1ZRM

CRYSTAL STRUCTURE OF THE REACTION INTERMEDIATE OF L-2-HALOACID DEHALOGENASE WITH 2-CHLORO-N-BUTYRATE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016787	molecular_function	hydrolase activity
A	0018784	molecular_function	(S)-2-haloacid dehalogenase activity
A	0019120	molecular_function	hydrolase activity, acting on acid halide bonds, in C-halide compounds

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BUA A 300

Chain	Residue
A	ASP10
A	LEU11
A	TYR12
A	SER118
A	ASN119
A	LYS151
A	ASN177

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
Details	Region: {"description":"Important for catalytic activity","evidences":[{"source":"PubMed","id":"7490277","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9614112","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"9614112","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7490277","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"9614112","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"MAY-1999","submissionDatabase":"PDB data bank","title":"The Structure of L-2-Haloacid Dehalogenase Complexed with a Reaction Product Reveals the Mechanism of Intermediate Hydrolysis in Dehalogenase.","authors":["Li Y.-F.","Hata Y.","Fujii T.","Kurihara T.","Esaki N."]}},{"source":"PDB","id":"1QH9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ZRM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ZRN","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"9614112","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1ZRM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ZRN","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI5
Number of Residues	3
Details	Site: {"description":"Important for catalytic activity","evidences":[{"source":"PubMed","id":"7490277","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9614112","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1lvh

Chain	Residue	Details
A	SER118
A	LYS151

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site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1lvh

Chain	Residue	Details
A	SER118
A	ASP10
A	ASP180
A	ARG41

---