2NSY

CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS IN COMPLEX WITH NAD-ADENYLATE

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 A 304

Chain	Residue
A	ASP50
A	GLU162
A	AMP300
A	HOH675
A	POP863

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 305

Chain	Residue
A	POP863
A	THR208
A	AMP300
A	HOH676
A	HOH677

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 306

Chain	Residue
B	THR208
B	AMP302
B	HOH679
B	HOH680
B	POP862

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 307

Chain	Residue
B	ASP50
B	GLU162
B	AMP302
B	HOH678
B	POP862

---

site_id	AC5
Number of Residues	24
Details	BINDING SITE FOR RESIDUE AMP A 300

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	ASP173
A	THR208
A	ALA209
A	NAD301
A	MG304
A	MG305
A	HOH331
A	HOH350
A	HOH382
A	HOH569
A	HOH675
A	HOH677
A	POP863

---

site_id	AC6
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NAD A 301

Chain	Residue
A	PHE129
A	ASN133
A	ARG137
A	PHE167
A	PHE168
A	THR169
A	LYS170
A	ASP173
A	ALA209
A	LEU211
A	GLU223
A	HIS257
A	LYS258
A	AMP300
A	HOH349
A	HOH389
A	HOH433
A	HOH448
A	HOH540
A	HOH569
A	HOH595
A	HOH835
B	TYR32
B	THR36
B	TYR144
B	LEU153
B	ASP177
B	HOH347
B	HOH468

---

site_id	AC7
Number of Residues	25
Details	BINDING SITE FOR RESIDUE AMP B 302

Chain	Residue
B	LEU43
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	NAD303
B	MG306
B	MG307
B	HOH339
B	HOH403
B	HOH486
B	HOH544
B	HOH586
B	HOH678
B	HOH680
B	POP862

---

site_id	AC8
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NAD B 303

Chain	Residue
A	THR36
A	TYR144
A	LEU153
A	ASP177
A	HOH424
A	HOH585
B	ASN133
B	ARG137
B	PHE167
B	PHE168
B	THR169
B	LYS170
B	ASP173
B	ALA209
B	LEU211
B	GLU223
B	HIS257
B	LYS258
B	AMP302
B	HOH418
B	HOH486
B	HOH499
B	HOH520
B	HOH530
B	HOH579
B	HOH586
B	HOH648
B	HOH811
B	HOH850
A	TYR32

---

site_id	AC9
Number of Residues	17
Details	BINDING SITE FOR RESIDUE POP B 862

Chain	Residue
B	SER46
B	GLY48
B	GLN49
B	ASP50
B	SER51
B	GLU162
B	LYS186
B	PRO207
B	THR208
B	AMP302
B	MG306
B	MG307
B	HOH359
B	HOH486
B	HOH678
B	HOH679
B	HOH680

---

site_id	BC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE POP A 863

Chain	Residue
A	SER46
A	GLY48
A	GLN49
A	ASP50
A	SER51
A	GLU162
A	LYS186
A	PRO207
A	THR208
A	AMP300
A	MG304
A	MG305
A	HOH311
A	HOH349
A	HOH675
A	HOH676
A	HOH677

---

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 308

Chain	Residue
A	ASP158
A	ALA163
A	PHE168
A	LYS258
A	ARG259
A	HOH800
A	HOH801
B	PRO262

---

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 309

Chain	Residue
A	PRO262
B	GLY174
B	LYS258
B	HOH332
B	HOH463
B	HOH607
B	HOH799

---

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	TYR32
B	TYR32

---

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	GLY44
A	LYS186
B	GLY44
B	LYS186

---

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	ASP50
A	GLU162
B	ASP50
B	GLU162

---

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	ARG78
A	GLN84
B	ARG78
B	GLN84

---

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	ARG137
A	LYS170
A	HIS257
B	ARG137
B	LYS170
B	HIS257

---

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	THR157
B	THR157

---

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	ASP177
B	ASP177

---

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	THR208
B	THR208

---

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	GLU223
B	GLU223

---

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	ASP50	metal ligand
B	GLU162	metal ligand

---