3DHY

Crystal Structures of Mycobacterium tuberculosis S-Adenosyl-L-Homocysteine Hydrolase in Ternary Complex with Substrate and Inhibitors

External Resource: Annotation

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

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
B	AdoHcyase_NAD	e3dhyB1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: AdoHcyase_NAD	ECOD (1.6)
B	AdoHcyase	e3dhyB2	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: Formate/glycerate dehydrogenase catalytic domain-like	F: AdoHcyase	ECOD (1.6)
D	AdoHcyase_NAD	e3dhyD1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: AdoHcyase_NAD	ECOD (1.6)
D	AdoHcyase	e3dhyD2	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: Formate/glycerate dehydrogenase catalytic domain-like	F: AdoHcyase	ECOD (1.6)
A	AdoHcyase_NAD	e3dhyA1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: AdoHcyase_NAD	ECOD (1.6)
A	AdoHcyase	e3dhyA2	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: Formate/glycerate dehydrogenase catalytic domain-like	F: AdoHcyase	ECOD (1.6)
C	AdoHcyase_NAD	e3dhyC1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: AdoHcyase_NAD	ECOD (1.6)
C	AdoHcyase	e3dhyC2	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: Formate/glycerate dehydrogenase catalytic domain-like	F: AdoHcyase	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
B	3.40.50.1480	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Adenosylhomocysteinase-like	CATH (4.3.0)
B	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
D	3.40.50.1480	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Adenosylhomocysteinase-like	CATH (4.3.0)
D	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
A	3.40.50.1480	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Adenosylhomocysteinase-like	CATH (4.3.0)
A	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
C	3.40.50.1480	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Adenosylhomocysteinase-like	CATH (4.3.0)
C	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF05221	S-adenosyl-L-homocysteine hydrolase (AdoHcyase)	S-adenosyl-L-homocysteine hydrolase	-	Domain
A, B, C, D	PF00670	S-adenosyl-L-homocysteine hydrolase, NAD binding domain (AdoHcyase_NAD)	S-adenosyl-L-homocysteine hydrolase, NAD binding domain	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	Adenosylhomocysteinase	NAD+ binding NAD binding binding nucleotide binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding heterocyclic compound binding small molecule binding protein binding enzyme binding NAD+ binding NAD binding binding nucleotide binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding heterocyclic compound binding small molecule binding protein binding enzyme binding zymogen binding hydrolase activity hydrolase activity, acting on carbon-sulfur bonds adenosylhomocysteinase activity catalytic activity	biological process involved in interspecies interaction between organisms entry of bacterium into host cell symbiont entry into host biological process involved in interaction with host biological process involved in symbiotic interaction S-adenosylmethionine cycle S-adenosylmethionine metabolic process sulfur compound metabolic process metabolic process cellular process serine family amino acid metabolic process oxoacid metabolic process sulfur amino acid metabolic process amino acid metabolic process biological process involved in interspecies interaction between organisms entry of bacterium into host cell symbiont entry into host biological process involved in interaction with host biological process involved in symbiotic interaction S-adenosylmethionine cycle S-adenosylmethionine metabolic process sulfur compound metabolic process metabolic process cellular process serine family amino acid metabolic process oxoacid metabolic process sulfur amino acid metabolic process amino acid metabolic process organic acid biosynthetic process organic acid metabolic process alpha-amino acid metabolic process carboxylic acid biosynthetic process non-proteinogenic amino acid metabolic process small molecule metabolic process non-proteinogenic amino acid biosynthetic process homocysteine metabolic process small molecule biosynthetic process carboxylic acid metabolic process primary metabolic process L-amino acid biosynthetic process homocysteine biosynthetic process L-amino acid metabolic process proteinogenic amino acid metabolic process amino acid biosynthetic process sulfur compound biosynthetic process biosynthetic process proteinogenic amino acid biosynthetic process serine family amino acid biosynthetic process L-homocysteine biosynthetic process sulfur amino acid biosynthetic process alpha-amino acid biosynthetic process one-carbon metabolic process glycosyl compound metabolic process carbohydrate derivative metabolic process nucleoside metabolic process purine-containing compound metabolic process nucleobase-containing compound metabolic process adenosine metabolic process nucleobase-containing small molecule metabolic process purine nucleoside metabolic process ribonucleoside metabolic process purine ribonucleoside metabolic process catabolic process aspartate family amino acid metabolic process organic acid catabolic process cellular catabolic process carboxylic acid catabolic process amino acid catabolic process aspartate family amino acid catabolic process L-amino acid catabolic process methionine metabolic process sulfur compound catabolic process sulfur amino acid catabolic process alpha-amino acid catabolic process proteinogenic amino acid catabolic process methionine catabolic process small molecule catabolic process adhesion of symbiont to host cell adhesion of symbiont to host	cellular anatomical structure extracellular region intracellular anatomical structure cytoplasm cytosol cell periphery plasma membrane membrane external encapsulating structure cell wall peptidoglycan-based cell wall

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR000043	Adenosylhomocysteinase-like	Family
A, B, C, D	IPR015878	S-adenosyl-L-homocysteine hydrolase, NAD binding domain	Domain
A, B, C, D	IPR036291	NAD(P)-binding domain superfamily	Homologous Superfamily
A, B, C, D	IPR020082	S-adenosyl-L-homocysteine hydrolase, conserved site	Conserved Site
A, B, C, D	IPR042172	Adenosylhomocysteinase-like superfamily	Homologous Superfamily

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.