4PYM

humanized rat apo-COMT bound to sulphate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0006584	biological_process	catecholamine metabolic process
A	0008171	molecular_function	O-methyltransferase activity
A	0016206	molecular_function	catechol O-methyltransferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K A 301

Chain	Residue
A	VAL226
A	ARG227
A	SER229
A	PHE232
A	HOH423
A	HOH591

---

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 A 302

Chain	Residue
A	GLY113
A	TYR114
A	SER115
A	HOH407
A	HOH550
A	HOH551
A	HOH589
A	ALA110
A	TYR111
A	CYS112

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01019","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12237326","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01019","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	7
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"22673903","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
A	ASP184	metal ligand
A	LYS187	proton shuttle (general acid/base)
A	ASP212	metal ligand
A	ASN213	metal ligand
A	GLU242	electrostatic stabiliser

---