Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3DLA

X-ray crystal structure of glutamine-dependent NAD+ synthetase from Mycobacterium tuberculosis bound to NaAD+ and DON

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	0005886	cellular_component	plasma membrane
A	0008795	molecular_function	NAD+ synthase activity
A	0009274	cellular_component	peptidoglycan-based cell wall
A	0009435	biological_process	NAD+ biosynthetic process
A	0016874	molecular_function	ligase activity
A	0042802	molecular_function	identical protein 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	0005886	cellular_component	plasma membrane
B	0008795	molecular_function	NAD+ synthase activity
B	0009274	cellular_component	peptidoglycan-based cell wall
B	0009435	biological_process	NAD+ biosynthetic process
B	0016874	molecular_function	ligase activity
B	0042802	molecular_function	identical protein binding
C	0000166	molecular_function	nucleotide binding
C	0003952	molecular_function	NAD+ synthase (glutamine-hydrolyzing) activity
C	0004359	molecular_function	glutaminase activity
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0005886	cellular_component	plasma membrane
C	0008795	molecular_function	NAD+ synthase activity
C	0009274	cellular_component	peptidoglycan-based cell wall
C	0009435	biological_process	NAD+ biosynthetic process
C	0016874	molecular_function	ligase activity
C	0042802	molecular_function	identical protein binding
D	0000166	molecular_function	nucleotide binding
D	0003952	molecular_function	NAD+ synthase (glutamine-hydrolyzing) activity
D	0004359	molecular_function	glutaminase activity
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0005886	cellular_component	plasma membrane
D	0008795	molecular_function	NAD+ synthase activity
D	0009274	cellular_component	peptidoglycan-based cell wall
D	0009435	biological_process	NAD+ biosynthetic process
D	0016874	molecular_function	ligase activity
D	0042802	molecular_function	identical protein binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE NXX A 680

Chain	Residue
A	GLU485
A	SER661
A	HOH811
A	HOH937
A	HOH1074
A	HOH1127
D	ARG354
D	LEU358
D	ASN471
D	GLY475
D	ILE476
A	TRP490
D	HIS501
A	SER491
A	THR492
A	TYR493
A	ASP497
A	PHE631
A	PHE634
A	LYS635

site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE ONL A 801

Chain	Residue
A	HOH1021
A	HOH1128
B	PRO125
B	TYR127
B	ARG128
B	PHE130
B	CYS176
B	GLU177
B	MET179
B	PHE180
B	SER201
B	SER203
B	ARG209
B	ARG213
B	TYR230
D	MET286

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ONL A 802

Chain	Residue
A	HOH1015
C	LYS121
C	PRO125
C	TYR127
C	PHE130
C	CYS176
C	GLU177
C	PHE180
C	ARG209
C	HOH790

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ONL A 803

Chain	Residue
A	HOH1019
A	HOH1050
A	HOH1082
D	TYR127
D	PHE130
D	CYS176
D	GLU177
D	ARG209

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ONL A 800

Chain	Residue
A	TYR127
A	PHE130
A	CYS176
A	GLU177
A	PHE180
A	HOH1020
A	HOH1125

site_id	AC6
Number of Residues	20
Details	BINDING SITE FOR RESIDUE NXX B 680

Chain	Residue
B	TRP490
B	SER491
B	THR492
B	TYR493
B	ASP497
B	PHE631
B	PHE634
B	LYS635
B	SER661
B	HOH795
B	HOH802
B	HOH817
B	HOH912
C	ARG354
C	LEU358
C	ASN471
C	GLY475
C	ILE476
C	HIS501
C	HOH821

site_id	AC7
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NXX C 680

Chain	Residue
C	LYS635
C	SER661
C	HOH713
C	HOH838
C	HOH841
C	HOH858
C	HOH1032
B	ARG354
B	LEU358
B	ASN471
B	GLY475
B	HIS501
B	HOH841
B	HOH1007
C	VAL452
C	GLU455
C	ASN456
C	GLU485
C	TRP490
C	SER491
C	THR492
C	TYR493
C	ASP497
C	PHE631
C	PHE634

site_id	AC8
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NXX D 680

Chain	Residue
A	ARG354
A	LEU358
A	ASN471
A	GLY475
A	ILE476
A	HIS501
A	HOH1073
D	VAL452
D	GLU455
D	ASN456
D	TRP490
D	SER491
D	THR492
D	TYR493
D	ASP497
D	PHE631
D	PHE634
D	LYS635
D	SER661
D	HOH759
D	HOH827
D	HOH828
D	HOH845
D	HOH911
D	HOH978

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 804

Chain	Residue
A	THR145
A	HOH867
A	HOH968

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 805

Chain	Residue
A	TYR58
A	SER59
A	ILE60
A	GLU61
A	PHE130
A	TYR131
A	GLU132
A	GLN135

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 681

Chain	Residue
B	VAL367
B	SER368
B	PHE397
B	ALA398
B	LEU399
B	HOH1052

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 682

Chain	Residue
B	HIS99
B	ARG100
B	ILE146
B	ARG147

site_id	BC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 683

Chain	Residue
A	TYR127
A	ARG128
A	ARG285
A	LEU575
A	ASP656
B	ASP62
B	ARG134
B	HOH752
B	HOH921

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL B 684

Chain	Residue
B	ARG268
B	ARG269
B	HOH1047

site_id	BC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL C 681

Chain	Residue
C	ARG128
C	ARG285
C	LEU575
C	ASP656
C	HOH773
C	HOH865
C	HOH936
D	ASP62
D	ARG134

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 682

Chain	Residue
C	ALA27
C	ALA72
C	ASP75
C	ALA76
C	HOH805

site_id	BC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE GOL C 683

Chain	Residue
C	LEU124
C	PRO125
C	THR126
C	TYR127
C	ARG285
C	GLY287
C	THR288
C	ASP291
D	ARG102
D	ARG133
D	ARG134
D	HOH752
D	HOH943

site_id	BC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 684

Chain	Residue
C	TYR58
C	SER59
C	GLU61
C	PHE130
C	TYR131
C	GLU132
C	GLN135
C	HOH1022

site_id	CC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D 681

Chain	Residue
A	ASP62
A	LEU65
A	ARG134
A	HOH983
A	HOH1010
D	ARG285
D	LEU575
D	ASP656
D	HOH781

site_id	CC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 682

Chain	Residue
A	ARG133
A	ARG294
B	ARG133
B	PRO138
D	ASP291
D	ARG294
D	HOH1005

site_id	CC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D 683

Chain	Residue
C	ASP430
C	ARG433
C	LEU434
C	HIS437
D	ARG433
D	LEU434
D	HOH992
D	HOH1006
D	HOH1025

site_id	CC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL D 684

Chain	Residue
D	TYR58
D	SER59
D	ILE60
D	GLU61
D	PHE130
D	TYR131
D	GLU132
D	GLN135
D	HOH855
D	HOH1015

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL D 685

Chain	Residue
D	ARG268
D	ARG269
D	HOH1002

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1056
Details	Domain: {"description":"CN hydrolase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00054","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	76
Details	Region: {"description":"Disordered","evidences":[{"source":"SAM","id":"MobiDB-lite","evidenceCode":"ECO:0000256"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Active site: {"description":"Proton acceptor; for glutaminase activity","evidences":[{"source":"HAMAP-Rule","id":"MF_02090","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15748981","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"19270703","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Active site: {"description":"For glutaminase activity","evidences":[{"source":"HAMAP-Rule","id":"MF_02090","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15748981","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"19270703","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	4
Details	Active site: {"description":"Nucleophile; for glutaminase activity","evidences":[{"source":"HAMAP-Rule","id":"MF_02090","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15748981","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"19270703","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_02090","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"3SYT","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PDB","id":"3DLA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SEQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SEZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SYT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SZG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	28
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_02090","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"3SEQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SEZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SYT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SZG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	4
Details	Binding site: {"description":"in other chain","evidences":[{"source":"HAMAP-Rule","id":"MF_02090","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"3DLA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SEQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SEZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SZG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_02090","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"3SEQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SYT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SZG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	4
Details	Binding site: {"description":"in other chain","evidences":[{"source":"HAMAP-Rule","id":"MF_02090","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"3SEQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SEZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SYT","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	16
Details	Binding site: {"description":"in other chain","evidences":[{"source":"HAMAP-Rule","id":"MF_02090","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"3DLA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SEQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SEZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SYT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SZG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI13
Number of Residues	4
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PDB","id":"3DLA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SZG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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