Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3KIP

Crystal structure of type-II 3-dehydroquinase from C. albicans

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003855	molecular_function	3-dehydroquinate dehydratase activity
A	0005575	cellular_component	cellular_component
A	0008150	biological_process	biological_process
A	0016829	molecular_function	lyase activity
A	0019630	biological_process	quinate metabolic process
A	0019631	biological_process	quinate catabolic process
A	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
B	0003855	molecular_function	3-dehydroquinate dehydratase activity
B	0005575	cellular_component	cellular_component
B	0008150	biological_process	biological_process
B	0016829	molecular_function	lyase activity
B	0019630	biological_process	quinate metabolic process
B	0019631	biological_process	quinate catabolic process
B	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
C	0003855	molecular_function	3-dehydroquinate dehydratase activity
C	0005575	cellular_component	cellular_component
C	0008150	biological_process	biological_process
C	0016829	molecular_function	lyase activity
C	0019630	biological_process	quinate metabolic process
C	0019631	biological_process	quinate catabolic process
C	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
D	0003855	molecular_function	3-dehydroquinate dehydratase activity
D	0005575	cellular_component	cellular_component
D	0008150	biological_process	biological_process
D	0016829	molecular_function	lyase activity
D	0019630	biological_process	quinate metabolic process
D	0019631	biological_process	quinate catabolic process
D	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
E	0003855	molecular_function	3-dehydroquinate dehydratase activity
E	0005575	cellular_component	cellular_component
E	0008150	biological_process	biological_process
E	0016829	molecular_function	lyase activity
E	0019630	biological_process	quinate metabolic process
E	0019631	biological_process	quinate catabolic process
E	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
F	0003855	molecular_function	3-dehydroquinate dehydratase activity
F	0005575	cellular_component	cellular_component
F	0008150	biological_process	biological_process
F	0016829	molecular_function	lyase activity
F	0019630	biological_process	quinate metabolic process
F	0019631	biological_process	quinate catabolic process
F	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
G	0003855	molecular_function	3-dehydroquinate dehydratase activity
G	0005575	cellular_component	cellular_component
G	0008150	biological_process	biological_process
G	0016829	molecular_function	lyase activity
G	0019630	biological_process	quinate metabolic process
G	0019631	biological_process	quinate catabolic process
G	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
H	0003855	molecular_function	3-dehydroquinate dehydratase activity
H	0005575	cellular_component	cellular_component
H	0008150	biological_process	biological_process
H	0016829	molecular_function	lyase activity
H	0019630	biological_process	quinate metabolic process
H	0019631	biological_process	quinate catabolic process
H	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
I	0003855	molecular_function	3-dehydroquinate dehydratase activity
I	0005575	cellular_component	cellular_component
I	0008150	biological_process	biological_process
I	0016829	molecular_function	lyase activity
I	0019630	biological_process	quinate metabolic process
I	0019631	biological_process	quinate catabolic process
I	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
J	0003855	molecular_function	3-dehydroquinate dehydratase activity
J	0005575	cellular_component	cellular_component
J	0008150	biological_process	biological_process
J	0016829	molecular_function	lyase activity
J	0019630	biological_process	quinate metabolic process
J	0019631	biological_process	quinate catabolic process
J	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
K	0003855	molecular_function	3-dehydroquinate dehydratase activity
K	0005575	cellular_component	cellular_component
K	0008150	biological_process	biological_process
K	0016829	molecular_function	lyase activity
K	0019630	biological_process	quinate metabolic process
K	0019631	biological_process	quinate catabolic process
K	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
L	0003855	molecular_function	3-dehydroquinate dehydratase activity
L	0005575	cellular_component	cellular_component
L	0008150	biological_process	biological_process
L	0016829	molecular_function	lyase activity
L	0019630	biological_process	quinate metabolic process
L	0019631	biological_process	quinate catabolic process
L	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
M	0003855	molecular_function	3-dehydroquinate dehydratase activity
M	0005575	cellular_component	cellular_component
M	0008150	biological_process	biological_process
M	0016829	molecular_function	lyase activity
M	0019630	biological_process	quinate metabolic process
M	0019631	biological_process	quinate catabolic process
M	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
N	0003855	molecular_function	3-dehydroquinate dehydratase activity
N	0005575	cellular_component	cellular_component
N	0008150	biological_process	biological_process
N	0016829	molecular_function	lyase activity
N	0019630	biological_process	quinate metabolic process
N	0019631	biological_process	quinate catabolic process
N	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
O	0003855	molecular_function	3-dehydroquinate dehydratase activity
O	0005575	cellular_component	cellular_component
O	0008150	biological_process	biological_process
O	0016829	molecular_function	lyase activity
O	0019630	biological_process	quinate metabolic process
O	0019631	biological_process	quinate catabolic process
O	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
P	0003855	molecular_function	3-dehydroquinate dehydratase activity
P	0005575	cellular_component	cellular_component
P	0008150	biological_process	biological_process
P	0016829	molecular_function	lyase activity
P	0019630	biological_process	quinate metabolic process
P	0019631	biological_process	quinate catabolic process
P	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
Q	0003855	molecular_function	3-dehydroquinate dehydratase activity
Q	0005575	cellular_component	cellular_component
Q	0008150	biological_process	biological_process
Q	0016829	molecular_function	lyase activity
Q	0019630	biological_process	quinate metabolic process
Q	0019631	biological_process	quinate catabolic process
Q	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
R	0003855	molecular_function	3-dehydroquinate dehydratase activity
R	0005575	cellular_component	cellular_component
R	0008150	biological_process	biological_process
R	0016829	molecular_function	lyase activity
R	0019630	biological_process	quinate metabolic process
R	0019631	biological_process	quinate catabolic process
R	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
S	0003855	molecular_function	3-dehydroquinate dehydratase activity
S	0005575	cellular_component	cellular_component
S	0008150	biological_process	biological_process
S	0016829	molecular_function	lyase activity
S	0019630	biological_process	quinate metabolic process
S	0019631	biological_process	quinate catabolic process
S	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
T	0003855	molecular_function	3-dehydroquinate dehydratase activity
T	0005575	cellular_component	cellular_component
T	0008150	biological_process	biological_process
T	0016829	molecular_function	lyase activity
T	0019630	biological_process	quinate metabolic process
T	0019631	biological_process	quinate catabolic process
T	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
U	0003855	molecular_function	3-dehydroquinate dehydratase activity
U	0005575	cellular_component	cellular_component
U	0008150	biological_process	biological_process
U	0016829	molecular_function	lyase activity
U	0019630	biological_process	quinate metabolic process
U	0019631	biological_process	quinate catabolic process
U	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
V	0003855	molecular_function	3-dehydroquinate dehydratase activity
V	0005575	cellular_component	cellular_component
V	0008150	biological_process	biological_process
V	0016829	molecular_function	lyase activity
V	0019630	biological_process	quinate metabolic process
V	0019631	biological_process	quinate catabolic process
V	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
W	0003855	molecular_function	3-dehydroquinate dehydratase activity
W	0005575	cellular_component	cellular_component
W	0008150	biological_process	biological_process
W	0016829	molecular_function	lyase activity
W	0019630	biological_process	quinate metabolic process
W	0019631	biological_process	quinate catabolic process
W	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process
X	0003855	molecular_function	3-dehydroquinate dehydratase activity
X	0005575	cellular_component	cellular_component
X	0008150	biological_process	biological_process
X	0016829	molecular_function	lyase activity
X	0019630	biological_process	quinate metabolic process
X	0019631	biological_process	quinate catabolic process
X	0046279	biological_process	3,4-dihydroxybenzoate biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 155

Chain	Residue
A	ASN77
A	HIS103
A	ILE104
A	THR105

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 155

Chain	Residue
B	ASN77
B	ILE104
B	THR105

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 155

Chain	Residue
C	ILE104
C	THR105
C	ARG110
C	ASN77
C	HIS103

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 155

Chain	Residue
D	ASN77
D	HIS103
D	ILE104
D	THR105

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 155

Chain	Residue
E	ASN77
E	HIS103
E	ILE104
E	THR105

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 F 155

Chain	Residue
F	ASN77
F	HIS103
F	ILE104
F	THR105

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 G 155

Chain	Residue
G	ASN77
G	HIS103
G	ILE104
G	THR105

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 H 155

Chain	Residue
H	ASN77
H	HIS103
H	ILE104
H	THR105

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 I 155

Chain	Residue
I	TYR23
I	ASN77
I	HIS103
I	ILE104
I	THR105

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 K 155

Chain	Residue
K	ASN77
K	HIS103
K	ILE104
K	THR105

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 M 155

Chain	Residue
M	ASN77
M	HIS103
M	ILE104
M	THR105

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 N 155

Chain	Residue
N	ASN77
N	HIS103
N	ILE104
N	THR105

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 O 155

Chain	Residue
O	ASN77
O	HIS103
O	ILE104
O	THR105

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 P 155

Chain	Residue
P	ASN77
P	HIS103
P	ILE104
P	THR105

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 Q 155

Chain	Residue
Q	ASN77
Q	HIS103
Q	ILE104
Q	THR105

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 R 155

Chain	Residue
R	ASN77
R	HIS103
R	ILE104
R	THR105

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 S 155

Chain	Residue
S	ASN77
S	HIS103
S	ILE104
S	THR105

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 T 155

Chain	Residue
T	ASN77
T	HIS103
T	ILE104
T	THR105

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 U 155

Chain	Residue
U	ASN77
U	HIS103
U	ILE104
U	THR105

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 V 155

Chain	Residue
V	ASN77
V	HIS103
V	ILE104
V	THR105
V	HOH157

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 W 155

Chain	Residue
W	ASN77
W	HIS103
W	ILE104
W	THR105

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 X 155

Chain	Residue
X	ASN77
X	HIS103
X	ILE104
X	THR105

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 156

Chain	Residue
A	ARG68
B	ASN13
M	ARG68
N	ASN13

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 J 155

Chain	Residue
J	ASN77
J	HIS103
J	ILE104
J	THR105

site_id	CC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS A 157

Chain	Residue
A	THR84
A	SER85
B	GLU56
B	THR84
C	GLU56
C	THR84
C	SER85
A	GLU56

site_id	CC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS D 156

Chain	Residue
D	GLU56
D	THR84
D	SER85
E	GLU56
E	THR84
E	SER85
F	GLU56
F	THR84

site_id	CC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS G 156

Chain	Residue
G	GLU56
G	THR84
G	SER85
H	GLU56
H	THR84
H	SER85
I	GLU56
I	THR84
I	SER85

site_id	DC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS J 156

Chain	Residue
J	GLU56
J	THR84
J	SER85
K	GLU56
K	THR84
K	SER85
L	GLU56
L	THR84
L	SER85

site_id	DC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS N 156

Chain	Residue
M	GLU56
M	THR84
M	SER85
N	GLU56
N	THR84
N	SER85
O	GLU56
O	THR84
O	SER85

site_id	DC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS P 156

Chain	Residue
P	GLU56
P	THR84
P	SER85
Q	GLU56
Q	THR84
R	GLU56
R	THR84
R	SER85

site_id	DC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS T 156

Chain	Residue
S	GLU56
S	THR84
S	SER85
T	GLU56
T	THR84
T	SER85
U	GLU56
U	THR84

site_id	DC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS W 156

Chain	Residue
V	GLU56
V	THR84
W	GLU56
W	THR84
W	SER85
X	GLU56
X	THR84
X	SER85

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ILE7-GLY24

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	ACT_SITE: Proton acceptor => ECO:0000255\|HAMAP-Rule:MF_03136

Chain	Residue	Details
A	TYR23
J	TYR23
K	TYR23
L	TYR23
M	TYR23
N	TYR23
O	TYR23
P	TYR23
Q	TYR23
R	TYR23
S	TYR23
B	TYR23
T	TYR23
U	TYR23
V	TYR23
W	TYR23
X	TYR23
C	TYR23
D	TYR23
E	TYR23
F	TYR23
G	TYR23
H	TYR23
I	TYR23

site_id	SWS_FT_FI2
Number of Residues	24
Details	ACT_SITE: Proton donor => ECO:0000255\|HAMAP-Rule:MF_03136

Chain	Residue	Details
A	HIS103
J	HIS103
K	HIS103
L	HIS103
M	HIS103
N	HIS103
O	HIS103
P	HIS103
Q	HIS103
R	HIS103
S	HIS103
B	HIS103
T	HIS103
U	HIS103
V	HIS103
W	HIS103
X	HIS103
C	HIS103
D	HIS103
E	HIS103
F	HIS103
G	HIS103
H	HIS103
I	HIS103

site_id	SWS_FT_FI3
Number of Residues	120
Details	BINDING: BINDING => ECO:0000255\|HAMAP-Rule:MF_03136

Chain	Residue	Details
A	ASN77
B	ARG114
T	ARG114
U	ASN77
U	HIS83
U	ASP90
U	ILE104
U	ARG114
V	ASN77
V	HIS83
V	ASP90
V	ILE104
C	ASN77
V	ARG114
W	ASN77
W	HIS83
W	ASP90
W	ILE104
W	ARG114
X	ASN77
X	HIS83
X	ASP90
X	ILE104
C	HIS83
X	ARG114
C	ASP90
C	ILE104
C	ARG114
D	ASN77
D	HIS83
D	ASP90
D	ILE104
A	HIS83
D	ARG114
E	ASN77
E	HIS83
E	ASP90
E	ILE104
E	ARG114
F	ASN77
F	HIS83
F	ASP90
F	ILE104
A	ASP90
F	ARG114
G	ASN77
G	HIS83
G	ASP90
G	ILE104
G	ARG114
H	ASN77
H	HIS83
H	ASP90
H	ILE104
A	ILE104
H	ARG114
I	ASN77
I	HIS83
I	ASP90
I	ILE104
I	ARG114
J	ASN77
J	HIS83
J	ASP90
J	ILE104
A	ARG114
J	ARG114
K	ASN77
K	HIS83
K	ASP90
K	ILE104
K	ARG114
L	ASN77
L	HIS83
L	ASP90
L	ILE104
B	ASN77
L	ARG114
M	ASN77
M	HIS83
M	ASP90
M	ILE104
M	ARG114
N	ASN77
N	HIS83
N	ASP90
N	ILE104
B	HIS83
N	ARG114
O	ASN77
O	HIS83
O	ASP90
O	ILE104
O	ARG114
P	ASN77
P	HIS83
P	ASP90
P	ILE104
B	ASP90
P	ARG114
Q	ASN77
Q	HIS83
Q	ASP90
Q	ILE104
Q	ARG114
R	ASN77
R	HIS83
R	ASP90
R	ILE104
B	ILE104
R	ARG114
S	ASN77
S	HIS83
S	ASP90
S	ILE104
S	ARG114
T	ASN77
T	HIS83
T	ASP90
T	ILE104

site_id	SWS_FT_FI4
Number of Residues	24
Details	SITE: Transition state stabilizer => ECO:0000255\|HAMAP-Rule:MF_03136

Chain	Residue	Details
A	ARG18
J	ARG18
K	ARG18
L	ARG18
M	ARG18
N	ARG18
O	ARG18
P	ARG18
Q	ARG18
R	ARG18
S	ARG18
B	ARG18
T	ARG18
U	ARG18
V	ARG18
W	ARG18
X	ARG18
C	ARG18
D	ARG18
E	ARG18
F	ARG18
G	ARG18
H	ARG18
I	ARG18

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