- PDB-9foy: Ternary complex of a Mycobacterium tuberculosis DNA gyrase core f... -
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基本情報
登録情報
データベース: PDB / ID: 9foy
タイトル
Ternary complex of a Mycobacterium tuberculosis DNA gyrase core fusion with DNA and the inhibitor AMK32b
要素
DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G)-3')
DNA (5'-D(P*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3')
DNA gyrase subunit B,DNA gyrase subunit A
キーワード
ISOMERASE / TYPE IIA TOPOISOMERASE / ANTIBACTERIAL / INHIBITOR / FUSION PROTEIN
機能・相同性
機能・相同性情報
DNA negative supercoiling activity / DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) complex / DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity / DNA topoisomerase (ATP-hydrolysing) / DNA topological change / peptidoglycan-based cell wall / DNA-templated DNA replication / chromosome / response to antibiotic / magnesium ion binding ...DNA negative supercoiling activity / DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) complex / DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity / DNA topoisomerase (ATP-hydrolysing) / DNA topological change / peptidoglycan-based cell wall / DNA-templated DNA replication / chromosome / response to antibiotic / magnesium ion binding / ATP hydrolysis activity / DNA binding / ATP binding / plasma membrane / cytoplasm 類似検索 - 分子機能
: / DNA gyrase, subunit A / DNA gyrase/topoisomerase IV, subunit A, C-terminal repeat / DNA gyrase/topoisomerase IV, subunit A, C-terminal / DNA gyrase C-terminal domain, beta-propeller / Topoisomerase (Topo) IIA-type catalytic domain profile. / DNA gyrase subunit B, TOPRIM domain / DNA gyrase, subunit B / DNA topoisomerase, type IIA, subunit B / DNA topoisomerase, type IIA, alpha-helical domain superfamily ...: / DNA gyrase, subunit A / DNA gyrase/topoisomerase IV, subunit A, C-terminal repeat / DNA gyrase/topoisomerase IV, subunit A, C-terminal / DNA gyrase C-terminal domain, beta-propeller / Topoisomerase (Topo) IIA-type catalytic domain profile. / DNA gyrase subunit B, TOPRIM domain / DNA gyrase, subunit B / DNA topoisomerase, type IIA, subunit B / DNA topoisomerase, type IIA, alpha-helical domain superfamily / DNA topoisomerase, type IIA, domain A / DNA topoisomerase, type IIA, domain A, alpha-beta / DNA gyrase/topoisomerase IV, subunit A / DNA Topoisomerase IV / DNA gyrase B subunit, C-terminal / DNA gyrase B subunit, carboxyl terminus / DNA topoisomerase, type IIA, subunit B, domain 2 / DNA gyrase B / DNA topoisomerase, type IIA / DNA topoisomerase, type IIA, conserved site / DNA topoisomerase II signature. / TopoisomeraseII / DNA topoisomerase, type IIA, subunit B, C-terminal / Toprim domain / DNA topoisomerase, type IIA-like domain superfamily / Toprim domain profile. / TOPRIM domain / Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase / Histidine kinase-like ATPases / Histidine kinase/HSP90-like ATPase / Histidine kinase/HSP90-like ATPase superfamily / EF-hand calcium-binding domain. / Ribosomal protein S5 domain 2-type fold, subgroup / Ribosomal protein S5 domain 2-type fold 類似検索 - ドメイン・相同性
: / : / DNA / DNA (> 10) / DNA gyrase subunit B / DNA gyrase subunit A 類似検索 - 構成要素
#241 - 2020年1月 20年の分子を振り返って (Twenty Years of Molecules) 類似性 (1)
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集合体
登録構造単位
A: DNA gyrase subunit B,DNA gyrase subunit A B: DNA gyrase subunit B,DNA gyrase subunit A E: DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G)-3') F: DNA (5'-D(P*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') G: DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G)-3') H: DNA (5'-D(P*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') ヘテロ分子
DNAgyrasesubunitB,DNAgyrasesubunitA / Type IIA topoisomerase subunit GyrA
分子量: 84383.867 Da / 分子数: 2 / 由来タイプ: 組換発現 詳細: Fusion of C-terminal domain of GyrB (residues 426-675; UniProtKB entry P9WG45) to the N-terminal domain of GyrA (residues 2-500; UniProtKB entry P9WG47). In the coordinate file the fusion is ...詳細: Fusion of C-terminal domain of GyrB (residues 426-675; UniProtKB entry P9WG45) to the N-terminal domain of GyrA (residues 2-500; UniProtKB entry P9WG47). In the coordinate file the fusion is treated as a single polypeptide chain. For the GyrB component, the numbering is relative to the full-length wild-type sequence, and for the GyrA component, the sequence numbering is advanced by 1000. Short non-native sequences SNA and IGSG are appended to the N- and C-termini of the fusion, respectively. There are two fusion polypeptides in the asymmetric unit corresponding to the biologically relevant assembly. 由来: (組換発現) Mycobacterium tuberculosis H37Rv (結核菌) 遺伝子: gyrB, Rv0005, MTCY10H4.03, gyrA, Rv0006, MTCY10H4.04 プラスミド: PET-28B / 発現宿主: Escherichia coli (大腸菌) / 株 (発現宿主): ROSETTA 2 PLYSS 参照: UniProt: P9WG45, UniProt: P9WG47, DNA topoisomerase (ATP-hydrolysing)
構造決定の手法: 分子置換 / 解像度: 2.8→69.23 Å / Cor.coef. Fo:Fc: 0.846 / Cor.coef. Fo:Fc free: 0.816 / SU B: 30.465 / SU ML: 0.544 / 交差検証法: THROUGHOUT / ESU R Free: 0.441 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.30408
2542
5.1 %
RANDOM
Rwork
0.27933
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obs
0.28059
47469
99.99 %
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溶媒の処理
イオンプローブ半径: 1 Å / 減衰半径: 1 Å / VDWプローブ半径: 1.3 Å / 溶媒モデル: MASK