Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3N59

Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate

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	3
Details	BINDING SITE FOR RESIDUE CL A 147

Chain	Residue
A	ARG87
A	HIS114
G	ARG113

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 147

Chain	Residue
B	ARG87
B	HIS114
F	ARG113

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 148

Chain	Residue
B	ARG113
F	ARG87
F	HIS114

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 3DS C 147

Chain	Residue
B	ASP88
C	ARG19
C	TYR24
C	ASN75
C	GLY77
C	GLY78
C	HIS81
C	HIS101
C	ILE102
C	SER103
C	ARG112
C	HOH197

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 148

Chain	Residue
C	ARG87
C	HIS114
H	ARG113

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL D 147

Chain	Residue
D	ARG87
D	HIS114
I	ARG113

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL D 148

Chain	Residue
D	ARG113
I	ARG87
I	HIS114
I	PRO119

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL E 147

Chain	Residue
E	ARG113
K	ARG87
K	HIS114
K	PRO119

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL E 148

Chain	Residue
E	ARG87
E	HIS114
K	ARG113

site_id	BC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 3DS G 147

Chain	Residue
F	ASP88
G	ARG19
G	TYR24
G	ASN75
G	GLY77
G	GLY78
G	HIS81
G	HIS101
G	ILE102
G	SER103
G	ARG112
G	HOH673

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL G 148

Chain	Residue
A	ARG113
G	ARG87
G	HIS114
G	PRO119

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL H 147

Chain	Residue
C	ARG113
H	ARG87
H	HIS114

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL J 147

Chain	Residue
J	ARG87
J	HIS114
J	PRO119
L	ARG113

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL J 148

Chain	Residue
J	ARG113
L	ARG87
L	HIS114
L	PRO119

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL M 147

Chain	Residue
M	ARG87
M	HIS114
S	ARG113

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL N 147

Chain	Residue
N	ARG87
N	HIS114
N	PRO119
R	ARG113

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL O 147

Chain	Residue
O	ARG87
O	HIS114
T	ARG113

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL P 147

Chain	Residue
P	ARG87
P	HIS114
U	ARG113

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL Q 147

Chain	Residue
Q	ARG87
Q	HIS114
W	ARG113

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL R 147

Chain	Residue
N	ARG113
R	ARG87
R	HIS114

site_id	CC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL S 147

Chain	Residue
M	ARG113
S	ARG87
S	HIS114

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL T 147

Chain	Residue
O	ARG113
T	ARG87
T	HIS114

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL U 147

Chain	Residue
P	ARG113
U	ARG87
U	HIS114

site_id	CC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL V 147

Chain	Residue
V	ARG113
X	ARG87
X	HIS114

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL V 148

Chain	Residue
V	ARG87
V	HIS114
X	ARG113

site_id	CC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL W 147

Chain	Residue
Q	ARG113
W	ARG87
W	HIS114

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	8
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	6
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)