+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1hyk | |||||||||
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タイトル | AGOUTI-RELATED PROTEIN (87-132) (AC-AGRP(87-132)) | |||||||||
要素 | AGOUTI RELATED PROTEIN | |||||||||
キーワード | SIGNALING PROTEIN / CYSTEINE RICH / DISULFIDE BOND / ICK / INHIBITOR CYSTINE KNOT / MELANOCORTIN ANTAGONISTS / AGOUTI / AGOUTI-RELATED / AGRP / ENDOGENOUS ANTAGONIST | |||||||||
機能・相同性 | 機能・相同性情報 long-day photoperiodism / type 1 melanocortin receptor binding / positive regulation of feeding behavior / adult feeding behavior / regulation of feeding behavior / neuropeptide hormone activity / feeding behavior / eating behavior / neuropeptide signaling pathway / maternal process involved in female pregnancy ...long-day photoperiodism / type 1 melanocortin receptor binding / positive regulation of feeding behavior / adult feeding behavior / regulation of feeding behavior / neuropeptide hormone activity / feeding behavior / eating behavior / neuropeptide signaling pathway / maternal process involved in female pregnancy / hormone-mediated signaling pathway / FOXO-mediated transcription of oxidative stress, metabolic and neuronal genes / response to insulin / circadian rhythm / Golgi lumen / signaling receptor binding / neuronal cell body / extracellular space 類似検索 - 分子機能 | |||||||||
手法 | 溶液NMR / torsion angle dynamics | |||||||||
データ登録者 | Bolin, K.A. / Anderson, D.J. / Trulson, J.A. / Thompson, D.A. / Wilken, J. / Kent, S.B.H. / Millhauser, G.L. | |||||||||
引用 | ジャーナル: FEBS Lett. / 年: 1999 タイトル: NMR structure of a minimized human agouti related protein prepared by total chemical synthesis. 著者: Bolin, K.A. / Anderson, D.J. / Trulson, J.A. / Thompson, D.A. / Wilken, J. / Kent, S.B. / Gantz, I. / Millhauser, G.L. #1: ジャーナル: Mol.Endocrinol. / 年: 1999 タイトル: Characterization of Agouti-Related Protein Binding to Melanocortin Receptors. 著者: Yang, Y.K. / Thompson, D.A. / Dickinson, C.J. / Wilken, J. / Barsh, G.S. / Kent, S.B. / Gantz, I. #2: ジャーナル: Biochemistry / 年: 1998 タイトル: Determination of Disulfide Structure in Agouti-Related Protein (Agrp) by Stepwise Reduction and Alkylation 著者: Bures, E.J. / Hui, J.O. / Young, Y. / Chow, D.T. / Katta, V. / Rohde, M.F. / Zeni, L. / Rosenfeld, R.D. / Stark, K.L. / Haniu, M. | |||||||||
履歴 |
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-構造の表示
構造ビューア | 分子: MolmilJmol/JSmol |
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-ダウンロードとリンク
-ダウンロード
PDBx/mmCIF形式 | 1hyk.cif.gz | 530.2 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb1hyk.ent.gz | 457.5 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1hyk.json.gz | ツリー表示 | PDBx/mmJSON形式 | |
その他 | その他のダウンロード |
-検証レポート
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/hy/1hyk ftp://data.pdbj.org/pub/pdb/validation_reports/hy/1hyk | HTTPS FTP |
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-関連構造データ
-リンク
-集合体
登録構造単位 |
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1 |
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NMR アンサンブル |
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-要素
#1: タンパク質・ペプチド | 分子量: 5207.157 Da / 分子数: 1 / 断片: C-TERMINAL DOMAIN AC-AGRP(87-132) / 由来タイプ: 合成 詳細: This sequence is the native sequence for the cystine-rich C-terminal domain of the human agouti-related protein. The N-terminal acetylation at residue 87 (the first residue of the sequence) ...詳細: This sequence is the native sequence for the cystine-rich C-terminal domain of the human agouti-related protein. The N-terminal acetylation at residue 87 (the first residue of the sequence) is non-native and done only to prevent a non-native positively charged amino terminus in the synthetic fragment. Synthesis was by means of standard BOC-based solid-phase peptide synthesis followed by refolding and oxidation of cysteines to cystines. 参照: UniProt: O00253 |
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-実験情報
-実験
実験 | 手法: 溶液NMR | ||||||||||||||||
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NMR実験 |
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NMR実験の詳細 | Text: STANDARD 2D HOMONUCLEAR TECHNIQUES WERE USED TO ASSIGN SPECTRA ACQUIRED OVER THE TEMPERATURE RANGE 288- 303 K. A SUBSET OF UNAMBIGUOUSLY ASSIGNED NOE PEAKS TAKEN FROM DATA ACQUIRED AT 288 K ...Text: STANDARD 2D HOMONUCLEAR TECHNIQUES WERE USED TO ASSIGN SPECTRA ACQUIRED OVER THE TEMPERATURE RANGE 288- 303 K. A SUBSET OF UNAMBIGUOUSLY ASSIGNED NOE PEAKS TAKEN FROM DATA ACQUIRED AT 288 K WITH AN 150 MS MIXING TIME WERE USED IN STRUCTURE CALCULATIONS, AS WERE 34 PHI BACKBONE ANGLE RESTRAINTS DERIVED FROM FITTING OF DQF- COSY CROSSPEAKS. BOTH CARRIER PRESATURATION AND Z- GRADIENT WET TECHNIQUES WERE USED FOR SOLVENT SUPPRESSION. New experiments from 1qu8 are E-COSY at 500 MHz and 150 msec 2D-NOESY at 800 MHz, 288K. |
-試料調製
詳細 | 内容: 1.9 MM Ac-AGRP(87-132) (same as 1.9 MM MARP of 1qu8) 溶媒系: 50 MM PHOSPHATE BUFFER PH 5.0 (pH is changed from pH=4.2 in 1qu8) |
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試料状態 | イオン強度: 50mM PHOSPHATE / pH: 5 / 圧: 1 atm / 温度: 288.00 K |
結晶化 | *PLUS 手法: other / 詳細: NMR |
-NMR測定
NMRスペクトロメーター | タイプ: Varian UNITYPLUS / 製造業者: Varian / モデル: UNITYPLUS / 磁場強度: 800 MHz |
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-解析
NMR software |
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精密化 | 手法: torsion angle dynamics / ソフトェア番号: 1 詳細: The preliminary structure calculation and restraint quality assessment was performed in DYANA v 1.5, so that out of 200 structures the 20 with the lowest target functions would have target ...詳細: The preliminary structure calculation and restraint quality assessment was performed in DYANA v 1.5, so that out of 200 structures the 20 with the lowest target functions would have target function vaules of < 3.0 square angstroms. The lowest target function structure of this family was then submitted as a pre-folded structure in CNS v. 1.0, and 40 structures calculated under cool (< 288K) simulated annealing and conjugate gradient energy minimization. These calculations were carried out in the presence of experimnetal NOE and J-coupling restraints as well as assigned hydrogen bonds consistent with HX protection. DYANA 1.5: 799 unique NOE's from 800 MHz data, 444 resulting distance restraints after pseudoatom calculation/replacement and removal of NOE's between atoms separated by only two or three bonds. 35 alpha-H to amide-H 3-bond J-coupling constants and 44 alpha-H to beta-H 3-bond J-coupling constants from ECOSY data were also included. Disulfides and seven hydrogen bonds as determinied from surrounding NOE's and HX data were included as pseudo-NOE restraints. CNS 1.0, patch level 0: 504 distance restraints from 800 MHz NOE data, corresponding to the same upper limit restraints as used in the final round of DYANA 1.5 calulations (conversion using AQUA 2.0 in PROCHECK_NMR, and modified lower limit of 1.6 angstroms was imposed on all NOE restraints while keeping upper bounds). Disulfide map was incorporated into the covalent structure of the molecule and thereby strictly enforced in this step. The seven hydrogen bonds were included in a separate restraint file. 34 alpha-H to amide-H 3-bond J-coupling constants (not including CYS-87 amide mesurement) were also included. 40 structures were so calculated and all are deposited here. | ||||||||||||||||||||||||||||
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: see refinement method and details 計算したコンフォーマーの数: 40 / 登録したコンフォーマーの数: 40 |