2fk0

Crystal Structure of a H5N1 influenza virus hemagglutinin.

Method: X-RAY DIFFRACTION Dmax: 216.9 Å Quality: REASONABLE

SAXS 散射曲线 SAXS Profile

SAXS profile for 2fk0

P(r) 距离分布 P(r) Distribution

P(r) distribution for 2fk0
下载 Download

1. 结构基本信息 1. Structure Basics

条目编号 entry_id2fk0
沉积日期 deposition_date2006-01-03
结构标题 titleCrystal Structure of a H5N1 influenza virus hemagglutinin.
关键词 keywordsGLYCOPROTEIN, MEMBRANE-FUSION PRECURSOR, VIRAL PROTEIN; VIRAL PROTEIN
实验方法 methodX-RAY DIFFRACTION

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier71.03
回转半径 Rg (电子) rg_electron71.00
零角强度 I(0) i03935070000.00
分子量 molecular_weight514820.0 kDa
排除体积 excluded_volume637990 ų
包络体积 envelope_volume1034700 ų
水化壳体积 shell_volume129520 ų
包络直径 envelope_diameter274.2
壳层 Rg shell_rg63.69
包络 Rg envelope_rg70.13
形状 Rg shape_rg71.02
总 Rg total_rg70.81
总原子数 total_atoms36202
残基数 n_residues4392
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 −1
数据点数 n_points101
壳层类型 shell_typedirectional
溶剂电子密度 solvent_density0.3340 e/ų
壳层衬度 contrast_shell0.0300 e/ų
CRYSOL 版本 crysol_version4.1.3

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax216.9
Rg (实空间) rg_real69.69
Rg 误差 (实空间) rg_real_error1.44
I(0) (实空间) i0_real3.8950e+09
I(0) 误差 (实空间) i0_real_error7.8710e+07
Rg (倒空间) rg_reciprocal69.61
I(0) (倒空间) i0_reciprocal3922000000.0000
解质量估计 total_estimate0.6211
解质量评级 solution_quality REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks2
主峰位置 r_peak_primary78.9
偏度 Skewness skewness0.500
峰度 Kurtosis kurtosis-0.164
角度范围 angular_range— – 0.1100 −1
当前正则化参数 α current_alpha0.0628
最高正则化参数 α highest_alpha168200000.0000
实空间数据点数 n_real_points23
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.927; Stabil: 0.996; Sysdev: 0.006; Positv: 1.000; Valcen: 0.993; Smooth: 0.238

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) 63 domains

SCOP 2.08 (36 domains)

结构域编号 domain_idd2fk0a1
类 Class classb — All beta proteins
折叠类型 Fold foldb.19 — Viral protein domain
超家族 Superfamily superfamilyb.19.1 — Viral protein domain
家族 Family familyb.19.1.2 — Influenza hemagglutinin headpiece
结构域编号 domain_idd2fk0a2
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0b1
类 Class classh — Coiled coil proteins
折叠类型 Fold foldh.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
家族 Family familyh.3.1.1 — Influenza hemagglutinin (stalk)
结构域编号 domain_idd2fk0b2
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0c2
类 Class classb — All beta proteins
折叠类型 Fold foldb.19 — Viral protein domain
超家族 Superfamily superfamilyb.19.1 — Viral protein domain
家族 Family familyb.19.1.2 — Influenza hemagglutinin headpiece
结构域编号 domain_idd2fk0c3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0d2
类 Class classh — Coiled coil proteins
折叠类型 Fold foldh.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
家族 Family familyh.3.1.1 — Influenza hemagglutinin (stalk)
结构域编号 domain_idd2fk0d3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0e2
类 Class classb — All beta proteins
折叠类型 Fold foldb.19 — Viral protein domain
超家族 Superfamily superfamilyb.19.1 — Viral protein domain
家族 Family familyb.19.1.2 — Influenza hemagglutinin headpiece
结构域编号 domain_idd2fk0e3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0f2
类 Class classh — Coiled coil proteins
折叠类型 Fold foldh.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
家族 Family familyh.3.1.1 — Influenza hemagglutinin (stalk)
结构域编号 domain_idd2fk0f3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0g2
类 Class classb — All beta proteins
折叠类型 Fold foldb.19 — Viral protein domain
超家族 Superfamily superfamilyb.19.1 — Viral protein domain
家族 Family familyb.19.1.2 — Influenza hemagglutinin headpiece
结构域编号 domain_idd2fk0g3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0h2
类 Class classh — Coiled coil proteins
折叠类型 Fold foldh.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
家族 Family familyh.3.1.1 — Influenza hemagglutinin (stalk)
结构域编号 domain_idd2fk0h3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0i2
类 Class classb — All beta proteins
折叠类型 Fold foldb.19 — Viral protein domain
超家族 Superfamily superfamilyb.19.1 — Viral protein domain
家族 Family familyb.19.1.2 — Influenza hemagglutinin headpiece
结构域编号 domain_idd2fk0i3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0j2
类 Class classh — Coiled coil proteins
折叠类型 Fold foldh.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
家族 Family familyh.3.1.1 — Influenza hemagglutinin (stalk)
结构域编号 domain_idd2fk0j3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0k2
类 Class classb — All beta proteins
折叠类型 Fold foldb.19 — Viral protein domain
超家族 Superfamily superfamilyb.19.1 — Viral protein domain
家族 Family familyb.19.1.2 — Influenza hemagglutinin headpiece
结构域编号 domain_idd2fk0k3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0l2
类 Class classh — Coiled coil proteins
折叠类型 Fold foldh.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
家族 Family familyh.3.1.1 — Influenza hemagglutinin (stalk)
结构域编号 domain_idd2fk0l3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0m2
类 Class classb — All beta proteins
折叠类型 Fold foldb.19 — Viral protein domain
超家族 Superfamily superfamilyb.19.1 — Viral protein domain
家族 Family familyb.19.1.2 — Influenza hemagglutinin headpiece
结构域编号 domain_idd2fk0m3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0n2
类 Class classh — Coiled coil proteins
折叠类型 Fold foldh.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
家族 Family familyh.3.1.1 — Influenza hemagglutinin (stalk)
结构域编号 domain_idd2fk0n3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0o2
类 Class classb — All beta proteins
折叠类型 Fold foldb.19 — Viral protein domain
超家族 Superfamily superfamilyb.19.1 — Viral protein domain
家族 Family familyb.19.1.2 — Influenza hemagglutinin headpiece
结构域编号 domain_idd2fk0o3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0p2
类 Class classh — Coiled coil proteins
折叠类型 Fold foldh.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
家族 Family familyh.3.1.1 — Influenza hemagglutinin (stalk)
结构域编号 domain_idd2fk0p3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0q2
类 Class classb — All beta proteins
折叠类型 Fold foldb.19 — Viral protein domain
超家族 Superfamily superfamilyb.19.1 — Viral protein domain
家族 Family familyb.19.1.2 — Influenza hemagglutinin headpiece
结构域编号 domain_idd2fk0q3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags
结构域编号 domain_idd2fk0r2
类 Class classh — Coiled coil proteins
折叠类型 Fold foldh.3 — Stalk segment of viral fusion proteins
超家族 Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
家族 Family familyh.3.1.1 — Influenza hemagglutinin (stalk)
结构域编号 domain_idd2fk0r3
类 Class classl — Artifacts
折叠类型 Fold foldl.1 — Tags
超家族 Superfamily superfamilyl.1.1 — Tags
家族 Family familyl.1.1.1 — Tags

CATH v4.4 (27 domains)

结构域编号 domain_id2fk0A01
类 Class class2 — Mainly Beta
架构 Architecture architecture10 — Ribbon
拓扑 Topology topology77 — Hemagglutinin; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily10 — Hemagglutinin Chain A, Domain 2
结构域编号 domain_id2fk0A02
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
同源超家族 H-superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
结构域编号 domain_id2fk0B00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily10
结构域编号 domain_id2fk0C01
类 Class class2 — Mainly Beta
架构 Architecture architecture10 — Ribbon
拓扑 Topology topology77 — Hemagglutinin; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily10 — Hemagglutinin Chain A, Domain 2
结构域编号 domain_id2fk0C02
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
同源超家族 H-superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
结构域编号 domain_id2fk0D00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily10
结构域编号 domain_id2fk0E01
类 Class class2 — Mainly Beta
架构 Architecture architecture10 — Ribbon
拓扑 Topology topology77 — Hemagglutinin; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily10 — Hemagglutinin Chain A, Domain 2
结构域编号 domain_id2fk0E02
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
同源超家族 H-superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
结构域编号 domain_id2fk0F00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily10
结构域编号 domain_id2fk0G01
类 Class class2 — Mainly Beta
架构 Architecture architecture10 — Ribbon
拓扑 Topology topology77 — Hemagglutinin; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily10 — Hemagglutinin Chain A, Domain 2
结构域编号 domain_id2fk0G02
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
同源超家族 H-superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
结构域编号 domain_id2fk0H00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily10
结构域编号 domain_id2fk0I01
类 Class class2 — Mainly Beta
架构 Architecture architecture10 — Ribbon
拓扑 Topology topology77 — Hemagglutinin; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily10 — Hemagglutinin Chain A, Domain 2
结构域编号 domain_id2fk0I02
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
同源超家族 H-superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
结构域编号 domain_id2fk0J00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily10
结构域编号 domain_id2fk0K01
类 Class class2 — Mainly Beta
架构 Architecture architecture10 — Ribbon
拓扑 Topology topology77 — Hemagglutinin; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily10 — Hemagglutinin Chain A, Domain 2
结构域编号 domain_id2fk0K02
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
同源超家族 H-superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
结构域编号 domain_id2fk0L00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily10
结构域编号 domain_id2fk0M01
类 Class class2 — Mainly Beta
架构 Architecture architecture10 — Ribbon
拓扑 Topology topology77 — Hemagglutinin; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily10 — Hemagglutinin Chain A, Domain 2
结构域编号 domain_id2fk0M02
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
同源超家族 H-superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
结构域编号 domain_id2fk0N00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily10
结构域编号 domain_id2fk0O01
类 Class class2 — Mainly Beta
架构 Architecture architecture10 — Ribbon
拓扑 Topology topology77 — Hemagglutinin; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily10 — Hemagglutinin Chain A, Domain 2
结构域编号 domain_id2fk0O02
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
同源超家族 H-superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
结构域编号 domain_id2fk0P00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily10
结构域编号 domain_id2fk0Q01
类 Class class2 — Mainly Beta
架构 Architecture architecture10 — Ribbon
拓扑 Topology topology77 — Hemagglutinin; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily10 — Hemagglutinin Chain A, Domain 2
结构域编号 domain_id2fk0Q02
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
同源超家族 H-superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
结构域编号 domain_id2fk0R00
类 Class class3 — Alpha Beta
架构 Architecture architecture90 — Alpha-Beta Complex
拓扑 Topology topology20 — Hemagglutinin Ectodomain; Chain B
同源超家族 H-superfamily homologous superfamily10

7. 引用文献 (1)

8. 文件与曲线 (10)