4HM3

Naphthalene 1,2-Dioxygenase bound to ethylbenzene

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005506	molecular_function	iron ion 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	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	10
Details	BINDING SITE FOR RESIDUE EDO A 1001

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

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO A 1002

Chain	Residue
A	HIS18
A	VAL80
A	CYS81
A	ARG82
A	SER381
A	ASP382
A	HOH1118
A	HOH1147
A	HOH1162

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 1003

Chain	Residue
A	LEU128
A	ASN129
A	LYS130
A	LYS131
A	HOH1484

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FES A 1004

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

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE A 1005

Chain	Residue
A	HIS208
A	HIS213
A	ASP362
A	HOH1307

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PYJ A 1006

Chain	Residue
A	ASN201
A	ASP205
A	VAL209
A	HIS295
A	ASN297

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EDO A 1007

Chain	Residue
A	PRO49
A	ALA50
A	ASP53
A	HOH1235
A	HOH1433
A	HOH1669
B	ARG77
B	TYR78
B	LYS79
B	LEU80

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1008

Chain	Residue
A	PRO118
A	PHE119
A	HOH1257
A	HOH1605

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1009

Chain	Residue
A	TRP439
A	HIS440
A	HOH1192
A	HOH1250
A	HOH1284
A	HOH1427

---

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 1001

Chain	Residue
B	TYR87
B	GLN101
B	MET190
B	VAL191
B	PHE192
B	HOH1110
B	HOH1124

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 1002

Chain	Residue
A	HOH1595
B	ASN90
B	GLN93
B	HOH1209

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO B 1003

Chain	Residue
B	ALA157
B	GLU159
B	PHE176
B	VAL177
B	ASP178
B	HOH1125
B	HOH1275
B	HOH1287

---

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 1004

Chain	Residue
B	GLN62
B	GLN64
B	HOH1161
B	HOH1199
B	HOH1249
B	HOH1258

---

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 1005

Chain	Residue
B	GLY58
B	SER59
B	GLU166
B	LYS171
B	HOH1324

---

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 1006

Chain	Residue
B	GLU82
B	ALA83
B	ASN85
B	HOH1243
B	HOH1253

---

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	7
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16980501","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"OCT-2012","submissionDatabase":"PDB data bank","title":"Naphthalene 1,2-Dioxygenase bound to thioanisole.","authors":["Ferraro D.J.","Ramaswamy S."]}},{"source":"PDB","id":"2HMJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HMK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HML","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HMM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HMN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HMO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HJL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HKV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HM8","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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