Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4B0J

Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 5-(2- thienyl)-3-isoxazolyl methanol

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0006633	biological_process	fatty acid biosynthetic process
A	0006636	biological_process	unsaturated fatty acid biosynthetic process
A	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
A	0016829	molecular_function	lyase activity
A	0016853	molecular_function	isomerase activity
A	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
A	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
B	0005737	cellular_component	cytoplasm
B	0006633	biological_process	fatty acid biosynthetic process
B	0006636	biological_process	unsaturated fatty acid biosynthetic process
B	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
B	0016829	molecular_function	lyase activity
B	0016853	molecular_function	isomerase activity
B	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
B	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
C	0005737	cellular_component	cytoplasm
C	0006633	biological_process	fatty acid biosynthetic process
C	0006636	biological_process	unsaturated fatty acid biosynthetic process
C	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
C	0016829	molecular_function	lyase activity
C	0016853	molecular_function	isomerase activity
C	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
C	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
D	0005737	cellular_component	cytoplasm
D	0006633	biological_process	fatty acid biosynthetic process
D	0006636	biological_process	unsaturated fatty acid biosynthetic process
D	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
D	0016829	molecular_function	lyase activity
D	0016853	molecular_function	isomerase activity
D	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
D	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
E	0005737	cellular_component	cytoplasm
E	0006633	biological_process	fatty acid biosynthetic process
E	0006636	biological_process	unsaturated fatty acid biosynthetic process
E	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
E	0016829	molecular_function	lyase activity
E	0016853	molecular_function	isomerase activity
E	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
E	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
F	0005737	cellular_component	cytoplasm
F	0006633	biological_process	fatty acid biosynthetic process
F	0006636	biological_process	unsaturated fatty acid biosynthetic process
F	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
F	0016829	molecular_function	lyase activity
F	0016853	molecular_function	isomerase activity
F	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
F	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
G	0005737	cellular_component	cytoplasm
G	0006633	biological_process	fatty acid biosynthetic process
G	0006636	biological_process	unsaturated fatty acid biosynthetic process
G	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
G	0016829	molecular_function	lyase activity
G	0016853	molecular_function	isomerase activity
G	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
G	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
H	0005737	cellular_component	cytoplasm
H	0006633	biological_process	fatty acid biosynthetic process
H	0006636	biological_process	unsaturated fatty acid biosynthetic process
H	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
H	0016829	molecular_function	lyase activity
H	0016853	molecular_function	isomerase activity
H	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
H	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
I	0005737	cellular_component	cytoplasm
I	0006633	biological_process	fatty acid biosynthetic process
I	0006636	biological_process	unsaturated fatty acid biosynthetic process
I	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
I	0016829	molecular_function	lyase activity
I	0016853	molecular_function	isomerase activity
I	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
I	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
J	0005737	cellular_component	cytoplasm
J	0006633	biological_process	fatty acid biosynthetic process
J	0006636	biological_process	unsaturated fatty acid biosynthetic process
J	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
J	0016829	molecular_function	lyase activity
J	0016853	molecular_function	isomerase activity
J	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
J	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
K	0005737	cellular_component	cytoplasm
K	0006633	biological_process	fatty acid biosynthetic process
K	0006636	biological_process	unsaturated fatty acid biosynthetic process
K	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
K	0016829	molecular_function	lyase activity
K	0016853	molecular_function	isomerase activity
K	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
K	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
L	0005737	cellular_component	cytoplasm
L	0006633	biological_process	fatty acid biosynthetic process
L	0006636	biological_process	unsaturated fatty acid biosynthetic process
L	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
L	0016829	molecular_function	lyase activity
L	0016853	molecular_function	isomerase activity
L	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
L	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
M	0005737	cellular_component	cytoplasm
M	0006633	biological_process	fatty acid biosynthetic process
M	0006636	biological_process	unsaturated fatty acid biosynthetic process
M	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
M	0016829	molecular_function	lyase activity
M	0016853	molecular_function	isomerase activity
M	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
M	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
N	0005737	cellular_component	cytoplasm
N	0006633	biological_process	fatty acid biosynthetic process
N	0006636	biological_process	unsaturated fatty acid biosynthetic process
N	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
N	0016829	molecular_function	lyase activity
N	0016853	molecular_function	isomerase activity
N	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
N	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
O	0005737	cellular_component	cytoplasm
O	0006633	biological_process	fatty acid biosynthetic process
O	0006636	biological_process	unsaturated fatty acid biosynthetic process
O	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
O	0016829	molecular_function	lyase activity
O	0016853	molecular_function	isomerase activity
O	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
O	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
P	0005737	cellular_component	cytoplasm
P	0006633	biological_process	fatty acid biosynthetic process
P	0006636	biological_process	unsaturated fatty acid biosynthetic process
P	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
P	0016829	molecular_function	lyase activity
P	0016853	molecular_function	isomerase activity
P	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
P	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
Q	0005737	cellular_component	cytoplasm
Q	0006633	biological_process	fatty acid biosynthetic process
Q	0006636	biological_process	unsaturated fatty acid biosynthetic process
Q	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
Q	0016829	molecular_function	lyase activity
Q	0016853	molecular_function	isomerase activity
Q	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
Q	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
R	0005737	cellular_component	cytoplasm
R	0006633	biological_process	fatty acid biosynthetic process
R	0006636	biological_process	unsaturated fatty acid biosynthetic process
R	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
R	0016829	molecular_function	lyase activity
R	0016853	molecular_function	isomerase activity
R	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
R	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
S	0005737	cellular_component	cytoplasm
S	0006633	biological_process	fatty acid biosynthetic process
S	0006636	biological_process	unsaturated fatty acid biosynthetic process
S	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
S	0016829	molecular_function	lyase activity
S	0016853	molecular_function	isomerase activity
S	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
S	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
T	0005737	cellular_component	cytoplasm
T	0006633	biological_process	fatty acid biosynthetic process
T	0006636	biological_process	unsaturated fatty acid biosynthetic process
T	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
T	0016829	molecular_function	lyase activity
T	0016853	molecular_function	isomerase activity
T	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
T	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 3MQ A 1172

Chain	Residue
A	GLY79
A	PHE113
A	PHE114
A	GLY115
A	GLN116
A	HOH2036
B	ALA105
B	PHE171

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 3MQ B 1172

Chain	Residue
A	LEU106
A	PHE171
B	VAL76
B	GLY79
B	PHE113
B	GLY115
B	GLN116
A	ALA105

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 3MQ C 1172

Chain	Residue
C	VAL76
C	MET77
C	GLY79
C	PHE113
C	PHE114
C	GLY115
C	GLN116
C	HOH2032
C	HOH2060
D	ALA105
D	LEU106

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 3MQ D 1172

Chain	Residue
C	ALA105
D	VAL76
D	GLY79
D	PHE113
D	GLY115
D	GLN116
D	HOH2019

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 3MQ E 1172

Chain	Residue
E	VAL76
E	MET77
E	GLY79
E	PHE113
E	GLY115
E	GLN116
E	HOH2025
E	HOH2041
F	ALA105
F	LEU106
F	PHE171

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 3MQ F 1172

Chain	Residue
E	ALA105
E	LEU106
F	VAL76
F	GLY79
F	PHE113
F	PHE114
F	GLY115
F	GLN116
F	HOH2022

site_id	AC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 3MQ K 1172

Chain	Residue
K	MET77
K	PRO78
K	GLY79
K	PHE113
K	GLY115
K	GLN116
K	HOH2042
K	HOH2043
L	ALA105
L	LEU106
L	PHE171

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 3MQ G 1172

Chain	Residue
G	HIS70
G	GLY79
G	PHE113
G	PHE114
G	GLY115
G	GLN116
G	HOH2021
H	ARG104
H	ALA105
H	LEU106

site_id	AC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 3MQ H 1172

Chain	Residue
G	ALA105
G	LEU106
G	PHE171
G	HOH2027
H	MET77
H	PRO78
H	GLY79
H	PHE113
H	GLY115
H	GLN116
H	HOH2024

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 3MQ I 1172

Chain	Residue
I	VAL76
I	GLY79
I	PHE113
I	GLY115
I	GLN116
J	ALA105
J	LEU106
J	PHE171

site_id	BC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 3MQ J 1172

Chain	Residue
J	PHE113
J	PHE114
J	GLY115
J	GLN116
J	HOH2034
I	ARG104
I	ALA105
I	PHE171
J	VAL76
J	GLY79

site_id	BC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 3MQ O 1172

Chain	Residue
O	VAL76
O	MET77
O	GLY79
O	PHE113
O	GLY115
O	GLN116
O	HOH2043
O	HOH2044
P	ALA105
P	LEU106

site_id	BC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 3MQ L 1172

Chain	Residue
K	ARG104
K	ALA105
K	LEU106
K	HOH2029
L	VAL76
L	GLY79
L	PHE113
L	PHE114
L	GLY115
L	GLN116
L	HOH2031

site_id	BC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 3MQ Q 1172

Chain	Residue
L	HOH2043
Q	HIS70
Q	VAL76
Q	GLY79
Q	PHE113
Q	PHE114
Q	GLY115
Q	GLN116
R	ARG104
R	ALA105

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 3MQ M 1172

Chain	Residue
M	VAL76
M	GLY79
M	PHE113
M	PHE114
M	GLY115
M	GLN116
N	ALA105
N	LEU106

site_id	BC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 3MQ R 1172

Chain	Residue
Q	ARG104
Q	ALA105
R	MET77
R	GLY79
R	PHE113
R	PHE114
R	GLY115
R	GLN116

site_id	BC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 3MQ N 1172

Chain	Residue
M	ALA105
M	PHE171
N	VAL76
N	GLY79
N	PHE113
N	GLY115
N	GLN116
N	HOH2022

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 3MQ S 1172

Chain	Residue
S	GLY79
S	PHE113
S	GLY115
S	GLN116
T	ARG104
T	ALA105
T	LEU106

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 3MQ P 1172

Chain	Residue
O	ALA105
P	VAL76
P	GLY79
P	PHE113
P	PHE114
P	GLY115
P	GLN116

site_id	CC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 3MQ T 1172

Chain	Residue
S	ARG104
S	ALA105
S	LEU106
S	PHE171
T	GLY79
T	PHE113
T	GLY115
T	GLN116
T	HOH2014

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	20
Details	ACT_SITE: ACT_SITE => ECO:0000250

Chain	Residue	Details
A	HIS70
J	HIS70
K	HIS70
L	HIS70
M	HIS70
N	HIS70
O	HIS70
P	HIS70
Q	HIS70
R	HIS70
S	HIS70
B	HIS70
T	HIS70
C	HIS70
D	HIS70
E	HIS70
F	HIS70
G	HIS70
H	HIS70
I	HIS70

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