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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: 1y63 | ||||||
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タイトル | Initial crystal structural analysis of a probable kinase from Leishmania major Friedlin | ||||||
![]() | Lmaj004144AAA protein | ||||||
![]() | Structural Genomics / Unknown Function / Protein Structure Initiative / PSI / SGPP / Structural Genomics of Pathogenic Protozoa Consortium | ||||||
機能・相同性 | ![]() adenylate kinase / adenylate kinase activity / nuclear lumen / rRNA primary transcript binding / cellular response to starvation / maturation of SSU-rRNA / cilium / cytoplasmic stress granule / response to oxidative stress / nucleolus ...adenylate kinase / adenylate kinase activity / nuclear lumen / rRNA primary transcript binding / cellular response to starvation / maturation of SSU-rRNA / cilium / cytoplasmic stress granule / response to oxidative stress / nucleolus / ATP hydrolysis activity / RNA binding / ATP binding / nucleus / metal ion binding / cytoplasm 類似検索 - 分子機能 | ||||||
生物種 | ![]() | ||||||
手法 | ![]() ![]() ![]() | ||||||
![]() | Robien, M.A. / Hol, W.G.J. / Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | ||||||
![]() | ![]() タイトル: Crystal structural analysis of a probable kinase from Leishmania major Friedlin 著者: Robien, M.A. / Hol, W.G.J. / Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | ||||||
履歴 |
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Remark 600 | HETEROGEN MN 353 IS AN INCOMPLETELY OCCUPIED MANGANESE, HOH 1002 IS MODELED TO ACCOUNT FOR RESIDUAL ...HETEROGEN MN 353 IS AN INCOMPLETELY OCCUPIED MANGANESE, HOH 1002 IS MODELED TO ACCOUNT FOR RESIDUAL NON-MANGANESE DENSITY AT THE NEARBY SPECIAL POSITION (TWO FOLD AXIS). NA 501 is intended to be on a special position (TWO FOLD AXIS).- it is about 0.26A away from its symmetry-related mate. | ||||||
Remark 999 | SEQUENCE the sequence is available in GeneDB (www.genedb.org) which is publicly available. The ...SEQUENCE the sequence is available in GeneDB (www.genedb.org) which is publicly available. The GeneDB identifier for this gene is LmjF30.1890. Additionally, residues 1-4 (GPGS-) are a cloning artifact; they are the remains of an N-terminal His tag. The remainder of the His tag was cleaved prior to crystallization. The Leishmanial protein consists of residues 5-184 noted in the SEQRES. |
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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-検証レポート
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-関連構造データ
類似構造データ | |
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その他のデータベース |
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リンク
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集合体
登録構造単位 | ![]()
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単位格子 |
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Components on special symmetry positions |
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要素
-タンパク質 , 1種, 1分子 A
#1: タンパク質 | 分子量: 21257.867 Da / 分子数: 1 / 由来タイプ: 組換発現 由来: (組換発現) ![]() 株: Friedlin / 解説: T7 system / 遺伝子: LmjF30.1890 / プラスミド: pET14B / 発現宿主: ![]() ![]() |
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-非ポリマー , 5種, 173分子 ![](data/chem/img/MN.gif)
![](data/chem/img/BR.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/ADP.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/BR.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/ADP.gif)
![](data/chem/img/HOH.gif)
#2: 化合物 | ChemComp-MN / #3: 化合物 | ChemComp-BR / #4: 化合物 | #5: 化合物 | ChemComp-ADP / | #6: 水 | ChemComp-HOH / | |
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-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: 2.63 Å3/Da / 溶媒含有率: 53 % |
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結晶化 | 温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 6.2 詳細: PEG20000, MES, MnCl2, HEPES, NaCl, Glycerol, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-データ収集
回折 | 平均測定温度: 100 K | ||||||||||||
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放射光源 | 由来: ![]() ![]() ![]() | ||||||||||||
検出器 | タイプ: ADSC QUANTUM 210 / 検出器: CCD / 日付: 2004年8月6日 | ||||||||||||
放射 | モノクロメーター: Double crystal Si(111) / 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 |
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反射 | 解像度: 1.55→38 Å / Num. all: 30440 / Num. obs: 30411 / % possible obs: 99.2 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / 冗長度: 6 % / Biso Wilson estimate: 19.137 Å2 / Rsym value: 0.06 / Net I/σ(I): 14.5 | ||||||||||||
反射 シェル | 解像度: 1.55→1.63 Å / 冗長度: 3.1 % / Mean I/σ(I) obs: 2 / Rsym value: 0.564 / % possible all: 94.8 |
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解析
ソフトウェア |
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精密化 | 構造決定の手法: ![]() 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. TWO LOOPS WHICH ARE PARTIALLY DISORDERED ARE MODELED WITH OCCUPANCY ESTIMATED AT 0.75 THESE INCLUDE RESIDUES 61-63 AND 120-123. SEVERAL ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. TWO LOOPS WHICH ARE PARTIALLY DISORDERED ARE MODELED WITH OCCUPANCY ESTIMATED AT 0.75 THESE INCLUDE RESIDUES 61-63 AND 120-123. SEVERAL DISORDERED SIDECHAIN ATOMS ARE MODELED WITH OCCUPANCY SET TO 0.10. PARTIALLY ORDERED SIDECHAIN ATOMS HAVE BEEN MODELED WITH OCCUPANCIES SET TO ONE-HALF OF THE CORRESPONDING MAIN CHAIN ATOMS. THE FINAL OCCUPANCIES OF THE PARTIALLY OCCUPIED HEAVY ATOMS WERE OBTAINED USING SHARP, AND ROUNDED TO THE NEAREST 0.05. THE CLOSE CONTACT BETWEEN RESIDUES GLU54 AND ILE63 IS BETWEEN SEVERELY DISORDERED SIDECHAINS IN A MINIMALLY ORDERED LOOP, AS NOTED above. THE OCCUPANCIES OF THESE SIDECHAINS HAS BEEN LOWERED TO REFLECT THE WEAK ELECTRON DENSITY IN THIS AREA OF THE MAPS.
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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: 1.2 Å / 溶媒モデル: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso mean: 21.038 Å2
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精密化ステップ | サイクル: LAST / 解像度: 1.7→38 Å
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拘束条件 |
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LS精密化 シェル | 解像度: 1.7→1.792 Å / Total num. of bins used: 10
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精密化 TLS | 手法: refined / Origin x: 27.726 Å / Origin y: 6.062 Å / Origin z: 17.465 Å
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