- PDB-5w4l: Crystal structure of the non-neutralizing and ADCC-potent C11-lik... -
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基本情報
登録情報
データベース: PDB / ID: 5w4l
タイトル
Crystal structure of the non-neutralizing and ADCC-potent C11-like antibody N12-i3 in complex with HIV-1 clade A/E gp120, the CD4 mimetic M48U1, and the antibody N5-i5.
要素
(Antibody N12-i3 ...) x 2
(Antibody N5-i5 ...) x 2
CD4 mimetic peptide M48U1
clade A/E 93TH057 HIV-1 gp120 core
キーワード
VIRAL PROTEIN/IMMUNE SYSTEM / HIV-1 gp120 / Clade A/E 93TH057 / Viral protein / Viral protein-immune system complex
THE CD4-MIMETIC MINIPROTEINS INHIBIT HIV-1 ENTRY AND ARE DERIVED FROM SCYLLATOXIN (A SCORPION TOXIN) ...THE CD4-MIMETIC MINIPROTEINS INHIBIT HIV-1 ENTRY AND ARE DERIVED FROM SCYLLATOXIN (A SCORPION TOXIN) BY TRANSPLANTING THE GP120-INTERACTIVE REGION OF CD4 ONTO THE SCYLLATOXIN SCAFFOLD, FOLLOWED BY MANY ROUNDS OF ITERATIVE OPTIMIZATION
配列の詳細
Author states that the reference sequence from the database represents a truncated version of the ...Author states that the reference sequence from the database represents a truncated version of the full length HIV Env sequence. Numbering of the gp120 is based on the Hxbc2 Env. Chains G and A both have a histidine to serine mutation at position 375 in the structure. Residues 31-43 and 493-511 are the full length N and C-termini of the sequence referenced in the database.
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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: 2.57 Å3/Da / 溶媒含有率: 52.14 %
結晶化
温度: 294 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8 / 詳細: 15% PEG 2000 MME 0.1 M Tris-HCl pH 8.0 0.1 M KCl
解像度: 2.92→50 Å / Cor.coef. Fo:Fc: 0.911 / Cor.coef. Fo:Fc free: 0.854 / SU B: 70.063 / SU ML: 0.574 / 交差検証法: THROUGHOUT / ESU R Free: 0.496 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.29191
3079
5 %
RANDOM
Rwork
0.23132
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obs
0.23426
59072
98.51 %
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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: MASK