1B6B

MELATONIN BIOSYNTHESIS: THE STRUCTURE OF SEROTONIN N-ACETYLTRANSFERASE AT 2.5 A RESOLUTION SUGGESTS A CATALYTIC MECHANISM

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
B	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	161
Details	Domain: {"description":"N-acetyltransferase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00532","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10319816","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11336675","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11902838","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11336675","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11884405","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11902838","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	4
Details	Site: {"description":"Important for the catalytic mechanism; involved in substrate deprotonation","evidences":[{"source":"PubMed","id":"10319816","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11884405","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	5
Details	a catalytic site defined by CSA, PubMed 10024876

Chain	Residue	Details
B	SER97
B	LEU111
B	HIS122
B	LEU124
B	TYR168

---

site_id	CSA2
Number of Residues	5
Details	a catalytic site defined by CSA, PubMed 10024876

Chain	Residue	Details
A	SER97
A	LEU111
A	HIS122
A	LEU124
A	TYR168

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site_id	MCSA1
Number of Residues	5
Details	M-CSA 22

Chain	Residue	Details
A	SER97	activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
A	LEU111	hydrogen bond acceptor, steric role
A	HIS122	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	LEU124	electrostatic stabiliser, hydrogen bond donor
A	TYR168	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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site_id	MCSA2
Number of Residues	5
Details	M-CSA 22

Chain	Residue	Details
B	SER97	activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
B	LEU111	hydrogen bond acceptor, steric role
B	HIS122	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	LEU124	electrostatic stabiliser, hydrogen bond donor
B	TYR168	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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