2hpc

Crystal structure of fragment D from Human Fibrinogen Complexed with Gly-Pro-Arg-Pro-amide.

Method: X-RAY DIFFRACTION D_max: 218.4 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2hpc
沉积日期 deposition_date	2006-07-17
结构标题 title	Crystal structure of fragment D from Human Fibrinogen Complexed with Gly-Pro-Arg-Pro-amide.
关键词 keywords	fibrin knob-hole interaction, BLOOD CLOTTING; BLOOD CLOTTING
实验方法 method	X-RAY DIFFRACTION

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

回转半径 Rg (Guinier) rg_guinier	69.91 Å
回转半径 Rg (电子) rg_electron	71.51 Å
零角强度 I(0) i0	1524010000.00
分子量 molecular_weight	317050.0 kDa
排除体积 excluded_volume	391860 Å³
包络体积 envelope_volume	582100 Å³
水化壳体积 shell_volume	76917 Å³
包络直径 envelope_diameter	306.1 Å
壳层 Rg shell_rg	57.09 Å
包络 Rg envelope_rg	72.94 Å
形状 Rg shape_rg	71.40 Å
总 Rg total_rg	71.54 Å
总原子数 total_atoms	22270
残基数 n_residues	2762
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/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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

最大尺寸 Dmax dmax	218.4 Å
Rg (实空间) rg_real	68.56 Å
Rg 误差 (实空间) rg_real_error	1.69 Å
I(0) (实空间) i0_real	1.5100e+09
I(0) 误差 (实空间) i0_real_error	3.1240e+07
Rg (倒空间) rg_reciprocal	67.01 Å
I(0) (倒空间) i0_reciprocal	1514000000.0000
解质量估计 total_estimate	0.8369
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	59.6 Å
偏度 Skewness skewness	0.603
峰度 Kurtosis kurtosis	-0.254
角度范围 angular_range	— – 0.1100 Å⁻¹
当前正则化参数 α current_alpha	0.0209
最高正则化参数 α highest_alpha	31710000.0000
实空间数据点数 n_real_points	23
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.841; Stabil: 0.989; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.369

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4. 晶体学与实验 4. Crystallography & Experiment

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5. 实体与聚合体信息 (6)

Entity 1 polymer

描述 description	Fibrinogen alpha chain
分子量 formula_weight	10245.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,D,G,J
原子数 atom_count	22270

VSEDLRSRIEVLKRKVIEKVQHIQLLQKNVRAQLVDMKRLEVDIDIKIRSCRGSCSRALAREVDLKDYEDQQKQLEQVIAKDLLPSR

Entity 2 polymer

描述 description	Fibrinogen beta chain
分子量 formula_weight	37692.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B,E,H,K

DNENVVNEYSSELEKHQLYIDETVNSNIPTNLRVLRSILENLRSKIQKLESDVSAQMEYCRTPCTVSCNIPVVSGKECEEIIRKGGETSEMYLIQPDSSVKPYRVYCDMNTENGGWTVIQNRQDGSVDFGRKWDPYKQGFGNVATNTDGKNYCGLPGEYWLGNDKISQLTRMGPTELLIEMEDWKGDKVKAHYGGFTVQNEANKYQISVNKYRGTAGNALMDGASQLMGENRTMTIHNGMFFSTYDRDNDGWLTSDPRKQCSKEDGGGWWYNRCHAANPNGRYYWGGQYTWDMAKHGTDDGVVWMNWKGSWYSMRKMSMKIRPFFPQQ

Entity 3 polymer

描述 description	Fibrinogen, gamma polypeptide
分子量 formula_weight	36564.6 kDa
来源方法 src_method	nat
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	C,F,I,L

MLEEIMKYEASILTHDSSIRYLQEIYNSNNQKIVNLKEKVAQLEAQCQEPCKDTVQIHDITGKDCQDIANKGAKQSGLYFIKPLKANQQFLVYCEIDGSGNGWTVFQKRLDGSVDFKKNWIQYKEGFGHLSPTGTTEFWLGNEKIHLISTQSAIPYALRVELEDWNGRTSTADYAMFKVGPEADKYRLTYAYFAGGDAGDAFDGFDFGDDPSDKFFTSHNGMQFSTWDNDNDKFEGNCAEQDGSGWWMNKCHAGHLNGVYYQGGTYSKASTPNGYDNGIIWATWKTRWYSMKKTTMKIIPFNRLTIGEGQQHHLGGAKQAGDV

Entity 4 polymer

描述 description	Gly-Pro-Arg-Pro-amide peptide ligand
分子量 formula_weight	424.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	8

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	M,N,O,P,Q,R,S,T

GPRPX

Entity 5 non-polymer

描述 description	2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	221.2 kDa
来源方法 src_method	man
拷贝数 entity_count	4

Entity 6 non-polymer

描述 description	CALCIUM ION
分子量 formula_weight	40.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	10

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6. 折叠分类 (SCOP + CATH) 28 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d2hpca1
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.8 — Fibrinogen coiled-coil and central regions
家族 Family family	h.1.8.1 — Fibrinogen coiled-coil and central regions

结构域编号 domain_id	d2hpcd1
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.8 — Fibrinogen coiled-coil and central regions
家族 Family family	h.1.8.1 — Fibrinogen coiled-coil and central regions

结构域编号 domain_id	d2hpcg1
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.8 — Fibrinogen coiled-coil and central regions
家族 Family family	h.1.8.1 — Fibrinogen coiled-coil and central regions

结构域编号 domain_id	d2hpcj1
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.8 — Fibrinogen coiled-coil and central regions
家族 Family family	h.1.8.1 — Fibrinogen coiled-coil and central regions

CATH v4.4 (24 domains)

结构域编号 domain_id	2hpcA00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	50 —

结构域编号 domain_id	2hpcB01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	50 —

结构域编号 domain_id	2hpcB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Gamma Fibrinogen, chain A, domain 1

结构域编号 domain_id	2hpcB03
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2

结构域编号 domain_id	2hpcC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Gamma Fibrinogen, chain A, domain 1

结构域编号 domain_id	2hpcC02
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2

结构域编号 domain_id	2hpcD00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	50 —

结构域编号 domain_id	2hpcE01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	50 —

结构域编号 domain_id	2hpcE02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Gamma Fibrinogen, chain A, domain 1

结构域编号 domain_id	2hpcE03
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2

结构域编号 domain_id	2hpcF01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Gamma Fibrinogen, chain A, domain 1

结构域编号 domain_id	2hpcF02
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2

结构域编号 domain_id	2hpcG00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	50 —

结构域编号 domain_id	2hpcH01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	50 —

结构域编号 domain_id	2hpcH02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Gamma Fibrinogen, chain A, domain 1

结构域编号 domain_id	2hpcH03
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2

结构域编号 domain_id	2hpcI01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Gamma Fibrinogen, chain A, domain 1

结构域编号 domain_id	2hpcI02
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2

结构域编号 domain_id	2hpcJ00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	50 —

结构域编号 domain_id	2hpcK01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	50 —

结构域编号 domain_id	2hpcK02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Gamma Fibrinogen, chain A, domain 1

结构域编号 domain_id	2hpcK03
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2

结构域编号 domain_id	2hpcL01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	215 — Gamma Fibrinogen; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Gamma Fibrinogen, chain A, domain 1

结构域编号 domain_id	2hpcL02
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	530 — Gamma-fibrinogen Carboxyl Terminal Fragment; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Gamma-fibrinogen Carboxyl Terminal Fragment, domain 2

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7. 引用文献 (0)

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晶胞边长 a length_a	81.677 Å
晶胞边长 b length_b	46.069 Å
晶胞边长 c length_c	429.901 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	89.99 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	16

空间群 space_group	P 1 2 1
空间群编号 int_tables_number	3
晶系 crystal_system	—

分辨率 resolution	2.900 Å
最低分辨率 resolution_low	30.000 Å
R 因子 r_factor	0.2792
R_work r_work	0.2754
R_free r_free	0.3602

fit	/app/data/saxs_computation/hp/2hpc/2hpc.fit
pddf	/app/data/pr_computation/hp/2hpc/2hpc.pr.out
profile	/app/data/saxs_computation/hp/2hpc/2hpc.dat

Crystal structure of fragment D from Human Fibrinogen Complexed with Gly-Pro-Arg-Pro-amide.

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

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

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

4. 晶体学与实验 4. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

5. 实体与聚合体信息 (6)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

Entity 3 polymer

聚合体 Polymer

Entity 4 polymer

聚合体 Polymer

Entity 5 non-polymer

Entity 6 non-polymer

6. 折叠分类 (SCOP + CATH) 28 domains

SCOP 2.08 (4 domains)

CATH v4.4 (24 domains)

7. 引用文献 (0)

8. 文件与曲线 (10)

Files (7)

Curves (3)