タイプ: Oligopeptide / クラス: 抗生剤 / 分子量: 2243.031 Da / 分子数: 1 / 由来タイプ: 天然 詳細: NAI-107 IS A TETRACYCLIC PEPTIDE. POST TRANSLATIONAL MATURATION OF LANTIBIOTICS INVOLVES THE ENZYMIC CONVERSION OF THR, AND SER INTO DEHYDRATED AA AND THE FORMATION OF THIOETHER BONDS WITH ...詳細: NAI-107 IS A TETRACYCLIC PEPTIDE. POST TRANSLATIONAL MATURATION OF LANTIBIOTICS INVOLVES THE ENZYMIC CONVERSION OF THR, AND SER INTO DEHYDRATED AA AND THE FORMATION OF THIOETHER BONDS WITH CYSTEINE. THE CARBOXY-TERMINAL BETA-METHYLLANTHIONINE UNDERGOES DECARBOXYLATION. THIOETHER BONDS WITH CYSTEINE RESULT IN FOUR RINGS. THIS IS FOLLOWED BY MEMBRANE TRANSLOCATION AND CLEAVAGE OF THE MODIFIED PRECURSOR. 由来: (天然) Microbispora (バクテリア) / 株: 107891 / 参照: UniProt: P85065, Lantibiotic 107891
NAI-107 (LANTIBIOTIC 107891) IS A GLOBULAR TYPE B LANTIBIOTIC. THE LANTIBIOTICS ARE CHARACTERIZED ...NAI-107 (LANTIBIOTIC 107891) IS A GLOBULAR TYPE B LANTIBIOTIC. THE LANTIBIOTICS ARE CHARACTERIZED BY THIOETHER AMINO ACIDS LANTHIONINE AND/OR METHYLLANTHIONINE. HERE, NAI-107 IS REPRESENTED BY THE SEQUENCE (SEQRES)
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実験情報
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実験
実験
手法: 溶液NMR
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
2D 1H-1H TOCSY
1
2
1
2D 1H-1H NOESY
1
3
1
2D 1H-13C HSQC aliphatic
1
4
1
2D 1H-13C HSQC aromatic
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試料調製
詳細
内容: 3.5 mM entity_1, 150 mM [U-2H] dodecylphosphocholine-d38, 10 mM potassium phosphate, 0.02 mM 2,2,3,3-D TSP-d4, 95% H2O/5% D2O 溶媒系: 95% H2O/5% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
3.5mM
entity_1-1
1
150mM
dodecylphosphocholine-d38-2
[U-2H]
1
10mM
potassium phosphate-3
1
0.02mM
TSP-d4-4
2,2,3,3-D
1
試料状態
pH: 6.2 / 圧: ambient / 温度: 310.1 K
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NMR測定
NMRスペクトロメーター
タイプ
製造業者
モデル
磁場強度 (MHz)
Spectrometer-ID
Bruker AVIII
Bruker
AVIII
600
1
Bruker Avance
Bruker
AVANCE
900
2
Bruker DRX
Bruker
DRX
600
3
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解析
NMR software
名称
バージョン
開発者
分類
TopSpin
3.1
BrukerBiospin
collection
CARA
KellerandWuthrich
chemicalshiftassignment
CYANA
3
Guntert, MumenthalerandWuthrich
構造決定
YASARA
YasaraBiosciences
精密化
精密化
手法: molecular dynamics / ソフトェア番号: 1 詳細: Refinement was done in two steps: first in vacuo and then with explicit micelle/water system. The pseudo atoms labeled ANI are included in the constraint file. These define an alignment frame ...詳細: Refinement was done in two steps: first in vacuo and then with explicit micelle/water system. The pseudo atoms labeled ANI are included in the constraint file. These define an alignment frame used in the structural interpretation of rdc data.
代表構造
選択基準: fewest violations
NMRアンサンブル
コンフォーマー選択の基準: structures with the least restraint violations 計算したコンフォーマーの数: 80 / 登録したコンフォーマーの数: 20