解析
ソフトウェア
名称
バージョン
分類
HKL-2000
データ収集
PHENIX
モデル構築
REFMAC
5.5.0109
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: 多波長異常分散 / 解像度: 2.5→29.81 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.915 / SU B: 16.929 / SU ML: 0.178 / Isotropic thermal model: isotropic / 交差検証法: THROUGHOUT / ESU R Free: 0.256 / 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
Rfree
0.24515
1157
5.1 %
RANDOM
Rwork
0.21174
-
-
-
obs
0.21344
21622
98.57 %
-
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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 60.796 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-2.8 Å2
0 Å2
0 Å2
2-
-
3.32 Å2
0 Å2
3-
-
-
-0.52 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.5→29.81 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3514
0
30
78
3622
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.017
0.022
3598
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.589
1.988
4879
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.628
5
441
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
33.365
22.606
165
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.952
15.049
617
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
22.333
15
40
X-RAY DIFFRACTION
r_chiral_restr
0.107
0.2
564
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.021
2682
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
0.756
1.5
2205
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.458
2
3562
X-RAY DIFFRACTION
r_scbond_it
2.495
3
1393
X-RAY DIFFRACTION
r_scangle_it
4.048
4.5
1317
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
Refine LS restraints NCS
Dom-ID: 1 / Auth asym-ID: A / Refine-ID: X-RAY DIFFRACTION