2iuf

The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole

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	2iuf
沉积日期 deposition_date	2006-06-02
结构标题 title	The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole
关键词 keywords	OXIDOREDUCTASE; OXIDOREDUCTASE
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 (10)

Entity 1 polymer

描述 description	CATALASE
分子量 formula_weight	75583.0 kDa
EC 编号 ec_number	1.11.1.6
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,E
原子数 atom_count	12590

QQFLSQFYLNDQDVYLTSNVGGPIQDENSLSAGQRGATLLQDFIFREKIQRFDHERVPERAVHARGTGAHGTFTSYGDWSNLTAASFLSAEGKETPMFTRFSTVAGSRGSADTARDVHGFATRFYTDEGNFDIVGNNIPVFFIQDAILFPDLIHAVKPRGDNQIPQAATAHDSAWDFFSQQPSVLHTLLWAMAGHGIPRSFRHVNGFGVHTFRLVTDDGKTKLVKFHWKGLQGKASFVWEEAQQTAGKNADFMRQDLFQSIQAGRFPEWELGVQIMQEQDQLKFGFDLLDPTKIVPEELVPVTILGKMQLNRNPMNYFAETEQVMFQPGHIVRGVDFTEDPLLQGRLFSYLDTQLNRHGGPNFEQLPINRPRAPIHNNNRDGAGQMFIPLDPNAYSPNTENKGSPKQANETVGKGFFTAPERTASGKLQRTLSTTFENNWSQPRLFWNSLVNAQKEFIVDAMRFETSNVSSSVVRDDVIIQLNRISDNLATRVASAIGVEAPKPNSSFYHDNTTAHIGAFGEKLAKLDGLKVGLLASVNKPASIAQGAKLQVALSSVGVDVVVVAERMANNVDETYSASDAVQFDAVVVADGAEGLFGADSFTVEPSAGSGASTLYPAGRPLNILLDAFRFGKTVGALGSGSDALESGQISSERQGVYTGKNAGDAFAKDIKSGLSTFKFLDRFAVDE

Entity 2 branched

描述 description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	424.4 kDa
来源方法 src_method	man
拷贝数 entity_count	1

Entity 3 non-polymer

描述 description	CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE
分子量 formula_weight	632.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 4 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	5

Entity 5 non-polymer

描述 description	OXYGEN ATOM
分子量 formula_weight	16.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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	6

Entity 7 non-polymer

描述 description	ACETATE ION
分子量 formula_weight	59.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	13

Entity 8 non-polymer

描述 description	ETHANEPEROXOIC ACID
分子量 formula_weight	76.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	3

Entity 9 non-polymer

描述 description	(4S)-2-METHYL-2,4-PENTANEDIOL
分子量 formula_weight	118.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 10 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	1490

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6. 折叠分类 (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

结构域编号 domain_id	2iufA01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	180 — Catalase HpII, Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Catalase core domain

结构域编号 domain_id	2iufA02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1370 — Hemocyanin, N-terminal domain
同源超家族 H-superfamily homologous superfamily	20 — Catalase, four-helical domain

结构域编号 domain_id	2iufA03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	880 — Class I glutamine amidotransferase (GATase) domain

结构域编号 domain_id	2iufE01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	180 — Catalase HpII, Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Catalase core domain

结构域编号 domain_id	2iufE02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1370 — Hemocyanin, N-terminal domain
同源超家族 H-superfamily homologous superfamily	20 — Catalase, four-helical domain

结构域编号 domain_id	2iufE03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	880 — Class I glutamine amidotransferase (GATase) domain

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7. 引用文献 (1)

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晶胞边长 a length_a	142.440 Å
晶胞边长 b length_b	142.440 Å
晶胞边长 c length_c	132.230 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	120.00 °
晶胞分子数 Z z_pdb	12

空间群 space_group	P 31 2 1
空间群编号 int_tables_number	152
晶系 crystal_system	—

分辨率 resolution	1.710 Å
最低分辨率 resolution_low	119.520 Å
R 因子 r_factor	0.1310
R_work r_work	0.1290
R_free r_free	0.1540