Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1KQP

NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS AT 1 A RESOLUTION

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 5001

Chain	Residue
A	ASP50
A	GLU162
A	ADJ3001
A	POP4001
A	HOH6037

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 5002

Chain	Residue
A	HOH6234
A	THR208
A	ADJ3001
A	POP4001
A	HOH6075

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 5003

Chain	Residue
B	THR208
B	ADJ3002
B	POP4002
B	HOH6039
B	HOH6043

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 5004

Chain	Residue
B	ASP50
B	GLU162
B	ADJ3002
B	POP4002
B	HOH6019

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 5005

Chain	Residue
B	ASP124
B	HOH6061
B	HOH6073
B	HOH6122
B	HOH6149
B	HOH6156

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 2001

Chain	Residue
A	GLY225
A	GLU230
A	LYS243
A	EDO2002
A	HOH6337
B	HOH6188

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 2002

Chain	Residue
A	GLU221
A	GLY225
A	ILE226
A	GLU230
A	EDO2001
A	HOH6402
B	HOH6073
B	HOH6218

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 2003

Chain	Residue
A	HOH6402
B	GLY123
B	LYS194
B	GLU195
B	HOH6137
B	HOH6471

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 2004

Chain	Residue
B	ARG56
B	PHE96
B	LYS98
B	HOH6573
B	HOH6596

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO B 2005

Chain	Residue
A	HOH6612
B	GLU23
B	VAL26
B	ASN27
B	SER64
B	EDO2006
B	HOH6233
B	HOH6489

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 2006

Chain	Residue
A	GLN91
B	LYS30
B	SER64
B	GLU67
B	GLU68
B	EDO2005

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 2007

Chain	Residue
A	GLU121
A	HOH6116
B	TRP103
B	LYS104

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 2008

Chain	Residue
A	PRO262
A	HOH6031
A	HOH6298
A	HOH6354
B	ASP158
B	PHE168
B	GLY174

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 2009

Chain	Residue
A	LEU179
A	HOH6428
B	VAL261
B	PRO262
B	SER264
B	ASP267
B	HOH6325

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 2010

Chain	Residue
B	ARG56
B	GLN59
B	GLU63
B	LYS98

site_id	BC7
Number of Residues	51
Details	BINDING SITE FOR RESIDUE ADJ A 3001

Chain	Residue
A	THR157
A	GLU162
A	PHE167
A	PHE168
A	THR169
A	LYS170
A	ASP173
A	THR208
A	ALA209
A	LEU211
A	GLU223
A	HIS257
A	LYS258
A	POP4001
A	MG5001
A	MG5002
A	HOH6001
A	HOH6002
A	HOH6005
A	HOH6037
A	HOH6098
A	HOH6181
A	HOH6184
A	HOH6204
A	HOH6216
A	HOH6234
A	HOH6235
A	HOH6271
A	HOH6452
A	HOH6595
A	HOH6621
A	HOH6631
B	TYR32
B	THR36
B	TYR144
B	LEU153
B	ASP177
B	HOH6093
B	HOH6359
A	LEU43
A	GLY44
A	ILE45
A	SER46
A	SER51
A	ARG78
A	LEU79
A	GLN84
A	PHE129
A	ASN133
A	ARG137
A	ARG139

site_id	BC8
Number of Residues	50
Details	BINDING SITE FOR RESIDUE ADJ B 3002

Chain	Residue
A	TYR32
A	THR36
A	TYR144
A	LEU153
A	ASP177
A	HOH6135
B	LEU43
B	GLY44
B	ILE45
B	SER46
B	SER51
B	ARG78
B	LEU79
B	GLN84
B	ASN133
B	ARG137
B	ARG139
B	THR157
B	GLU162
B	PHE167
B	PHE168
B	THR169
B	LYS170
B	ASP173
B	THR208
B	ALA209
B	LEU211
B	GLU223
B	HIS257
B	LYS258
B	POP4002
B	MG5003
B	MG5004
B	HOH6003
B	HOH6004
B	HOH6006
B	HOH6019
B	HOH6039
B	HOH6136
B	HOH6178
B	HOH6200
B	HOH6214
B	HOH6295
B	HOH6339
B	HOH6435
B	HOH6580
B	HOH6583
B	HOH6634
B	HOH6667
B	HOH6708

site_id	BC9
Number of Residues	17
Details	BINDING SITE FOR RESIDUE POP A 4001

Chain	Residue
A	SER46
A	GLY48
A	GLN49
A	ASP50
A	SER51
A	GLU162
A	LYS186
A	PRO207
A	THR208
A	ADJ3001
A	MG5001
A	MG5002
A	HOH6005
A	HOH6037
A	HOH6041
A	HOH6075
A	HOH6234

site_id	CC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE POP B 4002

Chain	Residue
B	SER46
B	GLY48
B	GLN49
B	ASP50
B	SER51
B	GLU162
B	LYS186
B	PRO207
B	THR208
B	ADJ3002
B	MG5003
B	MG5004
B	HOH6006
B	HOH6015
B	HOH6019
B	HOH6039
B	HOH6043

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	4
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	2
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	2
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	ASP50	metal ligand
B	GLU162	metal ligand

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)