1nf7

;Ternary complex of the human type II Inosine Monophosphate Dedhydrogenase with Ribavirin Monophosphate and C2-Mycophenolic Adenine Dinucleotide ;

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	1nf7
沉积日期 deposition_date	2002-12-13
结构标题 title	;Ternary complex of the human type II Inosine Monophosphate Dedhydrogenase with Ribavirin Monophosphate and C2-Mycophenolic Adenine Dinucleotide ;
关键词 keywords	8 STRANDED PARALLE ALPHA/BETA BARREL, DEHYDROGENASE, IMPD, IMPDH, RIBAVIRIN MONOPHOSPHATE, C2-MAD, 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 (6)

Entity 1 polymer

描述 description	;Inosine-5'-monophosphate dehydrogenase 2 ;
分子量 formula_weight	55874.9 kDa
EC 编号 ec_number	1.1.1.205
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	7114

MADYLISGGTSYVPDDGLTAQQLFNCGDGLTYNDFLILPGYIDFTADQVDLTSALTKKITLKTPLVSSPMDTVTEAGMAIAMALTGGIGFIHHNCTPEFQANEVRKVKKYEQGFITDPVVLSPKDRVRDVFEAKARHGFCGIPITDTGRMGSRLVGIISSRDIDFLKEEEHDCFLEEIMTKREDLVVAPAGITLKEANEILQRSKKGKLPIVNEDDELVAIIARTDLKKNRDYPLASKDAKKQLLCGAAIGTHEDDKYRLDLLAQAGVDVVVLDSSQGNSIFQINMIKYIKDKYPNLQVIGGNVVTAAQAKNLIDAGVDALRVGMGSGSICITQEVLACGRPQATAVYKVSEYARRFGVPVIADGGIQNVGHIAKALALGASTVMMGSLLAATTEAPGEYFFSDGIRLKKYRGMGSLDAMDKHLSSQNRYFSEADKIKVAQGVSGAVQDKGSIHKFVPYLIAGIQHSCQDIGAKSLTQVRAMMYSGELKFEKRTSSAQVEGGVHSLHSYEKRLF

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

描述 description	POTASSIUM ION
分子量 formula_weight	39.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 3 non-polymer

描述 description	RIBAVIRIN MONOPHOSPHATE
分子量 formula_weight	324.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 4 non-polymer

描述 description	;{[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-PHOSPHORYLMETHYL}-PHOSPHONIC ACID MONO-[2-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-ETHYL] ESTER ;
分子量 formula_weight	645.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 5 non-polymer

描述 description	UNKNOWN LIGAND
分子量 formula_weight	103.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	11

Entity 6 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	93

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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	d1nf7a1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.5 — Inosine monophosphate dehydrogenase (IMPDH)
家族 Family family	c.1.5.1 — Inosine monophosphate dehydrogenase (IMPDH)

结构域编号 domain_id	d1nf7a4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.37 — CBS-domain pair
超家族 Superfamily superfamily	d.37.1 — CBS-domain pair
家族 Family family	d.37.1.1 — CBS-domain pair

结构域编号 domain_id	d1nf7b1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.5 — Inosine monophosphate dehydrogenase (IMPDH)
家族 Family family	c.1.5.1 — Inosine monophosphate dehydrogenase (IMPDH)

结构域编号 domain_id	d1nf7b4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.37 — CBS-domain pair
超家族 Superfamily superfamily	d.37.1 — CBS-domain pair
家族 Family family	d.37.1.1 — CBS-domain pair

CATH v4.4 (2 domains)

结构域编号 domain_id	1nf7A00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

结构域编号 domain_id	1nf7B00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

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7. 引用文献 (1)

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晶胞边长 a length_a	146.580 Å
晶胞边长 b length_b	146.580 Å
晶胞边长 c length_c	128.920 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	I 4
空间群编号 int_tables_number	79
晶系 crystal_system	—

分辨率 resolution	2.650 Å
最低分辨率 resolution_low	41.240 Å
R 因子 r_factor	0.2380
R_work r_work	0.2380
R_free r_free	0.2770