2HMJ

Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant.

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	5
Details	BINDING SITE FOR RESIDUE FE A 450

Chain	Residue
A	HIS208
A	HIS213
A	ASP362
A	EDO818
A	HOH1085

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 903

Chain	Residue
A	HOH1274
A	LEU128
A	ASN129
A	LYS130
A	LYS131

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 908

Chain	Residue
B	GLN63
B	GLN65
B	HOH967
B	HOH992
B	HOH1037
B	HOH1047

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 909

Chain	Residue
B	GLY59
B	SER60
B	GLU167
B	LYS172

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 912

Chain	Residue
A	TRP439
A	HIS440
A	HOH1018
A	HOH1070

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FES A 913

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

---

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 801

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

---

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 802

Chain	Residue
A	HIS18
A	VAL80
A	CYS81
A	ARG82
A	SER381
A	ASP382
A	HOH923
A	HOH966

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 804

Chain	Residue
A	GLU137
A	ALA139
A	HOH1356

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 805

Chain	Residue
A	HOH1320
B	ASN91
B	GLN94
B	HOH950
B	HOH1014

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 806

Chain	Residue
B	ARG138
B	ALA158
B	GLU160
B	PHE177
B	VAL178
B	ASP179
B	HOH936

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 807

Chain	Residue
A	PRO49
A	ALA50
A	ASP53
A	HOH1035
A	HOH1259
B	ARG78
B	TYR79
B	LYS80

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 810

Chain	Residue
A	PRO118
A	PHE119
A	HOH1068
A	HOH1319

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 811

Chain	Residue
B	GLU83
B	ALA84
B	HOH1106

---

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 813

Chain	Residue
B	TYR88
B	GLN102
B	MET191
B	VAL192
B	PHE193
B	HOH928
B	HOH937

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 814

Chain	Residue
A	LYS136
A	GLN377
A	HOH949
A	HOH1357
A	HOH1362

---

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 815

Chain	Residue
A	ASP396
A	ALA397
A	VAL398
A	PRO400
A	HIS440
A	HOH937
A	HOH1018

---

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 816

Chain	Residue
B	ASN82
B	HOH1106
A	ARG342
A	ASP346
A	HOH943
A	HOH1079

---

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 817

Chain	Residue
B	LEU10
B	SER12
B	LYS113

---

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 818

Chain	Residue
A	HIS208
A	HIS213
A	FE450
A	HOH1085
A	HOH1222

---

site_id	CC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO A 819

Chain	Residue
A	VAL55
A	THR56
A	GLU92
A	PRO186
A	LYS188
A	TRP327
A	HOH1016
A	HOH1107
A	HOH1199

---

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 820

Chain	Residue
A	VAL9
A	SER10
A	GLU11
A	GLU442
A	HOH980
A	HOH1312

---

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

---

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

---