1NSY

CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS

Functional Information from GO Data

Chain	GOid	namespace	contents
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	0030435	biological_process	sporulation resulting in formation of a cellular spore
A	0046872	molecular_function	metal ion 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	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 B 6240

Chain	Residue
B	ASP50
B	GLU162
B	AMP5000
B	HOH6216
B	POP7000

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 6241

Chain	Residue
A	HOH6080
A	ASP50
A	GLU162
A	AMP4000
A	POP6000

---

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE ATP B 2000

Chain	Residue
A	TYR32
A	THR36
A	TYR144
A	LEU153
A	ASP177
B	PHE129
B	ASN133
B	ARG137
B	PHE168
B	THR169
B	LYS170
B	HIS257
B	LYS258
B	HOH6098
B	HOH6172
B	HOH6228

---

site_id	AC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE ATP A 3000

Chain	Residue
A	PHE129
A	ASN133
A	ARG137
A	PHE168
A	THR169
A	LYS170
A	HIS257
A	LYS258
A	HOH6158
A	HOH6202
A	HOH6231
B	TYR32
B	THR36
B	TYR144
B	LEU153
B	ASP177
B	HOH6071

---

site_id	AC5
Number of Residues	21
Details	BINDING SITE FOR RESIDUE AMP B 5000

Chain	Residue
B	GLY44
B	ILE45
B	SER46
B	SER51
B	ARG78
B	LEU79
B	GLN84
B	ARG139
B	THR157
B	GLU162
B	ASP173
B	THR208
B	ALA209
B	HOH6044
B	HOH6045
B	HOH6059
B	HOH6120
B	HOH6169
B	HOH6216
B	MG6240
B	POP7000

---

site_id	AC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE POP B 7000

Chain	Residue
B	SER46
B	GLY48
B	GLN49
B	ASP50
B	SER51
B	GLU162
B	LYS186
B	PRO207
B	THR208
B	AMP5000
B	HOH6013
B	HOH6120
B	HOH6216
B	MG6240

---

site_id	AC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE AMP A 4000

Chain	Residue
A	LEU43
A	GLY44
A	ILE45
A	SER46
A	SER51
A	ARG78
A	LEU79
A	GLN84
A	ARG139
A	THR157
A	GLU162
A	THR208
A	ALA209
A	POP6000
A	HOH6012
A	HOH6023
A	HOH6223
A	MG6241

---

site_id	AC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE POP A 6000

Chain	Residue
A	ASP50
A	SER51
A	GLU162
A	LYS186
A	PRO207
A	THR208
A	AMP4000
A	HOH6019
A	MG6241
A	SER46
A	GLY48
A	GLN49

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	BINDING: BINDING => ECO:0007744|PDB:1EE1, ECO:0007744|PDB:1IFX, ECO:0007744|PDB:1KQP, ECO:0007744|PDB:2NSY

Chain	Residue	Details
A	VAL33
B	VAL33

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00193, ECO:0007744|PDB:1EE1, ECO:0007744|PDB:1FYD, ECO:0007744|PDB:1IH8, ECO:0007744|PDB:1KQP, ECO:0007744|PDB:1NSY, ECO:0007744|PDB:2NSY

Chain	Residue	Details
A	ILE45
A	ARG187
B	ILE45
B	ARG187

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00193, ECO:0007744|PDB:1KQP, ECO:0007744|PDB:1NSY, ECO:0007744|PDB:2NSY

Chain	Residue	Details
A	SER51
A	ALA163
B	SER51
B	ALA163

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	BINDING: BINDING => ECO:0007744|PDB:1EE1, ECO:0007744|PDB:1FYD, ECO:0007744|PDB:1IH8, ECO:0007744|PDB:1KQP, ECO:0007744|PDB:1NSY, ECO:0007744|PDB:2NSY

Chain	Residue	Details
A	LEU79
A	GLN85
B	LEU79
B	GLN85

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	BINDING: in other chain => ECO:0000255|HAMAP-Rule:MF_00193, ECO:0007744|PDB:1EE1, ECO:0007744|PDB:1IFX, ECO:0007744|PDB:1KQP, ECO:0007744|PDB:2NSY

Chain	Residue	Details
A	THR138
A	TYR171
A	LYS258
B	THR138
B	TYR171
B	LYS258

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00193, ECO:0007744|PDB:1EE1, ECO:0007744|PDB:1KQP, ECO:0007744|PDB:1NSY, ECO:0007744|PDB:2NSY

Chain	Residue	Details
A	ASP158
B	ASP158

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00193, ECO:0007744|PDB:1EE1, ECO:0007744|PDB:1IFX, ECO:0007744|PDB:1KQP, ECO:0007744|PDB:2NSY

Chain	Residue	Details
A	LEU178
B	LEU178

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00193, ECO:0007744|PDB:1EE1, ECO:0007744|PDB:1FYD, ECO:0007744|PDB:1IH8, ECO:0007744|PDB:1NSY, ECO:0007744|PDB:2NSY

Chain	Residue	Details
A	ALA209
B	ALA209

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	BINDING: in other chain => ECO:0007744|PDB:1EE1, ECO:0007744|PDB:1KQP, ECO:0007744|PDB:2NSY

Chain	Residue	Details
A	LEU224
B	LEU224

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	2
Details	M-CSA 200

Chain	Residue	Details
A	SER51	metal ligand
A	ALA163	metal ligand

---

site_id	MCSA2
Number of Residues	2
Details	M-CSA 200

Chain	Residue	Details
B	SER51	metal ligand
B	ALA163	metal ligand

---