1MO2

Thioesterase Domain from 6-Deoxyerythronolide Synthase (DEBS TE), pH 8.5

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0009058	biological_process	biosynthetic process
B	0009058	biological_process	biosynthetic process

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Nucleophile; for thioesterase activity","evidences":[{"source":"UniProtKB","id":"Q9ZGI2","evidenceCode":"ECO:0000250"},{"source":"PubMed","id":"11752428","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"26592346","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Proton acceptor; for thioesterase activity","evidences":[{"source":"UniProtKB","id":"Q9ZGI2","evidenceCode":"ECO:0000250"},{"source":"PubMed","id":"11752428","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"26592346","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"Q9ZGI2","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"26592346","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1kez

Chain	Residue	Details
A	SER142
A	HIS259
A	ALA143
A	ASP169

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

Chain	Residue	Details
B	SER142
B	HIS259
B	ALA143
B	ASP169

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site_id	MCSA1
Number of Residues	4
Details	M-CSA 602

Chain	Residue	Details
A	SER142	covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor
A	ALA143	electrostatic stabiliser
A	ASP169	electrostatic stabiliser, modifies pKa
A	HIS259	proton acceptor, proton donor

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site_id	MCSA2
Number of Residues	4
Details	M-CSA 602

Chain	Residue	Details
B	SER142	covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor
B	ALA143	electrostatic stabiliser
B	ASP169	electrostatic stabiliser, modifies pKa
B	HIS259	proton acceptor, proton donor

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