2G5W

X-ray crystal structure of Arabidopsis thaliana 12-oxophytodienoate reductase isoform 3 (AtOPR3) in complex with 8-iso prostaglandin A1 and its cofactor, flavin mononucleotide.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005777	cellular_component	peroxisome
A	0006633	biological_process	fatty acid biosynthetic process
A	0009620	biological_process	response to fungus
A	0009695	biological_process	jasmonic acid biosynthetic process
A	0010181	molecular_function	FMN binding
A	0010193	biological_process	response to ozone
A	0016491	molecular_function	oxidoreductase activity
A	0016629	molecular_function	12-oxophytodienoate reductase activity
A	0031408	biological_process	oxylipin biosynthetic process
A	0048443	biological_process	stamen development
B	0005777	cellular_component	peroxisome
B	0006633	biological_process	fatty acid biosynthetic process
B	0009620	biological_process	response to fungus
B	0009695	biological_process	jasmonic acid biosynthetic process
B	0010181	molecular_function	FMN binding
B	0010193	biological_process	response to ozone
B	0016491	molecular_function	oxidoreductase activity
B	0016629	molecular_function	12-oxophytodienoate reductase activity
B	0031408	biological_process	oxylipin biosynthetic process
B	0048443	biological_process	stamen development

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	BINDING SITE FOR RESIDUE FMN A 401

Chain	Residue
A	ALA30
A	THR281
A	SER320
A	GLY321
A	GLY322
A	TYR342
A	GLY343
A	ARG344
A	PHE370
A	TYR371
A	8PG402
A	PRO31
A	HOH425
A	HOH454
A	MET32
A	THR33
A	GLY64
A	GLN106
A	HIS186
A	HIS189
A	ARG238

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 8PG A 402

Chain	Residue
A	HIS186
A	HIS189
A	TYR191
A	PRO283
A	ARG284
A	ARG367
A	TYR371
A	FMN401
A	HOH465
B	HIS286
B	TYR288

---

site_id	AC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE FMN B 403

Chain	Residue
B	ALA30
B	PRO31
B	MET32
B	THR33
B	GLY64
B	GLN106
B	HIS186
B	ARG238
B	THR281
B	SER320
B	GLY321
B	GLY322
B	TYR342
B	GLY343
B	ARG344
B	PHE370
B	TYR371
B	8PG404
B	HOH422

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 8PG B 404

Chain	Residue
B	HIS186
B	HIS189
B	TYR191
B	TYR371
B	FMN403

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: Proton donor => ECO:0000305|PubMed:21915915

Chain	Residue	Details
A	TYR191
B	TYR191

---

site_id	SWS_FT_FI2
Number of Residues	10
Details	BINDING: BINDING => ECO:0000269|PubMed:15468319, ECO:0000269|PubMed:17850744, ECO:0000269|PubMed:21915915, ECO:0007744|PDB:1Q45, ECO:0007744|PDB:2G5W, ECO:0007744|PDB:2Q3O

Chain	Residue	Details
A	PRO31
B	GLY343
A	GLN106
A	ARG238
A	SER320
A	GLY343
B	PRO31
B	GLN106
B	ARG238
B	SER320

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:15468319, ECO:0000269|PubMed:17850744, ECO:0007744|PDB:1Q45, ECO:0007744|PDB:2Q3O

Chain	Residue	Details
A	GLY64
B	GLY64

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:21915915, ECO:0007744|PDB:2G5W

Chain	Residue	Details
A	HIS186
A	ARG284
B	HIS186
B	ARG284

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: N-acetylmethionine => ECO:0000250|UniProtKB:Q8GYB8

Chain	Residue	Details
A	MET1
B	MET1

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	MOD_RES: N-acetylthreonine; in 12-oxophytodienoate reductase 3, N-terminally processed => ECO:0007744|PubMed:22223895

Chain	Residue	Details
A	THR2
B	THR2

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1oya

Chain	Residue	Details
A	HIS186
A	HIS189
A	TYR191

---

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1oya

Chain	Residue	Details
B	HIS186
B	HIS189
B	TYR191

---