2bvq
;Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression ;
SAXS 散射曲线 SAXS Profile
P(r) 距离分布 P(r) Distribution
1. 结构基本信息 1. Structure Basics
| 条目编号 entry_id | 2bvq |
| 沉积日期 deposition_date | 2005-07-01 |
| 结构标题 title | ;Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression ; |
| 关键词 keywords | ;GLYCOPROTEIN/PEPTIDE, MHC, HLA-B57, LTNP HIV-1, GLYCOPROTEIN-PEPTIDE COMPLEX, MHC I, POLYMORPHISM, TRANSMEMBRANE, IMMUNOGLOBULIN DOMAIN, PYRROLIDONE CARBOXYLIC ACID, IMMUNE RESPONSE ;; GLYCOPROTEIN/PEPTIDE |
| 实验方法 method | X-RAY DIFFRACTION |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 24.23 Å |
| 回转半径 Rg (电子) rg_electron | 23.10 Å |
| 零角强度 I(0) i0 | 35122400.00 |
| 分子量 molecular_weight | 44151.0 kDa |
| 排除体积 excluded_volume | 54567 ų |
| 包络体积 envelope_volume | 68002 ų |
| 水化壳体积 shell_volume | 24763 ų |
| 包络直径 envelope_diameter | 79.7 Å |
| 壳层 Rg shell_rg | 29.82 Å |
| 包络 Rg envelope_rg | 23.07 Å |
| 形状 Rg shape_rg | 23.08 Å |
| 总 Rg total_rg | 23.94 Å |
| 总原子数 total_atoms | 3119 |
| 残基数 n_residues | 383 |
| 球谐函数阶数 n_harmonics | 20 |
| q 范围 q_range | — – 0.5000 Å−1 |
| 数据点数 n_points | 101 |
| 壳层类型 shell_type | directional |
| 溶剂电子密度 solvent_density | 0.3340 e/ų |
| 壳层衬度 contrast_shell | 0.0300 e/ų |
| CRYSOL 版本 crysol_version | 4.1.3 |
3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)
| 最大尺寸 Dmax dmax | 79.3 Å |
| Rg (实空间) rg_real | 24.15 Å |
| Rg 误差 (实空间) rg_real_error | 0.55 Å |
| I(0) (实空间) i0_real | 3.5120e+07 |
| I(0) 误差 (实空间) i0_real_error | 4.6100e+05 |
| Rg (倒空间) rg_reciprocal | 24.17 Å |
| I(0) (倒空间) i0_reciprocal | 35120000.0000 |
| 解质量估计 total_estimate | 0.8214 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 3 |
| 主峰位置 r_peak_primary | 29.8 Å |
| 偏度 Skewness skewness | 0.227 |
| 峰度 Kurtosis kurtosis | -0.477 |
| 角度范围 angular_range | — – 0.3300 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 8723000.0000 |
| 实空间数据点数 n_real_points | 65 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.895; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.000 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (4)
6. 折叠分类 (SCOP + CATH) 6 domains
SCOP 2.08 (3 domains)
| 结构域编号 domain_id | d2bvqa1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.1 — Immunoglobulin |
| 家族 Family family | b.1.1.2 — C1 set domains (antibody constant domain-like) |
| 结构域编号 domain_id | d2bvqa2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.19 — MHC antigen-recognition domain |
| 超家族 Superfamily superfamily | d.19.1 — MHC antigen-recognition domain |
| 家族 Family family | d.19.1.1 — MHC antigen-recognition domain |
| 结构域编号 domain_id | d2bvqb_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.1 — Immunoglobulin-like beta-sandwich |
| 超家族 Superfamily superfamily | b.1.1 — Immunoglobulin |
| 家族 Family family | b.1.1.2 — C1 set domains (antibody constant domain-like) |
CATH v4.4 (3 domains)
| 结构域编号 domain_id | 2bvqA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 500 — Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — MHC class I-like antigen recognition-like |
| 结构域编号 domain_id | 2bvqA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 40 — Immunoglobulin-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — Immunoglobulins |
| 结构域编号 domain_id | 2bvqB00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 40 — Immunoglobulin-like |
| 同源超家族 H-superfamily homologous superfamily | 10 — Immunoglobulins |