3A7E

Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol

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	5
Details	BINDING SITE FOR RESIDUE MG A 215

Chain	Residue
A	ASP141
A	ASP169
A	ASN170
A	SAM216
A	DNC217

---

site_id	AC2
Number of Residues	21
Details	BINDING SITE FOR RESIDUE SAM A 216

Chain	Residue
A	ALA67
A	TYR68
A	TYR71
A	SER72
A	ILE89
A	GLU90
A	ILE91
A	GLY117
A	SER119
A	GLN120
A	ASP141
A	HIS142
A	TRP143
A	ARG146
A	MG215
A	DNC217
A	HOH251
A	MET40
A	VAL42
A	GLU64
A	GLY66

---

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DNC A 217

Chain	Residue
A	TRP38
A	ASP141
A	HIS142
A	TRP143
A	LYS144
A	ASP169
A	ASN170
A	PRO174
A	GLU199
A	MG215
A	SAM216

---

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":"18486144","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	6
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18486144","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---