1kiu

FimH adhesin Q133N mutant-FimC chaperone complex with methyl-alpha-D-mannose

Method: X-RAY DIFFRACTION Dmax: 302.9 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

SAXS profile for 1kiu

P(r) 距离分布 P(r) Distribution

P(r) distribution for 1kiu
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1. 结构基本信息 1. Structure Basics

条目编号 entry_id1kiu
沉积日期 deposition_date2001-12-03
结构标题 titleFimH adhesin Q133N mutant-FimC chaperone complex with methyl-alpha-D-mannose
关键词 keywordsadhesin-chaperone complex, mannose-bound, CHAPERONE-CELL ADHESION COMPLEX; CHAPERONE/CELL ADHESION
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_guinier90.52
回转半径 Rg (电子) rg_electron90.93
零角强度 I(0) i02337760000.00
分子量 molecular_weight415620.0 kDa
排除体积 excluded_volume522020 ų
包络体积 envelope_volume1068700 ų
水化壳体积 shell_volume101300 ų
包络直径 envelope_diameter275.5
壳层 Rg shell_rg87.71
包络 Rg envelope_rg83.37
形状 Rg shape_rg90.93
总 Rg total_rg90.87
总原子数 total_atoms29280
残基数 n_residues3872
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 dmax302.9
Rg (实空间) rg_real93.95
Rg 误差 (实空间) rg_real_error1.75
I(0) (实空间) i0_real2.3390e+09
I(0) 误差 (实空间) i0_real_error5.3040e+07
Rg (倒空间) rg_reciprocal87.39
I(0) (倒空间) i0_reciprocal2315000000.0000
解质量估计 total_estimate0.8434
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks2
主峰位置 r_peak_primary71.3
偏度 Skewness skewness0.336
峰度 Kurtosis kurtosis-0.789
角度范围 angular_range— – 0.0850 −1
当前正则化参数 α current_alpha1.1660
最高正则化参数 α highest_alpha111200000.0000
实空间数据点数 n_real_points18
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.762; Stabil: 0.898; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.001

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) 64 domains

SCOP 2.08 (32 domains)

结构域编号 domain_idd1kiua1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.11 — PapD-like
家族 Family familyb.1.11.1 — Pilus chaperone
结构域编号 domain_idd1kiua2
类 Class classb — All beta proteins
折叠类型 Fold foldb.7 — C2 domain-like
超家族 Superfamily superfamilyb.7.2 — Periplasmic chaperone C-domain
家族 Family familyb.7.2.1 — Periplasmic chaperone C-domain
结构域编号 domain_idd1kiub1
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiub2
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiuc1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.11 — PapD-like
家族 Family familyb.1.11.1 — Pilus chaperone
结构域编号 domain_idd1kiuc2
类 Class classb — All beta proteins
折叠类型 Fold foldb.7 — C2 domain-like
超家族 Superfamily superfamilyb.7.2 — Periplasmic chaperone C-domain
家族 Family familyb.7.2.1 — Periplasmic chaperone C-domain
结构域编号 domain_idd1kiud1
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiud2
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiue1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.11 — PapD-like
家族 Family familyb.1.11.1 — Pilus chaperone
结构域编号 domain_idd1kiue2
类 Class classb — All beta proteins
折叠类型 Fold foldb.7 — C2 domain-like
超家族 Superfamily superfamilyb.7.2 — Periplasmic chaperone C-domain
家族 Family familyb.7.2.1 — Periplasmic chaperone C-domain
结构域编号 domain_idd1kiuf1
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiuf2
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiug1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.11 — PapD-like
家族 Family familyb.1.11.1 — Pilus chaperone
结构域编号 domain_idd1kiug2
类 Class classb — All beta proteins
折叠类型 Fold foldb.7 — C2 domain-like
超家族 Superfamily superfamilyb.7.2 — Periplasmic chaperone C-domain
家族 Family familyb.7.2.1 — Periplasmic chaperone C-domain
结构域编号 domain_idd1kiuh1
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiuh2
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiui1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.11 — PapD-like
家族 Family familyb.1.11.1 — Pilus chaperone
结构域编号 domain_idd1kiui2
类 Class classb — All beta proteins
折叠类型 Fold foldb.7 — C2 domain-like
超家族 Superfamily superfamilyb.7.2 — Periplasmic chaperone C-domain
家族 Family familyb.7.2.1 — Periplasmic chaperone C-domain
结构域编号 domain_idd1kiuj1
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiuj2
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiuk1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.11 — PapD-like
家族 Family familyb.1.11.1 — Pilus chaperone
结构域编号 domain_idd1kiuk2
类 Class classb — All beta proteins
折叠类型 Fold foldb.7 — C2 domain-like
超家族 Superfamily superfamilyb.7.2 — Periplasmic chaperone C-domain
家族 Family familyb.7.2.1 — Periplasmic chaperone C-domain
结构域编号 domain_idd1kiul1
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiul2
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kium1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.11 — PapD-like
家族 Family familyb.1.11.1 — Pilus chaperone
结构域编号 domain_idd1kium2
类 Class classb — All beta proteins
折叠类型 Fold foldb.7 — C2 domain-like
超家族 Superfamily superfamilyb.7.2 — Periplasmic chaperone C-domain
家族 Family familyb.7.2.1 — Periplasmic chaperone C-domain
结构域编号 domain_idd1kiun1
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiun2
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiuo1
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.11 — PapD-like
家族 Family familyb.1.11.1 — Pilus chaperone
结构域编号 domain_idd1kiuo2
类 Class classb — All beta proteins
折叠类型 Fold foldb.7 — C2 domain-like
超家族 Superfamily superfamilyb.7.2 — Periplasmic chaperone C-domain
家族 Family familyb.7.2.1 — Periplasmic chaperone C-domain
结构域编号 domain_idd1kiup1
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits
结构域编号 domain_idd1kiup2
类 Class classb — All beta proteins
折叠类型 Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
超家族 Superfamily superfamilyb.2.3 — Bacterial adhesins
家族 Family familyb.2.3.2 — Pilus subunits

CATH v4.4 (32 domains)

结构域编号 domain_id1kiuA01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuA02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuB01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuB02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuC01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuC02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuD01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuD02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuE01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuE02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuF01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuF02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuG01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuG02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuH01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuH02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuI01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuI02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuJ01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuJ02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuK01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuK02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuL01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuL02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuM01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuM02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuN01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuN02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuO01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuO02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id1kiuP01
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
结构域编号 domain_id1kiuP02
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily1090 — Fimbrial-type adhesion domain

7. 引用文献 (1)

8. 文件与曲线 (10)