1FYD

CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH ONE MOLECULE AMP, ONE PYROPHOSPHATE ION AND ONE MG2+ ION

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003952	molecular_function	NAD+ synthase (glutamine-hydrolyzing) activity
A	0004359	molecular_function	glutaminase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0008795	molecular_function	NAD+ synthase activity
A	0009435	biological_process	NAD+ biosynthetic process
A	0016874	molecular_function	ligase activity
A	0016879	molecular_function	ligase activity, forming carbon-nitrogen bonds
A	0030435	biological_process	sporulation resulting in formation of a cellular spore
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0003952	molecular_function	NAD+ synthase (glutamine-hydrolyzing) activity
B	0004359	molecular_function	glutaminase activity
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0008795	molecular_function	NAD+ synthase activity
B	0009435	biological_process	NAD+ biosynthetic process
B	0016874	molecular_function	ligase activity
B	0016879	molecular_function	ligase activity, forming carbon-nitrogen bonds
B	0030435	biological_process	sporulation resulting in formation of a cellular spore
B	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 2500

Chain	Residue
A	THR208
A	HOH2186
A	HOH2187
A	AMP4000
A	POP5000

---

site_id	AC2
Number of Residues	19
Details	BINDING SITE FOR RESIDUE AMP A 4000

Chain	Residue
A	SER51
A	ARG78
A	LEU79
A	GLN84
A	THR157
A	THR208
A	ALA209
A	HOH2037
A	HOH2047
A	HOH2107
A	HOH2111
A	HOH2181
A	HOH2186
A	MG2500
A	POP5000
A	LEU43
A	GLY44
A	ILE45
A	SER46

---

site_id	AC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE POP A 5000

Chain	Residue
A	SER46
A	GLY48
A	GLN49
A	ASP50
A	SER51
A	LYS186
A	PRO207
A	THR208
A	HOH2027
A	HOH2119
A	HOH2181
A	HOH2186
A	MG2500
A	AMP4000

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PDB","id":"1EE1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IFX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NSY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00193","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"1EE1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FYD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IH8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NSY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NSY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00193","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"1KQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NSY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NSY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PDB","id":"1EE1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FYD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IH8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NSY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NSY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	Binding site: {"description":"in other chain","evidences":[{"source":"HAMAP-Rule","id":"MF_00193","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"1EE1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IFX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NSY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00193","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"1EE1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NSY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NSY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00193","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"1EE1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IFX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NSY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00193","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"1EE1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FYD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IH8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NSY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NSY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	1
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PDB","id":"1EE1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1KQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NSY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	2
Details	M-CSA 200

Chain	Residue	Details
A	ASP50	metal ligand
A	GLU162	metal ligand

---

site_id	MCSA2
Number of Residues	2
Details	M-CSA 200

Chain	Residue	Details
B	ASP1050	metal ligand
B	GLU1162	metal ligand

---