1n5x

Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound

Method: X-RAY DIFFRACTION

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Xanthine Dehydrogenase

物种未注明

当前结构中的状态

Assembly	物理组成	蛋白状态	分子拷贝数	共同组分	数据核对
1	蛋白同源多聚体	同源多聚体	蛋白 2	FE2/S2 (INORGANIC) CLUSTER × 4 PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER × 2 DIOXOTHIOMOLYBDENUM(VI) ION × 2 FLAVIN-ADENINE DINUCLEOTIDE × 2 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID × 2	与蛋白数一致

数据库中的同蛋白其他状态

查看构建体与数据证据

UniProt名称	XDH_BOVIN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–1331； UniProt 1–1331 作者链 B； PDB构建体 1–1331； UniProt 1–1331

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	1n5x
沉积日期 deposition_date	2002-11-07
结构标题 title	Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound
关键词 keywords	Oxidoreductase, Molybdopterin, TEI-6720, Flavoprotein, FAD, Iron-Sulfur Center, Fe2/S2 Center; OXIDOREDUCTASE
实验方法 method	X-RAY DIFFRACTION

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3. Official assembly/model 理论 SAXS Official SAXS Profiles

页面只读取最新 assembly 计算结果。每一条曲线都对应明确的 PDB、official biological assembly 和 coordinate model。

1n5x__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

下载该曲线 .dat

1n5x__assembly_1__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

1n5x__assembly_1__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	44.99 Å
Rg（电子密度）	45.28 Å
总 Rg	45.35 Å
原子数	20268
残基数	2580
排除体积	361970 Å³
最大 q	0.500 Å⁻¹

Assembly	Model	结构单元	聚集说明	状态	CRYSOL	操作
1	1	`1n5x__assembly_1__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载

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

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5. 实体与聚合物信息 Entities & Polymers (6)

实体 1 Entity 1 polymer

描述 description	Xanthine Dehydrogenase
分子量 formula_weight	146862.0 kDa
EC 编号 ec_number	1.1.1.204
来源方法 src_method	nat
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	20268

TADELVFFVNGKKVVEKNADPETTLLAYLRRKLGLRGTKLGCGEGGCGACTVMLSKYDRLQDKIIHFSANACLAPICTLHHVAVTTVEGIGSTKTRLHPVQERIAKSHGSQCGFCTPGIVMSMYTLLRNQPEPTVEEIEDAFQGNLCRCTGYRPILQGFRTFAKNGGCCGGNGNNPNCCMNQKKDHTVTLSPSLFNPEEFMPLDPTQEPIFPPELLRLKDVPPKQLRFEGERVTWIQASTLKELLDLKAQHPEAKLVVGNTEIGIEMKFKNQLFPMIICPAWIPELNAVEHGPEGISFGAACALSSVEKTLLEAVAKLPTQKTEVFRGVLEQLRWFAGKQVKSVASLGGNIITASPISDLNPVFMASGTKLTIVSRGTRRTVPMDHTFFPSYRKTLLGPEEILLSIEIPYSREDEFFSAFKQASRREDDIAKVTCGMRVLFQPGSMQVKELALCYGGMADRTISALKTTQKQLSKFWNEKLLQDVCAGLAEELSLSPDAPGGMIEFRRTLTLSFFFKFYLTVLKKLGKDSKDKCGKLDPTYTSATLLFQKHPPANIQLFQEVPNGQSKEDTVGRPLPHLAAAMQASGEAVYCDDIPRYENELFLRLVTSTRAHAKIKSIDVSEAQKVPGFVCFLSADDIPGSNETGLFNDETVFAKDTVTCVGHIIGAVVADTPEHAERAAHVVKVTYEDLPAIITIEDAIKNNSFYGSELKIEKGDLKKGFSEADNVVSGELYIGGQDHFYLETHCTIAIPKGEEGEMELFVSTQNAMKTQSFVAKMLGVPVNRILVRVKRMGGGFGGKETRSTLVSVAVALAAYKTGHPVRCMLDRNEDMLITGGRHPFLARYKVGFMKTGTIVALEVDHYSNAGNSRDLSHSIMERALFHMDNCYKIPNIRGTGRLCKTNLSSNTAFRGFGGPQALFIAENWMSEVAVTCGLPAEEVRWKNMYKEGDLTHFNQRLEGFSVPRCWDECLKSSQYYARKSEVDKFNKENCWKKRGLCIIPTKFGISFTVPFLNQAGALIHVYTDGSVLVSHGGTEMGQGLHTKMVQVASKALKIPISKIYISETSTNTVPNSSPTAASVSTDIYGQAVYEACQTILKRLEPFKKKNPDGSWEDWVMAAYQDRVSLSTTGFYRTPNLGYSFETNSGNAFHYFTYGVACSEVEIDCLTGDHKNLRTDIVMDVGSSLNPAIDIGQVEGAFVQGLGLFTLEELHYSPEGSLHTRGPSTYKIPAFGSIPTEFRVSLLRDCPNKKAIYASKAVGEPPLFLGASVFFAIKDAIRAARAQHTNNNTKELFRLDSPATPEKIRNACVDKFTTLCVTGAPGNCKPWSLRV

实体 2 Entity 2 non-polymer

描述 description	FE2/S2 (INORGANIC) CLUSTER
分子量 formula_weight	175.8 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 3 Entity 3 non-polymer

描述 description	PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER
分子量 formula_weight	395.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 4 Entity 4 non-polymer

描述 description	DIOXOTHIOMOLYBDENUM(VI) ION
分子量 formula_weight	161.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 5 Entity 5 non-polymer

描述 description	FLAVIN-ADENINE DINUCLEOTIDE
分子量 formula_weight	785.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 6 Entity 6 non-polymer

描述 description	2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID
分子量 formula_weight	316.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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6. 折叠分类 (SCOP + CATH) 32 domains

SCOP 2.08 (12 domains)

结构域编号 domain_id	d1n5xa1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.56 — CO dehydrogenase ISP C-domain like
超家族 Superfamily superfamily	a.56.1 — CO dehydrogenase ISP C-domain like
家族 Family family	a.56.1.1 — CO dehydrogenase ISP C-domain like

结构域编号 domain_id	d1n5xa2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.4 — 2Fe-2S ferredoxin-like
家族 Family family	d.15.4.2 — 2Fe-2S ferredoxin domains from multidomain proteins

结构域编号 domain_id	d1n5xa3
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.41 — alpha/beta-Hammerhead
超家族 Superfamily superfamily	d.41.1 — CO dehydrogenase molybdoprotein N-domain-like
家族 Family family	d.41.1.1 — CO dehydrogenase molybdoprotein N-domain-like

结构域编号 domain_id	d1n5xa4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.87 — CO dehydrogenase flavoprotein C-domain-like
超家族 Superfamily superfamily	d.87.2 — CO dehydrogenase flavoprotein C-terminal domain-like
家族 Family family	d.87.2.1 — CO dehydrogenase flavoprotein C-terminal domain-like

结构域编号 domain_id	d1n5xa5
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.133 — Molybdenum cofactor-binding domain
超家族 Superfamily superfamily	d.133.1 — Molybdenum cofactor-binding domain
家族 Family family	d.133.1.1 — Molybdenum cofactor-binding domain

结构域编号 domain_id	d1n5xa6
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.145 — FAD-binding/transporter-associated domain-like
超家族 Superfamily superfamily	d.145.1 — FAD-binding/transporter-associated domain-like
家族 Family family	d.145.1.3 — CO dehydrogenase flavoprotein N-terminal domain-like

结构域编号 domain_id	d1n5xb1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.56 — CO dehydrogenase ISP C-domain like
超家族 Superfamily superfamily	a.56.1 — CO dehydrogenase ISP C-domain like
家族 Family family	a.56.1.1 — CO dehydrogenase ISP C-domain like

结构域编号 domain_id	d1n5xb2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.4 — 2Fe-2S ferredoxin-like
家族 Family family	d.15.4.2 — 2Fe-2S ferredoxin domains from multidomain proteins

结构域编号 domain_id	d1n5xb3
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.41 — alpha/beta-Hammerhead
超家族 Superfamily superfamily	d.41.1 — CO dehydrogenase molybdoprotein N-domain-like
家族 Family family	d.41.1.1 — CO dehydrogenase molybdoprotein N-domain-like

结构域编号 domain_id	d1n5xb4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.87 — CO dehydrogenase flavoprotein C-domain-like
超家族 Superfamily superfamily	d.87.2 — CO dehydrogenase flavoprotein C-terminal domain-like
家族 Family family	d.87.2.1 — CO dehydrogenase flavoprotein C-terminal domain-like

结构域编号 domain_id	d1n5xb5
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.133 — Molybdenum cofactor-binding domain
超家族 Superfamily superfamily	d.133.1 — Molybdenum cofactor-binding domain
家族 Family family	d.133.1.1 — Molybdenum cofactor-binding domain

结构域编号 domain_id	d1n5xb6
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.145 — FAD-binding/transporter-associated domain-like
超家族 Superfamily superfamily	d.145.1 — FAD-binding/transporter-associated domain-like
家族 Family family	d.145.1.3 — CO dehydrogenase flavoprotein N-terminal domain-like

CATH v4.4 (20 domains)

结构域编号 domain_id	1n5xA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	30 — Beta-grasp domain

结构域编号 domain_id	1n5xA02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	150 — DNA polymerase; domain 1
同源超家族 H-superfamily homologous superfamily	120 — [2Fe-2S]-binding domain

结构域编号 domain_id	1n5xA03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	43 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase, domain 2

结构域编号 domain_id	1n5xA04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	465 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 3
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1n5xA05
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	390 — Enolase-like; domain 1
同源超家族 H-superfamily homologous superfamily	50 — CO dehydrogenase flavoprotein, C-terminal domain

结构域编号 domain_id	1n5xA06
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	365 — Aldehyde Oxidoreductase; domain 4
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain

结构域编号 domain_id	1n5xA07
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1170 — Aldehyde Oxidoreductase; domain 3
同源超家族 H-superfamily homologous superfamily	50 — Aldehyde oxidase/xanthine dehydrogenase, a/b hammerhead

结构域编号 domain_id	1n5xA08
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	365 — Aldehyde Oxidoreductase; domain 4
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain

结构域编号 domain_id	1n5xA09
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	365 — Aldehyde Oxidoreductase; domain 4
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain

结构域编号 domain_id	1n5xA10
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	365 — Aldehyde Oxidoreductase; domain 4
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain

结构域编号 domain_id	1n5xB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	30 — Beta-grasp domain

结构域编号 domain_id	1n5xB02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	150 — DNA polymerase; domain 1
同源超家族 H-superfamily homologous superfamily	120 — [2Fe-2S]-binding domain

结构域编号 domain_id	1n5xB03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	43 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase, domain 2

结构域编号 domain_id	1n5xB04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	465 — Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 3
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	1n5xB05
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	390 — Enolase-like; domain 1
同源超家族 H-superfamily homologous superfamily	50 — CO dehydrogenase flavoprotein, C-terminal domain

结构域编号 domain_id	1n5xB06
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	365 — Aldehyde Oxidoreductase; domain 4
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain

结构域编号 domain_id	1n5xB07
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1170 — Aldehyde Oxidoreductase; domain 3
同源超家族 H-superfamily homologous superfamily	50 — Aldehyde oxidase/xanthine dehydrogenase, a/b hammerhead

结构域编号 domain_id	1n5xB08
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	365 — Aldehyde Oxidoreductase; domain 4
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain

结构域编号 domain_id	1n5xB09
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	365 — Aldehyde Oxidoreductase; domain 4
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain

结构域编号 domain_id	1n5xB10
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	365 — Aldehyde Oxidoreductase; domain 4
同源超家族 H-superfamily homologous superfamily	10 — Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain

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晶胞边长 a length_a	168.269 Å
晶胞边长 b length_b	124.659 Å
晶胞边长 c length_c	147.325 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.99 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	2.800 Å
最低分辨率 resolution_low	20.000 Å
R 因子 r_factor	—
R_work r_work	0.2440
R_free r_free	0.2750

Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound

1. 蛋白身份与相关结构 Protein Identity & Related Structures

Xanthine Dehydrogenase

当前结构中的状态

数据库中的同蛋白其他状态

2. 结构基本信息 2. Structure Basics

3. Official assembly/model 理论 SAXS Official SAXS Profiles

1n5x__assembly_1__model_1

1n5x__assembly_1__model_1 | I(q)

1n5x__assembly_1__model_1 | P(r) · Pending

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. 实体与聚合物信息 Entities & Polymers (6)

实体 1 Entity 1 polymer

聚合物 Polymer

实体 2 Entity 2 non-polymer

实体 3 Entity 3 non-polymer

实体 4 Entity 4 non-polymer

实体 5 Entity 5 non-polymer

实体 6 Entity 6 non-polymer

6. 折叠分类 (SCOP + CATH) 32 domains

SCOP 2.08 (12 domains)

CATH v4.4 (20 domains)

7. 引用文献 (2)

Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound

1. 蛋白身份与相关结构 Protein Identity & Related Structures

Xanthine Dehydrogenase

当前结构中的状态

数据库中的同蛋白其他状态

单体

同源二聚体

同源四聚体

其他同源多聚体

异源或核酸复合物

2. 结构基本信息 2. Structure Basics

3. Official assembly/model 理论 SAXS Official SAXS Profiles

1n5x__assembly_1__model_1

1n5x__assembly_1__model_1 | I(q)

1n5x__assembly_1__model_1 | P(r) · Pending

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. 实体与聚合物信息 Entities & Polymers (6)

实体 1 Entity 1 polymer

聚合物 Polymer

实体 2 Entity 2 non-polymer

实体 3 Entity 3 non-polymer

实体 4 Entity 4 non-polymer

实体 5 Entity 5 non-polymer

实体 6 Entity 6 non-polymer

6. 折叠分类 (SCOP + CATH) 32 domains

SCOP 2.08 (12 domains)

CATH v4.4 (20 domains)

7. 引用文献 (2)