CONVERGED DATASETS OF 100 STRUCTURES EACH (1-25 AND 26-48)
代表モデル
モデル #1
-
要素
#1: タンパク質
COMPLEMENTCOMPONENTC7
分子量: 16977.494 Da / 分子数: 1 / 断片: FACTOR I-LIKE MODULES (FIMS), RESIDUES 693-843 / 由来タイプ: 組換発現 / 詳細: N TERMINAL CLONING ARTEFACT GSHM / 由来: (組換発現) HOMO SAPIENS (ヒト) / 組織: BLOOD血液 / 解説: COMPONENT OF HUMAN COMPLEMENT SYSTEM / 細胞内の位置: EXTRACELLULARGlossary of biology / 発現宿主: ESCHERICHIA COLI (大腸菌) / 株 (発現宿主): ORIGAMI B / 参照: UniProt: P10643
配列の詳細
N TERMINAL CLONING ARTEFACT GSHM
-
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
3D 13C EDITED NOESY
1
2
1
3D 15N EDITED NOESY
1
3
1
3D 13C EDITED NOESY IN 100% D2O
NMR実験の詳細
Text: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED C7-FIMS. FURTHER ACQUISITION DETAILS AVAILABLE AT BIOMAGRESBANK ACCESSION NO. 15996.
-
試料調製
詳細
内容: 90% H2O, 10% D2O
試料状態
イオン強度: 20MM K PHOSPHATE / pH: 6.5 / 温度: 298.0 K
-
NMR測定
NMRスペクトロメーター
タイプ: Bruker AVANCE / 製造業者: Bruker / モデル: AVANCE / 磁場強度: 800 MHz
手法: SIMULATED ANNEAILING, RESTRAINED MOLECULAR DYNAMICS / ソフトェア番号: 1 詳細: REFINEMENT DETAILS CAN BE FOUND IN THE PRIMARY CITATION. THE PROTEIN HAS BEEN SHOWN BY MASS SPECTROMETRY TO CONTAIN NINE DISULPHIDE BONDS FORMED FROM THE EIGHTEEN CYSTEINES PRESENT. THE NMR ...詳細: REFINEMENT DETAILS CAN BE FOUND IN THE PRIMARY CITATION. THE PROTEIN HAS BEEN SHOWN BY MASS SPECTROMETRY TO CONTAIN NINE DISULPHIDE BONDS FORMED FROM THE EIGHTEEN CYSTEINES PRESENT. THE NMR DATA CLEARLY IDENTIFIES THE DISULPHIDE BOND PATTERN OF SEVEN OF THESE NINE DISULPHIDE BONDS HOWEVER, DUE TO THE PROXIMITY OF THE REMAINING FOUR CYSTEINES TO THE FLEXIBLE REGION, THE COMPLETE DISULPHIDE BINDING PATTERN CANNOT BE UNAMBIGUOUSLY DETERMINED. HOMOLOGY EVIDENCE STRONGLY FAVOURS ONE LINKAGE PATTERN OVER THE OTHER TWO POSSIBILITIES AND THIS IS CLEARLY STATED IN THE ASSOCIATED PUBLICATION; THIS LINKAGE PATTERN WAS USED TO GENERATE NMR MODELS 1-25 IN THE ENSEMBLE. MODELS 26-48 WERE CALCULATED BY ALLOWING FOR ANY COMBINATION OF LINKAGES FOR THE TWO AMBIGUOUS DISULPHIDE BONDS AND, DUE TO THE INHERENT FLEXIBILITY IN THIS REGION, A MIXTURE OF ALL OF THE THREE POSSIBLE LINKAGES WAS GENERATED.
NMRアンサンブル
コンフォーマー選択の基準: CONVERGED DATASETS OF 100 STRUCTURES EACH (1-25 AND 26-48) 計算したコンフォーマーの数: 200 / 登録したコンフォーマーの数: 48