1E1A

Crystal structure of DFPase from Loligo vulgaris

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005509	molecular_function	calcium ion binding
A	0008150	biological_process	biological_process
A	0016787	molecular_function	hydrolase activity
A	0046872	molecular_function	metal ion binding
A	0047862	molecular_function	diisopropyl-fluorophosphatase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA A 401

Chain	Residue
A	GLU21
A	ASN120
A	ASN175
A	ASP229
A	HOH2119
A	HOH2165
A	HOH2267

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site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 402

Chain	Residue
A	HIS274
A	HOH2044
A	HOH2270
A	HOH2306
A	ASP232
A	LEU273

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000269|PubMed:15966726

Chain	Residue	Details
A	HIS287

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site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000305

Chain	Residue	Details
A	GLU21
A	ASN120
A	ASN175
A	ASP229

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site_id	SWS_FT_FI3
Number of Residues	3
Details	BINDING: BINDING => ECO:0000269|PubMed:11435114, ECO:0000269|PubMed:14501113

Chain	Residue	Details
A	HIS274
A	ASP232
A	LEU273

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	6
Details	M-CSA 686

Chain	Residue	Details
A	GLU21	increase nucleophilicity, metal ligand, proton acceptor
A	GLU37	electrostatic stabiliser, increase basicity
A	ASN120	metal ligand
A	ASN175	metal ligand
A	ASP229	covalently attached, electrofuge, electrophile, increase nucleophilicity, metal ligand, nucleophile, proton acceptor
A	HIS287	increase nucleophilicity, proton acceptor

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