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基本情報
登録情報 | データベース: PDB / ID: 1adn | ||||||
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タイトル | SOLUTION STRUCTURE OF THE DNA METHYLPHOSPHOTRIESTER REPAIR DOMAIN OF ESCHERICHIA COLI ADA | ||||||
![]() | N-ADA 10 | ||||||
![]() | TRANSCRIPTION REGULATION | ||||||
機能・相同性 | ![]() : / methylated-DNA-[protein]-cysteine S-methyltransferase / methylated-DNA-[protein]-cysteine S-methyltransferase activity / : / DNA alkylation repair / methylation / sequence-specific DNA binding / DNA-binding transcription factor activity / negative regulation of DNA-templated transcription / DNA damage response ...: / methylated-DNA-[protein]-cysteine S-methyltransferase / methylated-DNA-[protein]-cysteine S-methyltransferase activity / : / DNA alkylation repair / methylation / sequence-specific DNA binding / DNA-binding transcription factor activity / negative regulation of DNA-templated transcription / DNA damage response / positive regulation of DNA-templated transcription / zinc ion binding 類似検索 - 分子機能 | ||||||
生物種 | ![]() ![]() | ||||||
手法 | 溶液NMR | ||||||
![]() | Myers, L.C. / Verdine, G.L. / Wagner, G. | ||||||
![]() | ![]() タイトル: Solution structure of the DNA methyl phosphotriester repair domain of Escherichia coli Ada. 著者: Myers, L.C. / Verdine, G.L. / Wagner, G. #1: ![]() タイトル: Repair of DNA Methylphosphotriesters Through a Metalloactivated Cysteine Nucleophile 著者: Myers, L.C. / Terranova, M.P. / Ferentz, A.E. / Wagner, G. / Verdine, G.L. | ||||||
履歴 |
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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PDBx/mmCIF形式 | ![]() | 227.5 KB | 表示 | ![]() |
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PDB形式 | ![]() | 173.2 KB | 表示 | ![]() |
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その他 | ![]() |
-検証レポート
文書・要旨 | ![]() | 352.5 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 488.2 KB | 表示 | |
XML形式データ | ![]() | 48.2 KB | 表示 | |
CIF形式データ | ![]() | 63.7 KB | 表示 | |
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
-関連構造データ
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リンク
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集合体
登録構造単位 | ![]()
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NMR アンサンブル |
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要素
#1: タンパク質 | 分子量: 10469.978 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) ![]() ![]() |
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#2: 化合物 | ChemComp-ZN / |
-実験情報
-実験
実験 | 手法: 溶液NMR |
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試料調製
結晶化 | *PLUS 手法: other / 詳細: NMR |
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解析
NMR software | 名称: DGII / 開発者: HAVEL / 分類: 精密化 |
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精密化 | ソフトェア番号: 1 詳細: DATA WERE COLLECTED AT PH 6.4 AND AT 25 DEGREES CELSIUS. RESTRAINTS USED FOR THE STRUCTURE CALCULATIONS INCLUDED 547 NOE RESTRAINTS CONSISTING OF 108 INTRA-RESIDUE, 175 SEQUENTIAL, 91 MEDIUM (1<|I-J|<6) AND 173 LONG RANGE NOES. ADDITIONALLY, 50 HYDROGEN BONDING DISTANCES AS WELL AS DIHEDRAL ANGLE RESTRAINTS FOR 69 PHI ANGLES AND 8 CHI-1 ANGLES WERE INCLUDED. STEREOSPECIFIC ASSIGNMENTS HAVE BEEN MADE FOR THE METHYLENE PROTONS OF ASN 22, CYS 42, ASN 51, SER 53, PHE 54 AND TYR 55. STEREOSPECIFIC ASSIGNMENTS HAVE ALSO BEEN MADE FOR THE METHYL GROUPS OF VAL 16, LEU 17, VAL 28, LEU 48, VAL 52, LEU 62, AND LEU 84. THIS STUDY AND REFERENCE 1 ABOVE SHOW THAT CYS 38, CYS 42, CYS 69, AND CYS 72 ARE THE LIGANDS FOR A TIGHTLY BOUND ZINC ION. A 2.3 ANGSTROM THIOL - ZINC DISTANCE RESTRAINT WAS IMPOSED ON THE FOUR CYSTEINE METAL LIGANDS. ADDITIONAL DISTANCE AND DIHEDRAL RESTRAINTS WERE APPLIED TO ENFORCE A TETRAHEDRAL METAL LIGATION AND TO MAINTAIN PROPER SP3 HYBRIDIZATION GEOMETRIES OF THE COORDINATED SULFUR ATOMS. A DIHEDRAL ANGLE RESTRAINT MAINTAINS AN S TYPE LIGAND CONFIGURATION. |
NMRアンサンブル | 登録したコンフォーマーの数: 14 |