- PDB-2y3p: Crystal structure of N-terminal domain of GyrA with the antibioti... -
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基本情報
登録情報
データベース: PDB / ID: 2y3p
タイトル
Crystal structure of N-terminal domain of GyrA with the antibiotic simocyclinone D8
要素
DNA GYRASE SUBUNIT A
キーワード
ISOMERASE / AMINOCOUMARIN ANTIBIOTIC
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 (ATP-hydrolysing) / DNA topological change / DNA-templated DNA replication / chromosome / response to antibiotic / DNA binding / ATP binding / cytoplasm 類似検索 - 分子機能
Topoisomerase II; domain 5 / Topoisomerase II, domain 5 / Topoisomerase, domain 3 / Topoisomerase; domain 3 / Gyrase A; domain 2 - #40 / 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. ...Topoisomerase II; domain 5 / Topoisomerase II, domain 5 / Topoisomerase, domain 3 / Topoisomerase; domain 3 / Gyrase A; domain 2 - #40 / 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 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 topoisomerase, type IIA-like domain superfamily / Gyrase A; domain 2 / Alpha-Beta Complex / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta 類似検索 - ドメイン・相同性
SIMOCYCLINONE D8 / DNA gyrase subunit A 類似検索 - 構成要素
#1: ジャーナル: Acta Crystallogr.,Sect.F / 年: 2009 タイトル: Crystallization and Preliminary X-Ray Analysis of a Complex Formed between the Antibiotic Simocyclinone D8 and the DNA Breakage-Reunion Domain of Escherichia Coli DNA Gyrase. 著者: Edwards, M.J. / Flatman, R.H. / Mitchenall, L.A. / Stevenson, C.E.M. / Maxwell, A. / Lawson, D.M.
解像度: 2.62→27.47 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.917 / SU B: 21.13 / SU ML: 0.197 / 交差検証法: THROUGHOUT / ESU R: 0.309 / ESU R Free: 0.243 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE SIMOCYCLINONE D8 EFFECTIVELY CROSSLINKS A PAIR OF GYRA59 DIMERS ACROSS A CRYSTALLOGRAPHIC 2-FOLD AXIS. THE RESULTANT COMPLEX CONTAINS 4 ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE SIMOCYCLINONE D8 EFFECTIVELY CROSSLINKS A PAIR OF GYRA59 DIMERS ACROSS A CRYSTALLOGRAPHIC 2-FOLD AXIS. THE RESULTANT COMPLEX CONTAINS 4 MOLECULES OF SIMOCYCLINONE D8, WITH EACH LIGAND MAKING CONTACT WITH SUBUNITS FROM OPPOSING DIMERS SUCH THAT EACH GYRA59 SUBUNIT BINDS THE POLYKETIDE AND THE AMINOCOUMARIN MOIETIES, RESPECTIVELY, OF TWO SEPARATE SIMOCYCLINON D8 MOLECULES. THE TETRAMER IS ALSO OBSERVED IN SOLUTION AT HIGH LIGAND TO PROTEIN RATIOS.
Rfactor
反射数
%反射
Selection details
Rfree
0.24118
2967
5 %
RANDOM
Rwork
0.20203
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obs
0.20399
55953
99.73 %
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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: MASK