2c4b

Inhibitor cystine knot protein McoEeTI fused to the catalytically inactive barnase mutant H102A

Method: X-RAY DIFFRACTION

SAXS 散射曲线 SAXS Profile

暂无 SAXS 图

P(r) 距离分布 P(r) Distribution

暂无 P(r) 图

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	2c4b
沉积日期 deposition_date	2005-10-18
结构标题 title	Inhibitor cystine knot protein McoEeTI fused to the catalytically inactive barnase mutant H102A
关键词 keywords	;SQUASH INHIBITOR, HYBRID MICROPROTEIN, FUSION PROTEIN, RIBONUCLEASE, ENDONUCLEASE, HYDROLASE, NUCLEASE, PROTEASE INHIBITOR, SERINE PROTEASE INHIBITOR ;; FUSION PROTEIN
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)

该条目暂无 SAXS 数据。

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

该条目暂无 P(r) 分析数据。

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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 (9)

Entity 1 polymer

描述 description	BARNASE MCOEETI FUSION
分子量 formula_weight	15727.7 kDa
EC 编号 ec_number	3.1.27.3
突变 mutation	YES
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	3057

QVINTFDGVADYLQTYHKLPDNYITKSEAQALGWVASKGNLADVAPGKSIGGDIFSNREGKLPGKSGRTWREADINYTSGFRNSDRILYSSDWLIYKTTDAYQTFTKIRSSSMGVCPKILKKCRRDSDCLAGCVCGPNGFCGS

来源 Source

来源生物 organism	ECBALLIUM ELATERIUM
NCBI 分类编号 ncbi_taxonomy_id	3679
宿主生物 host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

描述 description	NONAETHYLENE GLYCOL
分子量 formula_weight	414.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

Entity 3 non-polymer

描述 description	GLYCEROL
分子量 formula_weight	92.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 4 non-polymer

描述 description	1,2-ETHANEDIOL
分子量 formula_weight	62.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	10

Entity 5 non-polymer

描述 description	FORMIC ACID
分子量 formula_weight	46.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	3

Entity 6 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	17

Entity 7 non-polymer

描述 description	UNKNOWN ATOM OR ION
来源方法 src_method	syn
拷贝数 entity_count	15

Entity 8 non-polymer

描述 description	2-(N-MORPHOLINO)-ETHANESULFONIC ACID
分子量 formula_weight	195.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 9 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	509

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6. 折叠分类 (SCOP + CATH) 6 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d2c4ba1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.1 — Microbial ribonucleases
超家族 Superfamily superfamily	d.1.1 — Microbial ribonucleases
家族 Family family	d.1.1.2 — Bacterial ribonucleases

结构域编号 domain_id	d2c4ba2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.2 — Plant inhibitors of proteinases and amylases
家族 Family family	g.3.2.1 — Plant inhibitors of proteinases and amylases

结构域编号 domain_id	d2c4bb1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.1 — Microbial ribonucleases
超家族 Superfamily superfamily	d.1.1 — Microbial ribonucleases
家族 Family family	d.1.1.2 — Bacterial ribonucleases

结构域编号 domain_id	d2c4bb2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
超家族 Superfamily superfamily	g.3.2 — Plant inhibitors of proteinases and amylases
家族 Family family	g.3.2.1 — Plant inhibitors of proteinases and amylases

CATH v4.4 (2 domains)

结构域编号 domain_id	2c4bA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	450 — Nuclear Transport Factor 2; Chain: A,
同源超家族 H-superfamily homologous superfamily	30 — Microbial ribonucleases

结构域编号 domain_id	2c4bB00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	450 — Nuclear Transport Factor 2; Chain: A,
同源超家族 H-superfamily homologous superfamily	30 — Microbial ribonucleases

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7. 引用文献 (1)

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晶胞边长 a length_a	74.020 Å
晶胞边长 b length_b	217.710 Å
晶胞边长 c length_c	58.340 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	16

空间群 space_group	C 2 2 21
空间群编号 int_tables_number	20
晶系 crystal_system	—

分辨率 resolution	1.300 Å
最低分辨率 resolution_low	39.840 Å
R 因子 r_factor	0.1330
R_work r_work	0.1320
R_free r_free	0.1640