1UUV

NAPHTHALENE 1,2-DIOXYGENASE WITH NITRIC OXIDE AND INDOLE BOUND IN THE ACTIVE SITE.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005506	molecular_function	iron ion binding
A	0005515	molecular_function	protein binding
A	0016491	molecular_function	oxidoreductase activity
A	0018625	molecular_function	naphthalene 1,2-dioxygenase activity
A	0046872	molecular_function	metal ion binding
A	0051213	molecular_function	dioxygenase activity
A	0051536	molecular_function	iron-sulfur cluster binding
A	0051537	molecular_function	2 iron, 2 sulfur cluster binding
B	0005515	molecular_function	protein binding
B	0016491	molecular_function	oxidoreductase activity
B	0019380	biological_process	3-phenylpropionate catabolic process
B	0051213	molecular_function	dioxygenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE A1454

Chain	Residue
A	ASN201
A	HIS208
A	HIS213
A	ASP362
A	NO1453

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B1697

Chain	Residue
B	HOH2148
B	HOH2149
B	GLN563
B	GLN565
B	HOH2045
B	HOH2065

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B1698

Chain	Residue
B	GLY559
B	SER560
B	LYS664
B	LYS672
B	HOH2150

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B1699

Chain	Residue
B	ARG665
B	ARG671
B	HOH2123

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FES A1448

Chain	Residue
A	CYS81
A	HIS83
A	ARG84
A	CYS101
A	TYR103
A	HIS104
A	TRP106

---

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EDO A1449

Chain	Residue
A	LEU31
A	PHE35
A	ALA36
A	MET59
A	GLY60
A	ILE61
A	ASP62
A	PHE152
A	TYR376
A	GLN377

---

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A1450

Chain	Residue
A	HIS18
A	VAL80
A	CYS81
A	ARG82
A	SER381
A	ASP382
A	HOH2311
A	HOH2312

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A1451

Chain	Residue
A	THR56
A	GLU92
A	PRO186
A	LYS188
A	TRP327
B	GLU570
B	ARG683

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IND A1452

Chain	Residue
A	ASN201
A	ASP205
A	HIS295
A	ASN297
A	NO1453

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NO A1453

Chain	Residue
A	HIS208
A	HIS213
A	IND1452
A	FE1454

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B1695

Chain	Residue
B	TYR588
B	MET691
B	VAL692
B	PHE693
B	HOH2145
B	HOH2146

---

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B1696

Chain	Residue
B	ASN591
B	GLN594
B	HOH2147

---

Functional Information from PROSITE/UniProt

site_id	PS00570
Number of Residues	24
Details	RING_HYDROXYL_ALPHA Bacterial ring hydroxylating dioxygenases alpha-subunit signature. CrHRGktlvsveaGNakgfvCsYH

Chain	Residue	Details
A	CYS81-HIS104

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	98
Details	Domain: {"description":"Rieske","evidences":[{"source":"PROSITE-ProRule","id":"PRU00628","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10669618","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12586937","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15942729","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9634695","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1EG9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NDO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7P","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1UUV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1UUW","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10669618","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12586937","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15942729","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9634695","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1EG9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NDO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7P","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O7W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1UUV","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Site: {"description":"Important for enantioselectivity","evidences":[{"source":"PubMed","id":"10692370","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

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

Chain	Residue	Details
A	HIS208
A	ASP205

---

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

Chain	Residue	Details
A	HIS104

---

site_id	MCSA1
Number of Residues	5
Details	M-CSA 130

Chain	Residue	Details
A	HIS104	single electron acceptor, single electron donor, single electron relay
A	ASP205	single electron acceptor, single electron donor, single electron relay
A	HIS208	metal ligand, single electron acceptor, single electron donor, single electron relay
A	HIS213	metal ligand
A	ASP362	metal ligand

---