2w54

Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus in Complex with Bound Inhibitor Pterin-6-aldehyde

Method: X-RAY DIFFRACTION

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

XANTHINE DEHYDROGENASE

RHODOBACTER CAPSULATUS

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	蛋白异源复合物	异源复合物	蛋白 2	XANTHINE DEHYDROGENASE × 1 （O54051） FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1 ;{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum ; × 1 BARIUM ION × 1 6-HYDROXYMETHYLPTERIN × 1	与蛋白数一致
2	蛋白异源复合物	异源复合物	蛋白 2	XANTHINE DEHYDROGENASE × 1 （O54051） FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1 ;{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum ; × 1 BARIUM ION × 1 6-HYDROXYMETHYLPTERIN × 1	与蛋白数一致
3	蛋白异源复合物	异源复合物	蛋白 2	XANTHINE DEHYDROGENASE × 1 （O54051） FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1 ;{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum ; × 1 BARIUM ION × 1 6-HYDROXYMETHYLPTERIN × 1	与蛋白数一致
4	蛋白异源复合物	异源复合物	蛋白 2	XANTHINE DEHYDROGENASE × 1 （O54051） FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1 ;{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum ; × 1 BARIUM ION × 1 6-HYDROXYMETHYLPTERIN × 1	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	O54050_RHOCA
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–462； UniProt 1–462 作者链 C； PDB构建体 1–462； UniProt 1–462 作者链 E； PDB构建体 1–462； UniProt 1–462 作者链 G； PDB构建体 1–462； UniProt 1–462

XANTHINE DEHYDROGENASE

RHODOBACTER CAPSULATUS

UniProt O54051

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	蛋白异源复合物	异源复合物	蛋白 2	XANTHINE DEHYDROGENASE × 1 （O54050） FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1 ;{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum ; × 1 BARIUM ION × 1 6-HYDROXYMETHYLPTERIN × 1	与蛋白数一致
2	蛋白异源复合物	异源复合物	蛋白 2	XANTHINE DEHYDROGENASE × 1 （O54050） FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1 ;{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum ; × 1 BARIUM ION × 1 6-HYDROXYMETHYLPTERIN × 1	与蛋白数一致
3	蛋白异源复合物	异源复合物	蛋白 2	XANTHINE DEHYDROGENASE × 1 （O54050） FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1 ;{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum ; × 1 BARIUM ION × 1 6-HYDROXYMETHYLPTERIN × 1	与蛋白数一致
4	蛋白异源复合物	异源复合物	蛋白 2	XANTHINE DEHYDROGENASE × 1 （O54050） FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1 ;{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum ; × 1 BARIUM ION × 1 6-HYDROXYMETHYLPTERIN × 1	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	O54051_RHOCA
Isoform	—
PDB实体	2
链与序列区间	作者链 B； PDB构建体 1–777； UniProt 1–777 作者链 D； PDB构建体 1–777； UniProt 1–777 作者链 F； PDB构建体 1–777； UniProt 1–777 作者链 H； PDB构建体 1–777； UniProt 1–777

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	2w54
沉积日期 deposition_date	2008-12-04
结构标题 title	Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus in Complex with Bound Inhibitor Pterin-6-aldehyde
关键词 keywords	OXIDOREDUCTASE, XANTHINE OXIDASE, PURINE CATABOLISM, P6A, IRON, IRON-SULFUR, METAL-BINDING, MOLYBDENUM COFACTOR; 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。

2w54__assembly_1__model_1

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

下载该曲线 .dat

2w54__assembly_1__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

2w54__assembly_1__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	31.44 Å
Rg（电子密度）	30.82 Å
总 Rg	31.33 Å
原子数	9197
残基数	1210
排除体积	162380 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	`2w54__assembly_1__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
2	1	`2w54__assembly_2__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
3	1	`2w54__assembly_3__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
4	1	`2w54__assembly_4__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 (7)

实体 1 Entity 1 polymer

描述 description	XANTHINE DEHYDROGENASE
分子量 formula_weight	49420.5 kDa
EC 编号 ec_number	1.1.1.204
来源方法 src_method	man
拷贝数 entity_count	4

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,C,E,G
原子数 atom_count	36788

MEIAFLLNGETRRVRIEDPTQSLLEWLRAEGLTGTKEGCNEGDCGACTVMIRDAAGSRAVNACLMMLPQIAGKALRTIEGIAAPDGRLHPVQQAMIDHHGSQCGFCTPGFIVSMAAAHDRDRKDYDDLLAGNLCRCTGYAPILRAAEAAAGEPPADWLQADAAFTLAQLSSGVRGQTAPAFLPETSDALADWYLAHPEATLIAGGTDVSLWVTKALRDLPEVAFLSHCKDLAQIRETPDGYGIGAGVTIAALRAFAEGPHPALAGLLRRFASEQVRQVATIGGNIANGSPIGDGPPALIAMGASLTLRRGQERRRMPLEDFFLEYRKQDRRPGEFVESVTLPKSAPGLRCYKLSKRFDQDISAVCGCLNLTLKGSKIETARIAFGGMAGVPKRAAAFEAALIGQDFREDTIAAALPLLAQDFTPLSDMRASAAYRMNAAQAMALRYVRELSGEAVAVLEVMP

来源 Source

来源生物 organism	RHODOBACTER CAPSULATUS
NCBI 分类编号 ncbi_taxonomy_id	1061
宿主生物 host_organism	ESCHERICHIA COLI

实体 2 Entity 2 polymer

描述 description	XANTHINE DEHYDROGENASE
分子量 formula_weight	82978.0 kDa
EC 编号 ec_number	1.1.1.204
来源方法 src_method	man
拷贝数 entity_count	4

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	B,D,F,H

MSVGKPLPHDSARAHVTGQARYLDDLPCPANTLHLAFGLSTEASAAITGLDLEPVRESPGVIAVFTAADLPHDNDASPAPSPEPVLATGEVHFVGQPIFLVAATSHRAARIAARKARITYAPRPAILTLDQALAADSRFEGGPVIWARGDVETALAGAAHLAEGCFEIGGQEHFYLEGQAALALPAEGGVVIHCSSQHPSEIQHKVAHALGLAFHDVRVEMRRMGGGFGGKESQGNHLAIACAVAARATGRPCKMRYDRDDDMVITGKRHDFRIRYRIGADASGKLLGADFVHLARCGWSADLSLPVCDRAMLHADGSYFVPALRIESHRLRTNTQSNTAFRGFGGPQGALGMERAIEHLARGMGRDPAELRALNFYDPPERGGLSAPPSPPEPIATKKTQTTHYGQEVADCVLGELVTRLQKSANFTTRRAEIAAWNSTNRTLARGIALSPVKFGISFTLTHLNQAGALVQIYTDGSVALNHGGTEMGQGLHAKMVQVAAAVLGIDPVQVRITATDTSKVPNTSATAASSGADMNGMAVKDACETLRGRLAGFVAAREGCAARDVIFDAGQVQASGKSWRFAEIVAAAYMARISLSATGFYATPKLSWDRLRGQGRPFLYFAYGAAITEVVIDRLTGENRILRTDILHDAGASLNPALDIGQIEGAYVQGAGWLTTEELVWDHCGRLMTHAPSTYKIPAFSDRPRIFNVALWDQPNREETIFRSKAVGEPPFLLGISAFLALHDACAACGPHWPDLQAPATPEAVLAAVRRAEGRA

来源 Source

来源生物 organism	RHODOBACTER CAPSULATUS
NCBI 分类编号 ncbi_taxonomy_id	1061
宿主生物 host_organism	ESCHERICHIA COLI

实体 3 Entity 3 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	8

实体 4 Entity 4 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	4

实体 5 Entity 5 non-polymer

描述 description	;{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum ;
分子量 formula_weight	554.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 6 Entity 6 non-polymer

描述 description	BARIUM ION
分子量 formula_weight	137.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 7 Entity 7 non-polymer

描述 description	6-HYDROXYMETHYLPTERIN
分子量 formula_weight	193.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

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6. 折叠分类 (SCOP + CATH) 40 domains

CATH v4.4 (40 domains)

结构域编号 domain_id	2w54A01
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	2w54A02
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	2w54A03
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	2w54A04
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	2w54A05
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	2w54B01
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	2w54B02
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	2w54B03
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	2w54B04
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	2w54B05
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	2w54C01
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	2w54C02
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	2w54C03
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	2w54C04
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	2w54C05
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	2w54D01
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	2w54D02
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	2w54D03
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	2w54D04
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	2w54D05
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	2w54E01
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	2w54E02
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	2w54E03
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	2w54E04
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	2w54E05
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	2w54F01
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	2w54F02
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	2w54F03
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	2w54F04
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	2w54F05
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	2w54G01
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	2w54G02
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	2w54G03
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	2w54G04
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	2w54G05
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	2w54H01
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	2w54H02
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	2w54H03
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	2w54H04
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	2w54H05
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

▶

晶胞边长 a length_a	92.571 Å
晶胞边长 b length_b	140.695 Å
晶胞边长 c length_c	157.859 Å
晶胞夹角 α angle_alpha	109.63 °
晶胞夹角 β angle_beta	105.83 °
晶胞夹角 γ angle_gamma	101.23 °
晶胞分子数 Z z_pdb	4

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

分辨率 resolution	3.300 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	0.1880
R_work r_work	0.1860
R_free r_free	0.2240

Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus in Complex with Bound Inhibitor Pterin-6-aldehyde

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

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

2w54__assembly_1__model_1

2w54__assembly_1__model_1 | I(q)

2w54__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 (7)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 polymer

聚合物 Polymer

来源 Source

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

实体 7 Entity 7 non-polymer

6. 折叠分类 (SCOP + CATH) 40 domains

CATH v4.4 (40 domains)

7. 引用文献 (1)

Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus in Complex with Bound Inhibitor Pterin-6-aldehyde

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

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

2w54__assembly_1__model_1

2w54__assembly_1__model_1 | I(q)

2w54__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 (7)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 polymer

聚合物 Polymer

来源 Source

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

实体 7 Entity 7 non-polymer

6. 折叠分类 (SCOP + CATH) 40 domains

CATH v4.4 (40 domains)

7. 引用文献 (1)