2W54

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

External Resource: Annotation

Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
C	SCOP2B Superfamily	FAD-binding/transporter-associated domain-like	8037294	3000913	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	CO dehydrogenase flavoprotein C-terminal domain-like	8037293	3001921	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	CO dehydrogenase ISP C-domain like	8037287	3000439	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	2Fe-2S ferredoxin-like	8037290	3000113	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	FAD-binding/transporter-associated domain-like	8037294	3000913	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	CO dehydrogenase flavoprotein C-terminal domain-like	8037293	3001921	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	CO dehydrogenase ISP C-domain like	8037287	3000439	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	2Fe-2S ferredoxin-like	8037290	3000113	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	CO dehydrogenase ISP C-domain like	8037287	3000439	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	2Fe-2S ferredoxin-like	8037290	3000113	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	CO dehydrogenase flavoprotein C-terminal domain-like	8037293	3001921	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	FAD-binding/transporter-associated domain-like	8037294	3000913	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	2Fe-2S ferredoxin-like	8037290	3000113	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	CO dehydrogenase flavoprotein C-terminal domain-like	8037293	3001921	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	CO dehydrogenase ISP C-domain like	8037287	3000439	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	FAD-binding/transporter-associated domain-like	8037294	3000913	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Molybdenum cofactor-binding domain	8037297	3000625	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	CO dehydrogenase molybdoprotein N-domain-like	8037296	3000847	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	Molybdenum cofactor-binding domain	8037297	3000625	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	CO dehydrogenase molybdoprotein N-domain-like	8037296	3000847	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Molybdenum cofactor-binding domain	8037297	3000625	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	CO dehydrogenase molybdoprotein N-domain-like	8037296	3000847	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	Molybdenum cofactor-binding domain	8037297	3000625	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	CO dehydrogenase molybdoprotein N-domain-like	8037296	3000847	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
C	Fer2_2	e2w54C3	A: alpha bundles	X: CO dehydrogenase ISP C-domain like (From Topology)	H: CO dehydrogenase ISP C-domain like (From Topology)	T: CO dehydrogenase ISP C-domain like	F: Fer2_2	ECOD (1.6)
C	Fer2	e2w54C4	A: a+b two layers	X: beta-Grasp	H: Ubiquitin-related	T: Ubiquitin-like	F: Fer2	ECOD (1.6)
C	CO_deh_flav_C	e2w54C2	A: a+b two layers	X: FAD-linked reductases, C-terminal domain-like	H: SufE/NifU (From Topology)	T: SufE/NifU	F: CO_deh_flav_C	ECOD (1.6)
C	FAD_binding_5	e2w54C1	A: a+b complex topology	X: FAD-binding domain-like	H: FAD-binding domain (From Topology)	T: FAD-binding domain	F: FAD_binding_5	ECOD (1.6)
E	Fer2_2	e2w54E3	A: alpha bundles	X: CO dehydrogenase ISP C-domain like (From Topology)	H: CO dehydrogenase ISP C-domain like (From Topology)	T: CO dehydrogenase ISP C-domain like	F: Fer2_2	ECOD (1.6)
E	Fer2	e2w54E4	A: a+b two layers	X: beta-Grasp	H: Ubiquitin-related	T: Ubiquitin-like	F: Fer2	ECOD (1.6)
E	CO_deh_flav_C	e2w54E2	A: a+b two layers	X: FAD-linked reductases, C-terminal domain-like	H: SufE/NifU (From Topology)	T: SufE/NifU	F: CO_deh_flav_C	ECOD (1.6)
E	FAD_binding_5	e2w54E1	A: a+b complex topology	X: FAD-binding domain-like	H: FAD-binding domain (From Topology)	T: FAD-binding domain	F: FAD_binding_5	ECOD (1.6)
G	Fer2_2	e2w54G3	A: alpha bundles	X: CO dehydrogenase ISP C-domain like (From Topology)	H: CO dehydrogenase ISP C-domain like (From Topology)	T: CO dehydrogenase ISP C-domain like	F: Fer2_2	ECOD (1.6)
G	Fer2	e2w54G4	A: a+b two layers	X: beta-Grasp	H: Ubiquitin-related	T: Ubiquitin-like	F: Fer2	ECOD (1.6)
G	CO_deh_flav_C	e2w54G2	A: a+b two layers	X: FAD-linked reductases, C-terminal domain-like	H: SufE/NifU (From Topology)	T: SufE/NifU	F: CO_deh_flav_C	ECOD (1.6)
G	FAD_binding_5	e2w54G1	A: a+b complex topology	X: FAD-binding domain-like	H: FAD-binding domain (From Topology)	T: FAD-binding domain	F: FAD_binding_5	ECOD (1.6)
A	Fer2_2	e2w54A3	A: alpha bundles	X: CO dehydrogenase ISP C-domain like (From Topology)	H: CO dehydrogenase ISP C-domain like (From Topology)	T: CO dehydrogenase ISP C-domain like	F: Fer2_2	ECOD (1.6)
A	Fer2	e2w54A4	A: a+b two layers	X: beta-Grasp	H: Ubiquitin-related	T: Ubiquitin-like	F: Fer2	ECOD (1.6)
A	CO_deh_flav_C	e2w54A2	A: a+b two layers	X: FAD-linked reductases, C-terminal domain-like	H: SufE/NifU (From Topology)	T: SufE/NifU	F: CO_deh_flav_C	ECOD (1.6)
A	FAD_binding_5	e2w54A1	A: a+b complex topology	X: FAD-binding domain-like	H: FAD-binding domain (From Topology)	T: FAD-binding domain	F: FAD_binding_5	ECOD (1.6)
B	Ald_Xan_dh_C2	e2w54B4	A: a+b two layers	X: MocoBD/DmpA-related (From Homology)	H: MocoBD/DmpA-related	T: Molybdenum cofactor-binding domain	F: Ald_Xan_dh_C2	ECOD (1.6)
B	Ald_Xan_dh_C	e2w54B3	A: a+b complex topology	X: alpha/beta-Hammerhead/Barrel-sandwich hybrid	H: alpha/beta-Hammerhead/Barrel-sandwich hybrid	T: CO dehydrogenase molybdoprotein N-domain-like	F: Ald_Xan_dh_C	ECOD (1.6)
H	Ald_Xan_dh_C2	e2w54H4	A: a+b two layers	X: MocoBD/DmpA-related (From Homology)	H: MocoBD/DmpA-related	T: Molybdenum cofactor-binding domain	F: Ald_Xan_dh_C2	ECOD (1.6)
H	Ald_Xan_dh_C	e2w54H2	A: a+b complex topology	X: alpha/beta-Hammerhead/Barrel-sandwich hybrid	H: alpha/beta-Hammerhead/Barrel-sandwich hybrid	T: CO dehydrogenase molybdoprotein N-domain-like	F: Ald_Xan_dh_C	ECOD (1.6)
D	Ald_Xan_dh_C2	e2w54D4	A: a+b two layers	X: MocoBD/DmpA-related (From Homology)	H: MocoBD/DmpA-related	T: Molybdenum cofactor-binding domain	F: Ald_Xan_dh_C2	ECOD (1.6)
D	Ald_Xan_dh_C	e2w54D3	A: a+b complex topology	X: alpha/beta-Hammerhead/Barrel-sandwich hybrid	H: alpha/beta-Hammerhead/Barrel-sandwich hybrid	T: CO dehydrogenase molybdoprotein N-domain-like	F: Ald_Xan_dh_C	ECOD (1.6)
F	Ald_Xan_dh_C2	e2w54F4	A: a+b two layers	X: MocoBD/DmpA-related (From Homology)	H: MocoBD/DmpA-related	T: Molybdenum cofactor-binding domain	F: Ald_Xan_dh_C2	ECOD (1.6)
F	Ald_Xan_dh_C	e2w54F2	A: a+b complex topology	X: alpha/beta-Hammerhead/Barrel-sandwich hybrid	H: alpha/beta-Hammerhead/Barrel-sandwich hybrid	T: CO dehydrogenase molybdoprotein N-domain-like	F: Ald_Xan_dh_C	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
C	3.10.20.30	Alpha Beta	Roll	Ubiquitin-like (UB roll)	Beta-grasp domain	CATH (4.3.0)
C	1.10.150.120	Mainly Alpha	Orthogonal Bundle	DNA polymerase	domain 1	CATH (4.3.0)
C	3.30.43.10	Alpha Beta	2-Layer Sandwich	Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase	domain 2	CATH (4.3.0)
C	3.30.465.10	Alpha Beta	2-Layer Sandwich	Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase	domain 3	CATH (4.3.0)
C	3.30.390.50	Alpha Beta	2-Layer Sandwich	Enolase-like	domain 1	CATH (4.3.0)
E	3.10.20.30	Alpha Beta	Roll	Ubiquitin-like (UB roll)	Beta-grasp domain	CATH (4.3.0)
E	1.10.150.120	Mainly Alpha	Orthogonal Bundle	DNA polymerase	domain 1	CATH (4.3.0)
E	3.30.43.10	Alpha Beta	2-Layer Sandwich	Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase	domain 2	CATH (4.3.0)
E	3.30.465.10	Alpha Beta	2-Layer Sandwich	Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase	domain 3	CATH (4.3.0)
E	3.30.390.50	Alpha Beta	2-Layer Sandwich	Enolase-like	domain 1	CATH (4.3.0)
G	3.10.20.30	Alpha Beta	Roll	Ubiquitin-like (UB roll)	Beta-grasp domain	CATH (4.3.0)
G	1.10.150.120	Mainly Alpha	Orthogonal Bundle	DNA polymerase	domain 1	CATH (4.3.0)
G	3.30.43.10	Alpha Beta	2-Layer Sandwich	Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase	domain 2	CATH (4.3.0)
G	3.30.465.10	Alpha Beta	2-Layer Sandwich	Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase	domain 3	CATH (4.3.0)
G	3.30.390.50	Alpha Beta	2-Layer Sandwich	Enolase-like	domain 1	CATH (4.3.0)
A	3.10.20.30	Alpha Beta	Roll	Ubiquitin-like (UB roll)	Beta-grasp domain	CATH (4.3.0)
A	1.10.150.120	Mainly Alpha	Orthogonal Bundle	DNA polymerase	domain 1	CATH (4.3.0)
A	3.30.43.10	Alpha Beta	2-Layer Sandwich	Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase	domain 2	CATH (4.3.0)
A	3.30.465.10	Alpha Beta	2-Layer Sandwich	Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase	domain 3	CATH (4.3.0)
A	3.30.390.50	Alpha Beta	2-Layer Sandwich	Enolase-like	domain 1	CATH (4.3.0)
B	3.90.1170.50	Alpha Beta	Alpha-Beta Complex	Aldehyde Oxidoreductase	domain 3	CATH (4.3.0)
B	3.30.365.10	Alpha Beta	2-Layer Sandwich	Aldehyde Oxidoreductase	domain 4	CATH (4.3.0)
H	3.90.1170.50	Alpha Beta	Alpha-Beta Complex	Aldehyde Oxidoreductase	domain 3	CATH (4.3.0)
H	3.30.365.10	Alpha Beta	2-Layer Sandwich	Aldehyde Oxidoreductase	domain 4	CATH (4.3.0)
D	3.90.1170.50	Alpha Beta	Alpha-Beta Complex	Aldehyde Oxidoreductase	domain 3	CATH (4.3.0)
D	3.30.365.10	Alpha Beta	2-Layer Sandwich	Aldehyde Oxidoreductase	domain 4	CATH (4.3.0)
F	3.90.1170.50	Alpha Beta	Alpha-Beta Complex	Aldehyde Oxidoreductase	domain 3	CATH (4.3.0)
F	3.30.365.10	Alpha Beta	2-Layer Sandwich	Aldehyde Oxidoreductase	domain 4	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, C, E, G	PF01799	[2Fe-2S] binding domain (Fer2_2)	[2Fe-2S] binding domain	-	Domain
A, C, E, G	PF03450	CO dehydrogenase flavoprotein C-terminal domain (CO_deh_flav_C)	CO dehydrogenase flavoprotein C-terminal domain	-	Domain
A, C, E, G	PF00111	2Fe-2S iron-sulfur cluster binding domain (Fer2)	2Fe-2S iron-sulfur cluster binding domain	-	Domain
B, D, F, H	PF01315	Aldehyde oxidase and xanthine dehydrogenase, a/b hammerhead domain (Ald_Xan_dh_C)	Aldehyde oxidase and xanthine dehydrogenase, a/b hammerhead domain	-	Domain
B, D, F, H	PF20256	Molybdopterin cofactor-binding domain (MoCoBD_2)	Molybdopterin cofactor-binding domain	-	Domain
B, D, F, H	PF02738	Molybdopterin cofactor-binding domain (MoCoBD_1)	Molybdopterin cofactor-binding domain	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, C, E, G	XANTHINE DEHYDROGENASE	iron-sulfur cluster binding 2 iron, 2 sulfur cluster binding binding metal cluster binding small molecule binding FAD binding flavin adenine dinucleotide binding nucleoside phosphate binding ion binding organic cyclic compound binding anion binding nucleotide binding heterocyclic compound binding cation binding iron-sulfur cluster binding 2 iron, 2 sulfur cluster binding binding metal cluster binding small molecule binding FAD binding flavin adenine dinucleotide binding nucleoside phosphate binding ion binding organic cyclic compound binding anion binding nucleotide binding heterocyclic compound binding cation binding transition metal ion binding iron ion binding metal ion binding oxidoreductase activity oxidoreductase activity, acting on CH or CH2 groups oxidoreductase activity, acting on CH or CH2 groups, NAD or NADP as acceptor xanthine dehydrogenase activity catalytic activity	-	-
B, D, F, H	XANTHINE DEHYDROGENASE	oxidoreductase activity catalytic activity cation binding transition metal ion binding molybdenum ion binding ion binding binding metal ion binding small molecule binding iron ion binding	-	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, C, E, G	IPR016167	FAD-binding, type PCMH, subdomain 1	Homologous Superfamily
A, C, E, G	IPR036683	CO dehydrogenase flavoprotein, C-terminal domain superfamily	Homologous Superfamily
A, C, E, G	IPR012175	Xanthine dehydrogenase, small subunit, bacteria	Family
A, C, E, G	IPR036010	2Fe-2S ferredoxin-like superfamily	Homologous Superfamily
A, C, E, G	IPR001041	2Fe-2S ferredoxin-type iron-sulfur binding domain	Domain
A, C, E, G	IPR006058	2Fe-2S ferredoxin, iron-sulphur binding site	Binding Site
A, C, E, G	IPR016166	FAD-binding domain, PCMH-type	Domain
A, C, E, G	IPR002346	Molybdopterin dehydrogenase, FAD-binding	Domain
A, C, E, G	IPR014307	Xanthine dehydrogenase, small subunit	Domain
A, C, E, G	IPR002888	[2Fe-2S]-binding	Domain
A, C, E, G	IPR036318	FAD-binding, type PCMH-like superfamily	Homologous Superfamily
A, C, E, G	IPR016169	FAD-binding, type PCMH, subdomain 2	Homologous Superfamily
A, C, E, G	IPR036884	[2Fe-2S]-binding domain superfamily	Homologous Superfamily
A, C, E, G	IPR016208	Aldehyde oxidase/xanthine dehydrogenase-like	Family
A, C, E, G	IPR012675	Beta-grasp domain superfamily	Homologous Superfamily
A, C, E, G	IPR005107	CO dehydrogenase flavoprotein, C-terminal	Domain
B, D, F, H	IPR046867	Aldehyde oxidase/xanthine dehydrogenase, second molybdopterin binding domain	Domain
B, D, F, H	IPR000674	Aldehyde oxidase/xanthine dehydrogenase, a/b hammerhead	Domain
B, D, F, H	IPR014309	Xanthine dehydrogenase, molybdopterin binding subunit	Domain
B, D, F, H	IPR016208	Aldehyde oxidase/xanthine dehydrogenase-like	Family
B, D, F, H	IPR036856	Aldehyde oxidase/xanthine dehydrogenase, a/b hammerhead superfamily	Homologous Superfamily
B, D, F, H	IPR037165	Aldehyde oxidase/xanthine dehydrogenase, molybdopterin binding domain superfamily	Homologous Superfamily
B, D, F, H	IPR008274	Aldehyde oxidase/xanthine dehydrogenase, first molybdopterin binding domain	Domain