3BWY

Crystal Structure of Human 108M Catechol O-methyltransferase bound with S-adenosylmethionine and inhibitor 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	4
Details	BINDING SITE FOR RESIDUE MG A 300

Chain	Residue
A	ASP141
A	ASP169
A	ASN170
A	HOH412

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site_id	AC2
Number of Residues	19
Details	BINDING SITE FOR RESIDUE SAM A 301

Chain	Residue
A	SER72
A	ILE89
A	GLU90
A	ILE91
A	GLY117
A	ALA118
A	SER119
A	GLN120
A	ASP141
A	HIS142
A	TRP143
A	HOH402
A	HOH445
A	HOH465
A	MET40
A	GLY66
A	ALA67
A	TYR68
A	TYR71

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE DNC A 302

Chain	Residue
A	TRP38
A	ASP141
A	HIS142
A	TRP143
A	LYS144
A	ASP169
A	ASN170
A	GLU199
A	HOH412
A	HOH446

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MPD A 303

Chain	Residue
A	ASN21
A	SER24
A	ALA52
A	GLU56
A	TYR194
A	HOH458

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MPD A 304

Chain	Residue
A	THR4
A	GLU6
A	ASP94
A	ASP136
A	ARG161
A	HOH424
A	HOH558

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MPD A 305

Chain	Residue
A	GLN7
A	ASP94
A	ALA97
A	LYS162
A	HOH530

---

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

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1vid

Chain	Residue	Details
A	GLU199
A	LYS144

---