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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: 1rt7 | ||||||
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タイトル | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC84 | ||||||
![]() | (HIV-1 REVERSE TRANSCRIPTASE) x 2 | ||||||
![]() | NUCLEOTIDYLTRANSFERASE / HIV-1 REVERSE TRANSCRIPTASE / AIDS / NUCLEOSIDE INHIBITION / DRUG DESIGN | ||||||
機能・相同性 | ![]() integrase activity / Integration of viral DNA into host genomic DNA / Autointegration results in viral DNA circles / Minus-strand DNA synthesis / Plus-strand DNA synthesis / 2-LTR circle formation / Uncoating of the HIV Virion / Vpr-mediated nuclear import of PICs / Early Phase of HIV Life Cycle / Integration of provirus ...integrase activity / Integration of viral DNA into host genomic DNA / Autointegration results in viral DNA circles / Minus-strand DNA synthesis / Plus-strand DNA synthesis / 2-LTR circle formation / Uncoating of the HIV Virion / Vpr-mediated nuclear import of PICs / Early Phase of HIV Life Cycle / Integration of provirus / APOBEC3G mediated resistance to HIV-1 infection / Binding and entry of HIV virion / viral life cycle / Assembly Of The HIV Virion / HIV-1 retropepsin / retroviral ribonuclease H / exoribonuclease H / Budding and maturation of HIV virion / exoribonuclease H activity / protein processing / host multivesicular body / viral genome integration into host DNA / RNA-directed DNA polymerase / establishment of integrated proviral latency / viral penetration into host nucleus / RNA stem-loop binding / RNA-directed DNA polymerase activity / host cell / RNA-DNA hybrid ribonuclease activity / 転移酵素; リンを含む基を移すもの; 核酸を移すもの / peptidase activity / symbiont-mediated suppression of host gene expression / viral nucleocapsid / DNA recombination / DNA-directed DNA polymerase / 加水分解酵素; エステル加水分解酵素 / aspartic-type endopeptidase activity / DNA-directed DNA polymerase activity / symbiont entry into host cell / lipid binding / host cell nucleus / host cell plasma membrane / virion membrane / structural molecule activity / DNA binding / zinc ion binding / identical protein binding / membrane 類似検索 - 分子機能 | ||||||
生物種 | ![]() | ||||||
手法 | ![]() ![]() ![]() | ||||||
![]() | Ren, J. / Stammers, D.K. / Stuart, D.I. | ||||||
![]() | ![]() タイトル: Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. 著者: Ren, J. / Esnouf, R.M. / Hopkins, A.L. / Warren, J. / Balzarini, J. / Stuart, D.I. / Stammers, D.K. #1: ![]() タイトル: Continuous and Discontinuous Changes in the Unit Cell of HIV-1 Reverse Transcriptase Crystals on Dehydration 著者: Esnouf, R.M. / Ren, J. / Garman, E.F. / Somers, D.O. / Ross, C.K. / Jones, E.Y. / Stammers, D.K. / Stuart, D.I. #2: ![]() タイトル: 3'-Azido-3'-Deoxythymidine Drug Resistance Mutations in HIV-1 Reverse Transcriptase Can Induce Long Range Conformational Changes 著者: Ren, J. / Esnouf, R.M. / Hopkins, A.L. / Jones, E.Y. / Kirby, I. / Keeling, J. / Ross, C.K. / Larder, B.A. / Stuart, D.I. / Stammers, D.K. #3: ![]() タイトル: Unique Features in the Structure of the Complex between HIV-1 Reverse Transcriptase and the Bis(Heteroaryl)Piperazine (Bhap) U-90152 Explain Resistance Mutations for This Nonnucleoside Inhibitor 著者: Esnouf, R.M. / Ren, J. / Hopkins, A.L. / Ross, C.K. / Jones, E.Y. / Stammers, D.K. / Stuart, D.I. #4: ![]() タイトル: Complexes of HIV-1 Reverse Transcriptase with Inhibitors of the HEPT Series Reveal Conformational Changes Relevant to the Design of Potent Non-Nucleoside Inhibitors 著者: Hopkins, A.L. / Ren, J. / Esnouf, R.M. / Willcox, B.E. / Jones, E.Y. / Ross, C. / Miyasaka, T. / Walker, R.T. / Tanaka, H. / Stammers, D.K. / Stuart, D.I. #5: ![]() タイトル: The Structure of HIV-1 Reverse Transcriptase Complexed with 9-Chloro-TIBO: Lessons for Inhibitor Design 著者: Ren, J. / Esnouf, R. / Hopkins, A. / Ross, C. / Jones, Y. / Stammers, D. / Stuart, D. #6: ![]() タイトル: High Resolution Structures of HIV-1 RT from Four RT-Inhibitor Complexes 著者: Ren, J. / Esnouf, R. / Garman, E. / Somers, D. / Ross, C. / Kirby, I. / Keeling, J. / Darby, G. / Jones, Y. / Stuart, D. / Stammers, D. #7: ![]() タイトル: Mechanism of Inhibition of HIV-1 Reverse Transcriptase by Non-Nucleoside Inhibitors 著者: Esnouf, R. / Ren, J. / Ross, C. / Jones, Y. / Stammers, D. / Stuart, D. #8: ![]() タイトル: Crystals of HIV-1 Reverse Transcriptase Diffracting to 2.2 A Resolution 著者: Stammers, D.K. / Somers, D.O. / Ross, C.K. / Kirby, I. / Ray, P.H. / Wilson, J.E. / Norman, M. / Ren, J.S. / Esnouf, R.M. / Garman, E.F. / Jones, E.Y. / Stuart, D.I. | ||||||
履歴 |
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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 | ![]() | 201.8 KB | 表示 | ![]() |
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PDB形式 | ![]() | 164.4 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 | ![]() | 802.5 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 836.2 KB | 表示 | |
XML形式データ | ![]() | 38.4 KB | 表示 | |
CIF形式データ | ![]() | 51.3 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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単位格子 |
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要素
#1: タンパク質 | 分子量: 64594.949 Da / 分子数: 1 / 由来タイプ: 組換発現 由来: (組換発現) ![]() 属: Lentivirus / 生物種: Human immunodeficiency virus 1 / 株: HXB2 ISOLATE / 遺伝子: POL / 発現宿主: ![]() ![]() |
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#2: タンパク質 | 分子量: 51399.047 Da / 分子数: 1 / 由来タイプ: 組換発現 由来: (組換発現) ![]() 属: Lentivirus / 生物種: Human immunodeficiency virus 1 / 株: HXB2 ISOLATE / 遺伝子: POL / 発現宿主: ![]() ![]() |
#3: 化合物 | ChemComp-PO4 / |
#4: 化合物 | ChemComp-UC4 / |
#5: 水 | ChemComp-HOH / |
-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: 2.34 Å3/Da / 溶媒含有率: 47 % / 解説: ALL DATA INCLUDED APART FROM OUTLIERS | ||||||||||||||||||||
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結晶化 | pH: 5 / 詳細: pH 5.0 | ||||||||||||||||||||
結晶 | *PLUS | ||||||||||||||||||||
結晶化 | *PLUS 温度: 4 ℃ / 手法: unknown | ||||||||||||||||||||
溶液の組成 | *PLUS
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-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: MARRESEARCH / 検出器: IMAGE PLATE / 日付: 1997年9月1日 |
放射 | モノクロメーター: 0.2MM / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray |
放射波長 | 波長: 0.87 Å / 相対比: 1 |
反射 | 解像度: 3→30 Å / Num. obs: 19595 / % possible obs: 87.3 % / 冗長度: 2.74 % / Rmerge(I) obs: 0.103 / Net I/σ(I): 8.6 |
反射 シェル | 解像度: 3→3.11 Å / 冗長度: 1.96 % / Rmerge(I) obs: 0.451 / Mean I/σ(I) obs: 1.73 / % possible all: 71.3 |
反射 | *PLUS Num. measured all: 53675 |
反射 シェル | *PLUS % possible obs: 70.8 % / Num. unique obs: 1453 |
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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: ![]() 開始モデル: RT-MKC-442 COMPLEX (PDB ENTRY 1RT1) 解像度: 3→30 Å / Data cutoff low absF: 0 詳細: DUE TO THE LOW RATIO BETWEEN THE NUMBER OF REFLECTIONS AND THE NUMBER OF PARAMETERS TO BE REFINED, ATOMS DISTANT FROM THE NNI-BINDING SITE (DEFINED AS ATOMS MORE THAN 25 ANGSTROM FROM THE CA ...詳細: DUE TO THE LOW RATIO BETWEEN THE NUMBER OF REFLECTIONS AND THE NUMBER OF PARAMETERS TO BE REFINED, ATOMS DISTANT FROM THE NNI-BINDING SITE (DEFINED AS ATOMS MORE THAN 25 ANGSTROM FROM THE CA ATOM OF TYR188) WERE TIGHTLY RESTRAINED TO THEIR POSITION IN THE NINE-DOMAIN RIGID-BODY REFINED MODEL OF RT-MKC-442 COMPLEX, AND STRONG STEREOCHEMICAL RESTRAINTS WERE EMPLOYED IN THE REFINEMENT. THE ABOVE THERMAL FACTOR AND RMS DEVIATIONS OF THE STEREOCHEMISTRY ARE TAKEN FROM THE FINAL MODEL WHICH WAS REFINED USING THE WHOLE DATA SET. THE FINAL R FACTOR FOR THE WHOLE DATA SET IS 0.252.
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原子変位パラメータ | Biso mean: 54 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 解像度: 3→30 Å
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拘束条件 |
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LS精密化 シェル | 解像度: 3→3.14 Å / Total num. of bins used: 8 /
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Xplor file |
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ソフトウェア | *PLUS 名称: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化 | *PLUS Rfactor obs: 0.252 / Rfactor Rfree: 0.334 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶媒の処理 | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
拘束条件 | *PLUS
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