2HMN

Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Anthracene.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005506	molecular_function	iron ion binding
A	0018625	molecular_function	naphthalene 1,2-dioxygenase activity
A	0019439	biological_process	obsolete aromatic compound catabolic process
A	0044237	biological_process	cellular metabolic process
A	0046872	molecular_function	metal ion binding
A	0051213	molecular_function	dioxygenase activity
A	0051537	molecular_function	2 iron, 2 sulfur cluster binding
B	0006725	biological_process	obsolete cellular aromatic compound metabolic process
B	0019380	biological_process	3-phenylpropionate catabolic process
B	0019439	biological_process	obsolete aromatic compound catabolic process
B	0051213	molecular_function	dioxygenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE A 450

Chain	Residue
A	HIS208
A	HIS213
A	ASP362
A	HOH900

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 715

Chain	Residue
A	LEU128
A	ASN129
A	LYS130
A	LYS131
A	HOH975

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 720

Chain	Residue
B	GLN63
B	GLN65
B	HOH767
B	HOH781
B	HOH852
B	HOH885

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 721

Chain	Residue
B	GLY59
B	SER60
B	GLU167
B	LYS172

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 723

Chain	Residue
A	TRP439
A	HIS440
A	EDO711
A	HOH831
A	HOH937

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 724

Chain	Residue
A	ASP122
A	LEU123
A	GLY125

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FES A 725

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

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE AN3 A 701

Chain	Residue
A	ASN201
A	ASP205
A	VAL209
A	PHE224
A	ASN297
A	HOH900

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 702

Chain	Residue
A	GLU24
A	LYS374
A	EDO703
A	HOH755
A	HOH868

---

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 703

Chain	Residue
A	GLY22
A	GLN28
A	ARG379
A	EDO702
A	HOH742
A	HOH755
A	HOH843
A	HOH868

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 704

Chain	Residue
A	THR56
A	GLU92
A	PRO186
A	LYS188
A	HOH1004
B	GLU70
B	ARG183

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 705

Chain	Residue
A	VAL9
A	SER10
A	GLN421
A	GLU442
A	HOH825
A	HOH1038

---

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 706

Chain	Residue
A	ARG342
A	ASP346
A	HOH767
A	HOH891
A	HOH1014
B	ASN82

---

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 707

Chain	Residue
A	ALA36
A	PHE152
A	GLN377
A	EDO708
A	HOH807

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 708

Chain	Residue
A	LYS136
A	GLN377
A	EDO707
A	HOH735

---

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 709

Chain	Residue
A	HIS29
A	LYS32
A	EDO710

---

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 710

Chain	Residue
A	ASN4
A	HIS29
A	VAL424
A	SER426
A	SER427
A	EDO709

---

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 711

Chain	Residue
A	GLY164
A	ASP165
A	SO4723

---

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 712

Chain	Residue
A	HIS176
A	SER177
A	LYS276
A	ARG279
A	ASP335

---

site_id	CC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EDO A 713

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

---

site_id	CC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO A 714

Chain	Residue
A	HIS18
A	VAL80
A	CYS81
A	ARG82
A	SER381
A	ASP382
A	HOH734
A	HOH776
A	HOH786

---

site_id	CC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 716

Chain	Residue
B	TYR88
B	GLN102
B	MET191
B	VAL192
B	PHE193
B	HOH736
B	HOH739

---

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 717

Chain	Residue
B	ASN91
B	GLN94
B	HOH822

---

site_id	CC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO B 718

Chain	Residue
B	ARG138
B	ALA158
B	GLU160
B	PHE177
B	VAL178
B	ASP179
B	HOH746
B	HOH851

---

site_id	CC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 719

Chain	Residue
A	PRO49
A	ALA50
A	ASP53
A	HOH863
A	HOH1046
B	ARG78
B	TYR79
B	LYS80

---

site_id	CC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 722

Chain	Residue
A	PRO118
A	PHE119
A	HOH971

---

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	7
Details	BINDING: BINDING => ECO:0000269|PubMed:16980501, ECO:0000269|Ref.3, ECO:0007744|PDB:2HMJ, ECO:0007744|PDB:2HMK, ECO:0007744|PDB:2HML, ECO:0007744|PDB:2HMM, ECO:0007744|PDB:2HMN, ECO:0007744|PDB:2HMO, ECO:0007744|PDB:4HJL, ECO:0007744|PDB:4HKV, ECO:0007744|PDB:4HM0, ECO:0007744|PDB:4HM1, ECO:0007744|PDB:4HM2, ECO:0007744|PDB:4HM3, ECO:0007744|PDB:4HM4, ECO:0007744|PDB:4HM5, ECO:0007744|PDB:4HM6, ECO:0007744|PDB:4HM7, ECO:0007744|PDB:4HM8

Chain	Residue	Details
A	CYS81
A	CYS101
A	HIS104
A	HIS208
A	HIS213
A	ASP362
A	HIS83

---