- PDB-2wpb: Crystal structure of the E192N mutant of E. Coli N-acetylneuramin... -
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基本情報
登録情報
データベース: PDB / ID: 2wpb
タイトル
Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate and the inhibitor (2R,3R)-2,3,4- trihydroxy-N,N-dipropylbutanamide in space group P21 crystal form I
要素
N-ACETYLNEURAMINATE LYASE
キーワード
LYASE / SUBSTRATE SPECIFICITY / CARBOHYDRATE METABOLISM / PROTEIN ENGINEERING / ALDOLASE / SCHIFF BASE
機能・相同性
機能・相同性情報
N-acetylneuraminate lyase / N-acetylneuraminate lyase activity / N-acetylneuraminate catabolic process / single-species biofilm formation / carbohydrate metabolic process / identical protein binding / cytosol 類似検索 - 分子機能
N-acetylneuraminate lyase / Schiff base-forming aldolase, conserved site / Dihydrodipicolinate synthase signature 1. / Schiff base-forming aldolase, active site / Dihydrodipicolinate synthase signature 2. / DapA-like / Dihydrodipicolinate synthetase family / Dihydrodipicolinate synthetase family / Aldolase class I / Aldolase-type TIM barrel ...N-acetylneuraminate lyase / Schiff base-forming aldolase, conserved site / Dihydrodipicolinate synthase signature 1. / Schiff base-forming aldolase, active site / Dihydrodipicolinate synthase signature 2. / DapA-like / Dihydrodipicolinate synthetase family / Dihydrodipicolinate synthetase family / Aldolase class I / Aldolase-type TIM barrel / TIM Barrel / Alpha-Beta Barrel / Alpha Beta 類似検索 - ドメイン・相同性
ENGINEERED RESIDUE IN CHAIN A, GLU 192 TO ASN ENGINEERED RESIDUE IN CHAIN B, GLU 192 TO ASN ...ENGINEERED RESIDUE IN CHAIN A, GLU 192 TO ASN ENGINEERED RESIDUE IN CHAIN B, GLU 192 TO ASN ENGINEERED RESIDUE IN CHAIN C, GLU 192 TO ASN ENGINEERED RESIDUE IN CHAIN D, GLU 192 TO ASN
解像度: 2.05→71.88 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.931 / SU B: 4.827 / SU ML: 0.122 / 交差検証法: THROUGHOUT / ESU R: 0.045 / ESU R Free: 0.038 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.23394
3966
5 %
RANDOM
Rwork
0.18951
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obs
0.19176
74586
97.68 %
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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: 1.4 Å / 溶媒モデル: MASK