6TPO

Conformation of cd1 nitrite reductase NirS without bound heme d1

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue 1PE A 901

Chain	Residue
A	ASN308
A	THR316
A	LYS354
A	ASP355
A	ARG356

---

site_id	AC2
Number of Residues	4
Details	binding site for residue BU3 A 902

Chain	Residue
A	HOH1072
A	HOH1072
A	HOH1082
A	HOH1082

---

site_id	AC3
Number of Residues	16
Details	binding site for residue HEC A 903

Chain	Residue
A	ARG46
A	CYS47
A	CYS50
A	HIS51
A	GLY60
A	LYS61
A	LEU63
A	ARG71
A	TYR75
A	THR84
A	LEU86
A	GLY87
A	MET88
A	PRO89
A	TRP91
A	HOH1074

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	BINDING: covalent => ECO:0000269|PubMed:9331415, ECO:0007744|PDB:1NIR

Chain	Residue	Details
A	CYS47
A	CYS50

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: axial binding residue => ECO:0000269|PubMed:9331415, ECO:0007744|PDB:1NIR

Chain	Residue	Details
A	HIS51
A	MET88

---

site_id	SWS_FT_FI3
Number of Residues	7
Details	BINDING: BINDING => ECO:0000269|PubMed:9331415, ECO:0007744|PDB:1NIR

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

---

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

Chain	Residue	Details
A	HIS182

---

Catalytic Information from CSA

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

---