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データを開く
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基本情報
登録情報 | データベース: PDB / ID: 1bzm | ||||||
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タイトル | DRUG-PROTEIN INTERACTIONS: STRUCTURE OF SULFONAMIDE DRUG COMPLEXED WITH HUMAN CARBONIC ANHYDRASE I | ||||||
![]() | CARBONIC ANHYDRASE I | ||||||
![]() | LYASE(OXO-ACID) / PROTEIN-DRUG INTERACTIONS / OXO-ACID LYASE / SULFONAMIDES | ||||||
機能・相同性 | ![]() hydro-lyase activity / Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation / cyanamide hydratase / cyanamide hydratase activity / arylesterase activity / Reversible hydration of carbon dioxide / carbonic anhydrase / carbonate dehydratase activity / Erythrocytes take up oxygen and release carbon dioxide / Erythrocytes take up carbon dioxide and release oxygen ...hydro-lyase activity / Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation / cyanamide hydratase / cyanamide hydratase activity / arylesterase activity / Reversible hydration of carbon dioxide / carbonic anhydrase / carbonate dehydratase activity / Erythrocytes take up oxygen and release carbon dioxide / Erythrocytes take up carbon dioxide and release oxygen / one-carbon metabolic process / zinc ion binding / extracellular exosome / cytosol 類似検索 - 分子機能 | ||||||
生物種 | ![]() | ||||||
手法 | ![]() | ||||||
![]() | Chakravarty, S. / Kannan, K.K. | ||||||
![]() | ![]() タイトル: Drug-protein interactions. Refined structures of three sulfonamide drug complexes of human carbonic anhydrase I enzyme. 著者: Chakravarty, S. / Kannan, K.K. #1: ![]() タイトル: Drug Protein Interaction at the Molecular Level: A Study of Sulphonamide Carbonic Anhydrase Complexes 著者: Chakravarty, S. / Yadava, V.S. / Kumar, V. / Kannan, K.K. #2: ![]() タイトル: Structure and Function of Carbonic Anhydrase: Comparative Studies of Sulphonamide Binding to Human Erythrocyte Carbonic Anhydrases B and C 著者: Kannan, K.K. / Vaara, I. / Notstrand, B. / Lovgren, S. / Borell, A. / Fridborg, K. / Petef, M. | ||||||
履歴 |
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Remark 700 | SHEET SHEET B1 OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET ...SHEET SHEET B1 OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS *B1A* AND *B1B* ARE DEFINED. STRANDS 5, 6, 7, 8, 9, AND 10 OF B1A ARE IDENTICAL TO STRANDS 2, 3, 4, 5, 6, AND 7 OF B1B, RESPECTIVELY. |
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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ダウンロードとリンク
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ダウンロード
PDBx/mmCIF形式 | ![]() | 69 KB | 表示 | ![]() |
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PDB形式 | ![]() | 51 KB | 表示 | ![]() |
PDBx/mmJSON形式 | ![]() | ツリー表示 | ![]() | |
その他 | ![]() |
-検証レポート
文書・要旨 | ![]() | 435.5 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 447.5 KB | 表示 | |
XML形式データ | ![]() | 16 KB | 表示 | |
CIF形式データ | ![]() | 22.2 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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1 |
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単位格子 |
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Atom site foot note | 1: SER 2 - PRO 3 OMEGA =270.14 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 2: CIS PROLINE - PRO 30 / 3: CIS PROLINE - PRO 202 4: THE SULFONAMIDE DRUG MOLECULE 5-ACETYLAMINO-4-METHYL-1,3, 4-THIADOZOLINEE-2-SULFONAMIDE (METHAZOLAMIDE) HAS BEEN ASSIGNED THE THREE LETTER CODE MZM IN THE COORDINATE FILE. 5: THE DRUG MOLECULE HAS WELL DEFINED ELECTRON DENSITY IN THE ACTIVE SITE OF THE ENZYME. WHEN THE DRUG BINDS TO THE ENZYME, THE LOOP REGION COMPRISING OF RESIDUES LEU 198, THR 199 AND HIS 200 ...5: THE DRUG MOLECULE HAS WELL DEFINED ELECTRON DENSITY IN THE ACTIVE SITE OF THE ENZYME. WHEN THE DRUG BINDS TO THE ENZYME, THE LOOP REGION COMPRISING OF RESIDUES LEU 198, THR 199 AND HIS 200 UNDERGOES A SIGNIFICANT CHANGE AS COMPARED TO THE NATIVE STRUCTURE. 6: ACTIVE SITE HYDROGEN BONDED SOLVENT NETWORK INVOLVING HIS 67 AND HIS 200 IS POSSIBLY IMPORTANT FOR THE CATALYTIC ACTIVITY AND INHIBITION OF THIS ISOENZYME. 7: ZINC ZN(II) IS THE CATALYTICALLY ESSENTIALL ZINC ION. |
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要素
#1: タンパク質 | 分子量: 28774.988 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 / |
#3: 化合物 | ChemComp-MZM / |
#4: 水 | ChemComp-HOH / |
構成要素の詳細 | THE DRUG MOLECULE HAS WELL DEFINED ELECTRON DENSITY IN THE ACTIVE SITE OF THE ENZYME. WHEN THE DRUG ...THE DRUG MOLECULE HAS WELL DEFINED ELECTRON DENSITY IN THE ACTIVE SITE OF THE ENZYME. WHEN THE DRUG BINDS TO THE ENZYME, THE LOOP REGION COMPRISING |
非ポリマーの詳細 | ZINC ZN(II) IS THE CATALYTICA |
-実験情報
-実験
実験 | 手法: ![]() |
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試料調製
結晶 | マシュー密度: 2.02 Å3/Da / 溶媒含有率: 39.14 % |
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結晶化 | *PLUS 手法: unknown |
-データ収集
放射 | 散乱光タイプ: x-ray |
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放射波長 | 相対比: 1 |
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解析
ソフトウェア | 名称: タンパク質 / 分類: 精密化 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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精密化 | 解像度: 2→10 Å 詳細: THE FIRST FOUR N-TERMINAL RESIDUES ALA 1, SER 2, PRO 3 AND ASP 4 AND WATER MOLECULES 340 AND 432 DO NOT HAVE WELL DEFINED ELECTRON DENSITY AND SHOULD BE TREATED WITH CAUTION.
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精密化ステップ | サイクル: LAST / 解像度: 2→10 Å
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拘束条件 |
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精密化 | *PLUS Rfactor obs: 0.186 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶媒の処理 | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | *PLUS |