Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3N8K

Type II dehydroquinase from Mycobacterium tuberculosis complexed with citrazinic acid

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003855	molecular_function	3-dehydroquinate dehydratase activity
A	0005829	cellular_component	cytosol
A	0009423	biological_process	chorismate biosynthetic process
A	0019631	biological_process	quinate catabolic process
B	0003855	molecular_function	3-dehydroquinate dehydratase activity
B	0005829	cellular_component	cytosol
B	0009423	biological_process	chorismate biosynthetic process
B	0019631	biological_process	quinate catabolic process
C	0003855	molecular_function	3-dehydroquinate dehydratase activity
C	0005829	cellular_component	cytosol
C	0009423	biological_process	chorismate biosynthetic process
C	0019631	biological_process	quinate catabolic process
D	0003855	molecular_function	3-dehydroquinate dehydratase activity
D	0005829	cellular_component	cytosol
D	0009423	biological_process	chorismate biosynthetic process
D	0019631	biological_process	quinate catabolic process
E	0003855	molecular_function	3-dehydroquinate dehydratase activity
E	0005829	cellular_component	cytosol
E	0009423	biological_process	chorismate biosynthetic process
E	0019631	biological_process	quinate catabolic process
F	0003855	molecular_function	3-dehydroquinate dehydratase activity
F	0005829	cellular_component	cytosol
F	0009423	biological_process	chorismate biosynthetic process
F	0019631	biological_process	quinate catabolic process
G	0003855	molecular_function	3-dehydroquinate dehydratase activity
G	0005829	cellular_component	cytosol
G	0009423	biological_process	chorismate biosynthetic process
G	0019631	biological_process	quinate catabolic process
H	0003855	molecular_function	3-dehydroquinate dehydratase activity
H	0005829	cellular_component	cytosol
H	0009423	biological_process	chorismate biosynthetic process
H	0019631	biological_process	quinate catabolic process
I	0003855	molecular_function	3-dehydroquinate dehydratase activity
I	0005829	cellular_component	cytosol
I	0009423	biological_process	chorismate biosynthetic process
I	0019631	biological_process	quinate catabolic process
J	0003855	molecular_function	3-dehydroquinate dehydratase activity
J	0005829	cellular_component	cytosol
J	0009423	biological_process	chorismate biosynthetic process
J	0019631	biological_process	quinate catabolic process
K	0003855	molecular_function	3-dehydroquinate dehydratase activity
K	0005829	cellular_component	cytosol
K	0009423	biological_process	chorismate biosynthetic process
K	0019631	biological_process	quinate catabolic process
L	0003855	molecular_function	3-dehydroquinate dehydratase activity
L	0005829	cellular_component	cytosol
L	0009423	biological_process	chorismate biosynthetic process
L	0019631	biological_process	quinate catabolic process
M	0003855	molecular_function	3-dehydroquinate dehydratase activity
M	0005829	cellular_component	cytosol
M	0009423	biological_process	chorismate biosynthetic process
M	0019631	biological_process	quinate catabolic process
N	0003855	molecular_function	3-dehydroquinate dehydratase activity
N	0005829	cellular_component	cytosol
N	0009423	biological_process	chorismate biosynthetic process
N	0019631	biological_process	quinate catabolic process
O	0003855	molecular_function	3-dehydroquinate dehydratase activity
O	0005829	cellular_component	cytosol
O	0009423	biological_process	chorismate biosynthetic process
O	0019631	biological_process	quinate catabolic process
P	0003855	molecular_function	3-dehydroquinate dehydratase activity
P	0005829	cellular_component	cytosol
P	0009423	biological_process	chorismate biosynthetic process
P	0019631	biological_process	quinate catabolic process
Q	0003855	molecular_function	3-dehydroquinate dehydratase activity
Q	0005829	cellular_component	cytosol
Q	0009423	biological_process	chorismate biosynthetic process
Q	0019631	biological_process	quinate catabolic process
R	0003855	molecular_function	3-dehydroquinate dehydratase activity
R	0005829	cellular_component	cytosol
R	0009423	biological_process	chorismate biosynthetic process
R	0019631	biological_process	quinate catabolic process
S	0003855	molecular_function	3-dehydroquinate dehydratase activity
S	0005829	cellular_component	cytosol
S	0009423	biological_process	chorismate biosynthetic process
S	0019631	biological_process	quinate catabolic process
T	0003855	molecular_function	3-dehydroquinate dehydratase activity
T	0005829	cellular_component	cytosol
T	0009423	biological_process	chorismate biosynthetic process
T	0019631	biological_process	quinate catabolic process
U	0003855	molecular_function	3-dehydroquinate dehydratase activity
U	0005829	cellular_component	cytosol
U	0009423	biological_process	chorismate biosynthetic process
U	0019631	biological_process	quinate catabolic process
V	0003855	molecular_function	3-dehydroquinate dehydratase activity
V	0005829	cellular_component	cytosol
V	0009423	biological_process	chorismate biosynthetic process
V	0019631	biological_process	quinate catabolic process
W	0003855	molecular_function	3-dehydroquinate dehydratase activity
W	0005829	cellular_component	cytosol
W	0009423	biological_process	chorismate biosynthetic process
W	0019631	biological_process	quinate catabolic process
X	0003855	molecular_function	3-dehydroquinate dehydratase activity
X	0005829	cellular_component	cytosol
X	0009423	biological_process	chorismate biosynthetic process
X	0019631	biological_process	quinate catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X A 147

Chain	Residue
A	ARG19
A	ARG112
A	HOH267
L	ASP88
A	TYR24
A	ASN75
A	GLY77
A	GLY78
A	HIS81
A	HIS101
A	ILE102
A	SER103

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 148

Chain	Residue
A	HIS106
G	HIS106
G	HOH255

site_id	AC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X B 147

Chain	Residue
B	ARG19
B	TYR24
B	ASN75
B	GLY77
B	GLY78
B	HIS81
B	HIS101
B	ILE102
B	SER103
B	ARG112
B	HOH1502
E	ASP88

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 148

Chain	Residue
B	HIS106
F	HIS106

site_id	AC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE D1X C 147

Chain	Residue
B	ASP88
B	HOH152
C	PRO11
C	ARG19
C	TYR24
C	ASN75
C	GLY77
C	GLY78
C	HIS81
C	HIS101
C	ILE102
C	SER103
C	ARG112

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 148

Chain	Residue
C	HIS106
C	HOH415
H	HIS106

site_id	AC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL C 149

Chain	Residue
C	ALA95

site_id	AC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL C 150

Chain	Residue
C	HOH151

site_id	AC9
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X D 147

Chain	Residue
D	ARG19
D	TYR24
D	ASN75
D	GLY77
D	GLY78
D	HIS81
D	HIS101
D	ILE102
D	SER103
D	ARG112
D	HOH155
G	ASP88

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL D 148

Chain	Residue
D	HIS106
I	HIS106
I	HOH1535

site_id	BC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL D 149

Chain	Residue
D	HOH1036

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL D 150

Chain	Residue
D	ALA95
D	THR122

site_id	BC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X E 147

Chain	Residue
C	ASP88
C	HOH250
E	ARG19
E	TYR24
E	ASN75
E	GLY77
E	GLY78
E	HIS81
E	HIS101
E	ILE102
E	SER103
E	ARG112

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL E 148

Chain	Residue
E	HIS106
K	HIS106
K	HOH1526

site_id	BC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL E 149

Chain	Residue
E	ALA95

site_id	BC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X F 147

Chain	Residue
D	ASP88
F	ARG19
F	TYR24
F	ASN75
F	GLY77
F	GLY78
F	HIS81
F	HIS101
F	ILE102
F	SER103
F	ARG112
F	HOH155

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL F 148

Chain	Residue
F	THR122
F	HOH1552

site_id	BC9
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X G 147

Chain	Residue
G	ASN75
G	GLY77
G	GLY78
G	HIS81
G	HIS101
G	ILE102
G	SER103
G	ARG112
F	ASP88
F	HOH159
G	ARG19
G	TYR24

site_id	CC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X H 147

Chain	Residue
H	ARG19
H	TYR24
H	ASN75
H	GLY77
H	GLY78
H	HIS81
H	HIS101
H	ILE102
H	SER103
H	ARG112
H	HOH150
J	ASP88

site_id	CC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL H 148

Chain	Residue
H	ALA95
H	THR122

site_id	CC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE D1X I 147

Chain	Residue
H	ASP88
I	PRO11
I	ARG19
I	TYR24
I	ASN75
I	GLY77
I	GLY78
I	HIS81
I	HIS101
I	ILE102
I	SER103
I	ARG112
I	HOH1503

site_id	CC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL I 148

Chain	Residue
I	TYR24
I	HOH1551

site_id	CC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X J 147

Chain	Residue
I	ASP88
J	ARG19
J	TYR24
J	ASN75
J	GLY77
J	GLY78
J	HIS81
J	HIS101
J	ILE102
J	SER103
J	ARG112
J	HOH1504

site_id	CC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL J 148

Chain	Residue
J	HIS106
L	HIS106

site_id	CC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL J 149

Chain	Residue
J	VAL23

site_id	CC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X K 147

Chain	Residue
A	ASP88
A	HOH173
K	ARG19
K	TYR24
K	ASN75
K	GLY77
K	GLY78
K	HIS81
K	HIS101
K	ILE102
K	SER103
K	ARG112

site_id	CC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL K 148

Chain	Residue
K	VAL23
K	HOH1174

site_id	DC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL K 149

Chain	Residue
K	THR122

site_id	DC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE D1X L 147

Chain	Residue
K	ASP88
L	PRO11
L	ARG19
L	TYR24
L	ASN75
L	GLY77
L	GLY78
L	HIS81
L	HIS101
L	ILE102
L	SER103
L	ARG112
L	HOH1505

site_id	DC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL L 148

Chain	Residue
L	ALA95

site_id	DC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL L 149

Chain	Residue
L	VAL23

site_id	DC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL M 147

Chain	Residue
M	HIS106
S	HIS106

site_id	DC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE D1X N 147

Chain	Residue
N	ARG19
N	TYR24
N	ASN75
N	GLY77
N	GLY78
N	HIS81
N	ILE102
N	SER103
N	ARG112
N	HOH1574

site_id	DC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL N 148

Chain	Residue
N	HIS106
R	HIS106
R	HOH1556

site_id	DC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE D1X O 147

Chain	Residue
N	ASP88
O	ARG19
O	TYR24
O	ASN75
O	GLY77
O	HIS81
O	HIS101
O	ILE102
O	SER103
O	ARG112
O	HOH1547

site_id	DC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL O 148

Chain	Residue
O	HIS106
O	HOH1561
T	HIS106
T	HOH1558

site_id	EC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X P 147

Chain	Residue
P	ARG19
P	TYR24
P	ASN75
P	GLY77
P	GLY78
P	HIS81
P	HIS101
P	ILE102
P	SER103
P	ARG112
P	HOH154
S	ASP88

site_id	EC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL P 148

Chain	Residue
P	HIS106
P	HOH777
U	HIS106

site_id	EC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE D1X M 150

Chain	Residue
M	ARG19
M	TYR24
M	ASN75
M	GLY77
M	HIS81
M	HIS101
M	ILE102
M	SER103
M	ARG112
X	ASP88
X	HOH391

site_id	EC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL Q 147

Chain	Residue
Q	HIS106
W	HIS106

site_id	EC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X R 147

Chain	Residue
P	ASP88
P	HOH1507
R	ARG19
R	TYR24
R	ASN75
R	GLY77
R	GLY78
R	HIS81
R	HIS101
R	ILE102
R	SER103
R	ARG112

site_id	EC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X S 147

Chain	Residue
R	ASP88
S	ARG19
S	TYR24
S	ASN75
S	GLY77
S	GLY78
S	HIS81
S	HIS101
S	ILE102
S	SER103
S	ARG112
S	HOH154

site_id	EC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL S 148

Chain	Residue
S	GLY14
S	HOH180
S	HOH1264
S	HOH1461

site_id	EC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X T 147

Chain	Residue
T	ARG19
T	TYR24
T	ASN75
T	GLY77
T	HIS81
T	HIS101
T	ILE102
T	SER103
T	VAL105
T	ARG112
V	ASP88
V	HOH395

site_id	EC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE D1X U 147

Chain	Residue
T	ASP88
T	HOH1508
U	ARG19
U	TYR24
U	ASN75
U	GLY77
U	HIS81
U	HIS101
U	ILE102
U	SER103
U	ARG112

site_id	FC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X V 147

Chain	Residue
U	ASP88
V	ARG19
V	TYR24
V	ASN75
V	GLY77
V	GLY78
V	HIS81
V	HIS101
V	ILE102
V	SER103
V	ARG112
V	HOH1548

site_id	FC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL V 148

Chain	Residue
V	HIS106
X	HIS106
X	VAL126

site_id	FC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE D1X W 147

Chain	Residue
M	ASP88
W	ARG19
W	TYR24
W	ASN75
W	GLY77
W	GLY78
W	HIS81
W	HIS101
W	ILE102
W	SER103
W	ARG112
W	HOH441

Functional Information from PROSITE/UniProt

site_id	PS01029
Number of Residues	18
Details	DEHYDROQUINASE_II Dehydroquinase class II signature. INGPNLgrLGrREpavYG

Chain	Residue	Details
A	ILE8-GLY25

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	22
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	24
Details	Active site: {"description":"Proton donor"}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	120
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	23
Details	Site: {"description":"Transition state stabilizer"}

Chain

Residue

Details

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