4U2G

Crystal structure of dienelactone hydrolase B-4 variant (Q35H, F38L, Y64H, Q76L, Q110L, C123S, Y137C, A141V, Y145C, N154D, E199G, S208G, G211D, S233G and 237Q) at 1.80 A resolution

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008806	molecular_function	carboxymethylenebutenolidase activity
A	0009056	biological_process	catabolic process
A	0016787	molecular_function	hydrolase activity
A	0052689	molecular_function	carboxylic ester hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	binding site for residue SO4 A 301

Chain	Residue
A	MET1
A	ALA72
A	HOH480

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site_id	AC2
Number of Residues	5
Details	binding site for residue SO4 A 302

Chain	Residue
A	GLU46
A	SER49
A	PRO175
A	ALA176
A	HOH401

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site_id	AC3
Number of Residues	2
Details	binding site for residue SO4 A 303

Chain	Residue
A	THR15
A	HIS14

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Functional Information from PROSITE/UniProt

site_id	PS00061
Number of Residues	29
Details	ADH_SHORT Short-chain dehydrogenases/reductases family signature. DleaairyarHlpYSNGKVGLvGYSlGGA

Chain	Residue	Details
A	ASP99-ALA127

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	ACT_SITE: ACT_SITE => ECO:0000269|PubMed:3221394

Chain	Residue	Details
A	SER123
A	ASP171
A	HIS202

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	7
Details	M-CSA 492

Chain	Residue	Details
A	GLU36	proton shuttle (general acid/base)
A	ILE37	electrostatic stabiliser
A	TYR85	electrostatic stabiliser
A	SER123	electrostatic stabiliser
A	LEU124	electrostatic stabiliser
A	ASP171	electrostatic stabiliser
A	HIS202	electrostatic stabiliser

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