1DWO

Crystal Structure of Hydroxynitrile Lyase from Manihot esculenta in Complex with Substrates Acetone and Chloroacetone:Implications for the Mechanism of Cyanogenesis

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0016829	molecular_function	lyase activity
A	0047606	molecular_function	(S)-hydroxynitrile lyase activity
A	0052891	molecular_function	aliphatic (S)-hydroxynitrile lyase activity
A	0052892	molecular_function	aromatic (S)-hydroxynitrile lyase activity
B	0003824	molecular_function	catalytic activity
B	0016829	molecular_function	lyase activity
B	0047606	molecular_function	(S)-hydroxynitrile lyase activity
B	0052891	molecular_function	aliphatic (S)-hydroxynitrile lyase activity
B	0052892	molecular_function	aromatic (S)-hydroxynitrile lyase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACN S 259

Chain	Residue
A	THR11
A	ILE12
A	SER80
A	CYS81
A	LEU149

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	474
Details	Domain: {"description":"AB hydrolase-1","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"PubMed","id":"11173464","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"11316882","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11173464","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DWO","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	2
Details	Site: {"description":"Increases basicity of active site His","evidences":[{"source":"PubMed","id":"11316882","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 11173464

Chain	Residue	Details
A	SER80
A	HIS236
A	ASP208
A	THR11

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site_id	CSA2
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 11173464

Chain	Residue	Details
B	SER80
B	HIS236
B	ASP208
B	THR11

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