- PDB-4wed: Crystal structure of ABC transporter substrate-binding protein fr... -
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基本情報
登録情報
データベース: PDB / ID: 4wed
タイトル
Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
要素
ABC transporter, periplasmic solute-binding protein
キーワード
TRANSPORT PROTEIN / ABC transporter substrate-binding protein / Sinorhizobium meliloti / Structural Genomics / NYSGRC / PSI-Biology / New York Structural Genomics Research Consortium
機能・相同性
機能・相同性情報
nickel cation transport / nickel cation binding / ATP-binding cassette (ABC) transporter complex / transmembrane transport / periplasmic space / heme binding 類似検索 - 分子機能
Nickel ABC transporter, substrate-binding protein NikA / Solute-binding protein family 5, conserved site / Bacterial extracellular solute-binding proteins, family 5 signature. / Dipeptide-binding Protein; domain 3 / Dipeptide-binding Protein; Domain 3 / Peptide/nickel binding protein, MppA-type / Solute-binding protein family 5 domain / Solute-binding protein family 5 / Bacterial extracellular solute-binding proteins, family 5 Middle / Twin arginine translocation (Tat) signal profile. ...Nickel ABC transporter, substrate-binding protein NikA / Solute-binding protein family 5, conserved site / Bacterial extracellular solute-binding proteins, family 5 signature. / Dipeptide-binding Protein; domain 3 / Dipeptide-binding Protein; Domain 3 / Peptide/nickel binding protein, MppA-type / Solute-binding protein family 5 domain / Solute-binding protein family 5 / Bacterial extracellular solute-binding proteins, family 5 Middle / Twin arginine translocation (Tat) signal profile. / Twin-arginine translocation pathway, signal sequence / Periplasmic binding protein-like II / D-Maltodextrin-Binding Protein; domain 2 / Roll / 3-Layer(aba) Sandwich / Alpha Beta 類似検索 - ドメイン・相同性
There was an additional tag present in the crystallization setup, but it was likely cleaved by the ...There was an additional tag present in the crystallization setup, but it was likely cleaved by the chymotrypsin present. The sequence was MHHHHHHSSGVDLGTENLYFQS
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 2.18 Å3/Da / 溶媒含有率: 43.54 %
結晶化
温度: 289 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7.5 詳細: 0.2 ul of 18 mg/ml protein in 20 mM HEPES pH 7.5, 150 mM NaCl, 10% Glycerol, 0.1% Sodium Azide and 0.5 mM TCEP were mixed with 0.2 ul of the MCSG-II condition # 18 (0.2 M Sodium Formate, 20% ...詳細: 0.2 ul of 18 mg/ml protein in 20 mM HEPES pH 7.5, 150 mM NaCl, 10% Glycerol, 0.1% Sodium Azide and 0.5 mM TCEP were mixed with 0.2 ul of the MCSG-II condition # 18 (0.2 M Sodium Formate, 20% (w/v) PEG 3350 ) and equilibrated against 2.0 M NaCl solution in 96 Well 3 drop Crystallization Plate (Swissci). Before crystallization protein was incubated with 1/50 v/v of 2 mg/ml chymotrypsin solution at 289 K for 3 hours.
構造決定の手法: 単波長異常分散 / 解像度: 2.35→49.65 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.952 / WRfactor Rfree: 0.249 / WRfactor Rwork: 0.1741 / FOM work R set: 0.8026 / SU B: 18.319 / SU ML: 0.21 / SU R Cruickshank DPI: 0.383 / SU Rfree: 0.2455 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.383 / ESU R Free: 0.245 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: U VALUES : WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.2294
899
4.6 %
RANDOM
Rwork
0.1641
18838
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obs
0.1667
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97.39 %
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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