- PDB-2lfh: Solution NMR Structure of the Helix-loop-Helix Domain of Human ID... -
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基本情報
登録情報
データベース: PDB / ID: 2lfh
タイトル
Solution NMR Structure of the Helix-loop-Helix Domain of Human ID3 Protein, Northeast Structural Genomics Consortium Target HR3111A
要素
DNA-binding protein inhibitor ID-3
キーワード
DNA binding protein inhibitor / Structural Genomics / NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) / PSI-Biology / Protein Structure Initiative / Helix-loop-helix
機能・相同性
機能・相同性情報
cellular response to leptomycin B / leptomycin B binding / : / notochord development / multicellular organism development / negative regulation of myoblast differentiation / NGF-stimulated transcription / metanephros development / transcription regulator inhibitor activity / odontogenesis ...cellular response to leptomycin B / leptomycin B binding / : / notochord development / multicellular organism development / negative regulation of myoblast differentiation / NGF-stimulated transcription / metanephros development / transcription regulator inhibitor activity / odontogenesis / muscle organ development / regulation of DNA replication / transcription factor binding / negative regulation of osteoblast differentiation / epithelial cell differentiation / central nervous system development / circadian regulation of gene expression / neuron differentiation / negative regulation of DNA-binding transcription factor activity / response to wounding / heart development / cell differentiation / protein dimerization activity / regulation of cell cycle / positive regulation of apoptotic process / protein domain specific binding / negative regulation of DNA-templated transcription / positive regulation of gene expression / negative regulation of transcription by RNA polymerase II / nucleus / cytoplasm 類似検索 - 分子機能
DNA-bindingproteininhibitorID-3 / Class B basic helix-loop-helix protein 25 / bHLHb25 / Helix-loop-helix protein HEIR-1 / ID-like ...Class B basic helix-loop-helix protein 25 / bHLHb25 / Helix-loop-helix protein HEIR-1 / ID-like protein inhibitor HLH 1R21 / Inhibitor of DNA binding 3
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY
1
8
1
3DHN(CA)CO
1
9
1
3D (H)CCH-COSY aliphatic
1
10
1
3D (H)CCH-TOCSY aliphatic
1
11
1
3DHBHA(CO)NH
1
12
1
2D 1H-15N LR-HSQC for histidines
1
13
1
1D15NT1
1
14
1
1D15NT2
1
15
2
2D 1H-13C CT-HSQC methyl
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試料調製
詳細
Solution-ID
内容
溶媒系
1
0.9 mM [U-100% 13C; U-100% 15N] HR3111A, 100 mM sodium chloride, 10 mM DTT, 10 mM TRIS, 0.02 % sodium azide, 90% H2O/10% D2O
90% H2O/10% D2O
2
0.5 mM [5% 13C; U-100% 15N] HR3111A, 100 mM sodium chloride, 10 mM DTT, 10 mM TRIS, 0.02 % sodium azide, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.9mM
HR3111A-1
[U-100% 13C; U-100% 15N]
1
100mM
sodium chloride-2
1
10mM
DTT-3
1
10mM
TRIS-4
1
0.02 %
sodium azide-5
1
0.5mM
HR3111A-6
[5% 13C; U-100% 15N]
2
100mM
sodium chloride-7
2
10mM
DTT-8
2
10mM
TRIS-9
2
0.02 %
sodium azide-10
2
試料状態
pH: 7.5 / 圧: ambient / 温度: 298 K
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NMR測定
NMRスペクトロメーター
タイプ
製造業者
モデル
磁場強度 (MHz)
Spectrometer-ID
Varian INOVA
Varian
INOVA
750
1
Varian INOVA
Varian
INOVA
500
2
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解析
NMR software
名称
バージョン
開発者
分類
CNS
1.2
Brunger, Adams, Clore, Gros, NilgesandRead
refinement,structuresolution,geometryoptimization
CYANA
3
Guntert, MumenthalerandWuthrich
refinement,geometryoptimization,structuresolution
AutoStructure
2.2.1
Huang, Tejero, PowersandMontelione
データ解析
AutoAssign
2.3.0
Zimmerman, Moseley, KulikowskiandMontelione
dataanalysis,chemicalshiftassignment
CARA
1.8.4
KellerandWuthrich
データ解析
CARA
1.8.4
KellerandWuthrich
chemicalshiftassignment
CARA
1.8.4
KellerandWuthrich
peakpicking
XEASY
1.3.13
Bartelsetal.
データ解析
PROSA
6.4
Guntert
解析
VnmrJ
2.2D
Varian
collection
TALOS+
1.2009.0721.18
Shen, Cornilescu, DelaglioandBax
geometryoptimization
CNS
Brunger, Adams, Clore, Gros, NilgesandRead
精密化
精密化
手法: simulated annealing / ソフトェア番号: 1 詳細: Structure determination was performed using CYANA with NOE-based constraints and PHI and PSI dihedral angle constraints from TALOS+. The 20 conformers out of 100 with the lowest target ...詳細: Structure determination was performed using CYANA with NOE-based constraints and PHI and PSI dihedral angle constraints from TALOS+. The 20 conformers out of 100 with the lowest target function were further refined by simulated annealing in explicit water bath using the program CNS with PARAM19 force field
NMR constraints
NOE constraints total: 1400 / NOE intraresidue total count: 524 / NOE long range total count: 238 / NOE medium range total count: 278 / NOE sequential total count: 360 / Protein chi angle constraints total count: 0 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 89 / Protein psi angle constraints total count: 89
代表構造
選択基準: lowest energy
NMRアンサンブル
コンフォーマー選択の基準: target function / 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 20