MINIMIZED DG STRUCTURE, CLOSEST TO AVERAGE STRUCTURE
代表モデル
モデル #1
-
要素
#1: タンパク質・ペプチド
CHRYSOSPERMINC
タイプ: Peptaibol / クラス: 抗生剤 / 分子量: 1896.238 Da / 分子数: 1 / 由来タイプ: 天然 詳細: CHRYSOSPERMIN C IS A NONADECAMERIC HELICAL PEPTIDE. THE N-TERM IS ACETYLATED (RESIDUE 0) 由来: (天然) HYPOMYCES CHRYSOSPERMUS (菌類) / 参照: NOR: NOR00981, Chrysospermin-C
構成要素の詳細
CHRYSOSPERMIN C IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL FAMILY OF MEMBRANE CHANNEL FORMING ...CHRYSOSPERMIN C IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES. HERE, CHRYSOSPERMIN C IS REPRESENTED BY THE SEQUENCE (SEQRES)
-
実験情報
-
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 NOESY
1
2
1
DQF-COSY
1
3
1
TOCSY
1
4
1
HET-TOCSY
1
5
1
HMBC
1
6
1
H(N)CO
-
試料調製
詳細
Solution-ID
内容
1
6.0 MM NA-CHRYSOSPERMIN C IN DPC-MICELLES 1:50, 4.3 MM SEL. 13C/15N-LAB. CHRYSOSPERMIN C IN DPC-MISCELLES 1:50
2
4.3 MM [[15N',13C']-AIB9,AIB10,AIB13
3
[13CB]-AIB15,AIB16,AIB17]-CHRYSOSPERMIN C IN DPC-MICELLES 1:50
手法: HYBRID DISTANCE GEOMETRY, SIMULATED ANNEALING / ソフトェア番号: 1 詳細: THE STRUCTURES ARE BASED ON A TOTAL OF 379 RESTRAINTS, 338 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 40 DIHEDRAL ANGLE RESTRAINTS, 1 DISTANCE CONSTRAINT FOR A HYDROGEN BOND
NMRアンサンブル
コンフォーマー選択の基準: MINIMIZED DG STRUCTURE, CLOSEST TO AVERAGE STRUCTURE 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 1