3HLB

Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016740	molecular_function	transferase activity
A	0016746	molecular_function	acyltransferase activity
A	0016787	molecular_function	hydrolase activity
A	0017000	biological_process	antibiotic biosynthetic process
A	0030639	biological_process	polyketide biosynthetic process
A	0050832	biological_process	defense response to fungus
A	0140735	biological_process	lovastatin biosynthetic process
B	0016740	molecular_function	transferase activity
B	0016746	molecular_function	acyltransferase activity
B	0016787	molecular_function	hydrolase activity
B	0017000	biological_process	antibiotic biosynthetic process
B	0030639	biological_process	polyketide biosynthetic process
B	0050832	biological_process	defense response to fungus
B	0140735	biological_process	lovastatin biosynthetic process
C	0016740	molecular_function	transferase activity
C	0016746	molecular_function	acyltransferase activity
C	0016787	molecular_function	hydrolase activity
C	0017000	biological_process	antibiotic biosynthetic process
C	0030639	biological_process	polyketide biosynthetic process
C	0050832	biological_process	defense response to fungus
C	0140735	biological_process	lovastatin biosynthetic process
D	0016740	molecular_function	transferase activity
D	0016746	molecular_function	acyltransferase activity
D	0016787	molecular_function	hydrolase activity
D	0017000	biological_process	antibiotic biosynthetic process
D	0030639	biological_process	polyketide biosynthetic process
D	0050832	biological_process	defense response to fungus
D	0140735	biological_process	lovastatin biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 414

Chain	Residue
A	ARG260
B	HIS243
B	ARG244
B	ASN245
B	SER246
B	ARG252

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 414

Chain	Residue
C	ARG400
C	PRO332
C	MET333
C	ARG396

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 414

Chain	Residue
D	ALA75
D	SER76
D	GLY365
D	GLY366
D	GLU388

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 415

Chain	Residue
B	ALA75
B	SER76
B	GLY365
B	GLY366

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 414

Chain	Residue
A	ALA75
A	SER76
A	GLY365
A	GLY366
A	SO4416

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 416

Chain	Residue
B	PRO332
B	MET333
B	ARG396
B	ARG400

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 415

Chain	Residue
C	ALA75
C	SER76
C	GLY365
C	GLY366

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 415

Chain	Residue
D	HIS243
D	ARG244
D	ASN245
D	SER246
D	ARG252

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 416

Chain	Residue
C	HIS243
C	ARG244
C	ASN245
C	SER246
C	ARG252

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 416

Chain	Residue
D	PRO332
D	MET333
D	ARG396
D	ARG400

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 415

Chain	Residue
A	HIS243
A	ARG244
A	SER246
A	ARG252
B	SER256
B	ARG260

---

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 416

Chain	Residue
A	ARG73
A	ALA75
A	ARG260
A	ASP262
A	GLN270
A	GLY271
A	SO4414

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 417

Chain	Residue
A	PRO332
A	MET333
A	ARG396
A	ARG400

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Acyl-ester intermediate","evidences":[{"source":"PubMed","id":"17113998","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19875080","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	26
Details	Binding site: {}

Chain

Residue

Details

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