4K8E

OYE1-W116V complexed with the aromatic product of (R)-carvone dismutation

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003959	molecular_function	NADPH dehydrogenase activity
A	0005829	cellular_component	cytosol
A	0010181	molecular_function	FMN binding
A	0016491	molecular_function	oxidoreductase activity
A	0018548	molecular_function	pentaerythritol trinitrate reductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE FMN A 401

Chain	Residue
A	PRO34
A	PRO295
A	GLY324
A	ASN325
A	GLY347
A	ARG348
A	0WV404
A	CL406
A	HOH503
A	HOH504
A	HOH509
A	PRO35
A	HOH510
A	LEU36
A	THR37
A	GLY72
A	GLN114
A	HIS191
A	ASN194
A	ARG243

---

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

Chain	Residue
A	HOH1001
A	HOH1001
A	HOH1053
A	HOH1053
A	HOH1054
A	HOH1054
A	HOH1055
A	HOH1055

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 403

Chain	Residue
A	ASP83
A	ASN126

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 0WV A 404

Chain	Residue
A	THR37
A	TYR82
A	HIS191
A	ASN194
A	TYR196
A	TYR375
A	FMN401

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 405

Chain	Residue
A	HOH880
A	HOH1014
A	HOH1015
A	HOH1037
A	HOH1071
A	HOH1072

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 406

Chain	Residue
A	HIS191
A	ASN194
A	TYR196
A	FMN401

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PEG A 407

Chain	Residue
A	ASP370
A	HIS380
A	ASP384
A	HOH902
A	HOH912
A	HOH1100
A	HOH1142

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 408

Chain	Residue
A	TRP52
A	PGE415

---

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PGE A 409

Chain	Residue
A	GLN9
A	ALA10
A	HIS43
A	ASP83
A	ARG129
A	ARG334
A	LYS362
A	GLY363
A	NA410

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 410

Chain	Residue
A	GLN9
A	ALA10
A	PGE409

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 411

Chain	Residue
A	TYR375
A	PGE412
A	HOH939

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PGE A 412

Chain	Residue
A	PHE123
A	PHE296
A	TYR375
A	NA411

---

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 413

Chain	Residue
A	PGE414
A	HOH631

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PGE A 414

Chain	Residue
A	GLU305
A	GLY307
A	SER308
A	TYR313
A	ASP339
A	NA413
A	HOH993

---

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PGE A 415

Chain	Residue
A	ASP51
A	TRP52
A	ASP358
A	GLU389
A	NA408
A	HOH945

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton donor => ECO:0000305|PubMed:9830020

Chain	Residue	Details
A	TYR196

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:11668181, ECO:0000269|PubMed:7881908, ECO:0000269|PubMed:9830019

Chain	Residue	Details
A	THR37
A	GLN114
A	ARG243
A	ARG348

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	BINDING: BINDING => ECO:0000269|PubMed:11668181, ECO:0000269|PubMed:7881908

Chain	Residue	Details
A	HIS191
A	ASN194
A	TYR375

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 319

Chain	Residue	Details
A	THR37	electrostatic stabiliser, hydrogen bond donor
A	HIS191	electrostatic stabiliser, hydrogen bond donor
A	ASN194	electrostatic stabiliser, hydrogen bond donor
A	TYR196	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ASN251	hydrogen bond donor, increase acidity

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