1N15

FOLLOWING THE C HEME REDUCTION IN NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0009055	molecular_function	electron transfer activity
A	0016491	molecular_function	oxidoreductase activity
A	0020037	molecular_function	heme binding
A	0042597	cellular_component	periplasmic space
A	0046872	molecular_function	metal ion binding
A	0050418	molecular_function	hydroxylamine reductase activity
A	0050421	molecular_function	nitrite reductase (NO-forming) activity
B	0009055	molecular_function	electron transfer activity
B	0016491	molecular_function	oxidoreductase activity
B	0020037	molecular_function	heme binding
B	0042597	cellular_component	periplasmic space
B	0046872	molecular_function	metal ion binding
B	0050418	molecular_function	hydroxylamine reductase activity
B	0050421	molecular_function	nitrite reductase (NO-forming) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HEC A 601

Chain	Residue
A	HIS51
A	THR59
A	LEU63
A	ARG71
A	LEU79
A	ILE80
A	THR84
A	LEU86
A	GLY87
A	MET88
A	TRP91
B	GLU8
A	ARG46
A	CYS47
A	CYS50

---

site_id	AC2
Number of Residues	20
Details	BINDING SITE FOR RESIDUE DHE A 602

Chain	Residue
A	ARG156
A	HIS182
A	ILE183
A	ARG185
A	ARG198
A	ARG225
A	SER226
A	TYR245
A	ALA283
A	ALA284
A	ILE285
A	HIS327
A	ARG372
A	PHE425
A	PHE441
A	GLN483
A	GLY531
A	PHE533
B	TYR10
B	ALA13

---

site_id	AC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HEC B 601

Chain	Residue
B	ARG46
B	CYS47
B	CYS50
B	HIS51
B	THR59
B	LEU63
B	ARG71
B	LEU79
B	THR84
B	LEU86
B	GLY87
B	MET88
B	PRO89
B	TRP91

---

site_id	AC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE DHE B 602

Chain	Residue
A	TYR10
A	ALA13
B	ARG156
B	HIS182
B	ARG185
B	ARG198
B	ARG225
B	SER226
B	TYR245
B	ALA283
B	ALA284
B	ILE285
B	HIS327
B	ARG372
B	PHE425
B	GLN483
B	TRP498
B	GLY531
B	PHE533

---

site_id	NIA
Number of Residues	3
Details	ACTIVE SITE.

Chain	Residue
A	HIS327
A	HIS369
A	DHE602

---

site_id	NIB
Number of Residues	3
Details	ACTIVE SITE.

Chain	Residue
B	HIS327
B	HIS369
B	DHE602

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	BINDING: covalent => ECO:0000269|PubMed:9331415, ECO:0007744|PDB:1NIR

Chain	Residue	Details
A	CYS47
A	CYS50
B	CYS47
B	CYS50

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: axial binding residue => ECO:0000269|PubMed:9331415, ECO:0007744|PDB:1NIR

Chain	Residue	Details
A	HIS51
A	MET88
B	HIS51
B	MET88

---

site_id	SWS_FT_FI3
Number of Residues	14
Details	BINDING: BINDING => ECO:0000269|PubMed:9331415, ECO:0007744|PDB:1NIR

Chain	Residue	Details
A	ARG71
B	ARG225
B	SER226
B	TYR245
B	ARG372
B	GLN483
A	THR84
A	ARG225
A	SER226
A	TYR245
A	ARG372
A	GLN483
B	ARG71
B	THR84

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	BINDING: proximal binding residue => ECO:0000269|PubMed:9331415, ECO:0007744|PDB:1NIR

Chain	Residue	Details
A	HIS182
B	HIS182

---

Catalytic Information from CSA

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

Chain	Residue	Details
A	HIS369
A	HIS327

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1nir

Chain	Residue	Details
B	HIS369
B	HIS327

---

site_id	MCSA1
Number of Residues	6
Details	M-CSA 903

Chain	Residue	Details
A	CYS47	covalently attached
A	CYS50	covalently attached
A	HIS51	metal ligand
A	MET88	metal ligand
A	HIS327	electrostatic stabiliser
A	HIS369	electrostatic stabiliser

---

site_id	MCSA2
Number of Residues	6
Details	M-CSA 903

Chain	Residue	Details
B	CYS47	covalently attached
B	CYS50	covalently attached
B	HIS51	metal ligand
B	MET88	metal ligand
B	HIS327	electrostatic stabiliser
B	HIS369	electrostatic stabiliser

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