SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3moy'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 GLU A  35
GLY A 110
GLU A 113
LEU A  85
GLY A 141
 None
EDO  A 262 ( 3.9A)
EDO  A 262 (-2.7A)
None
EDO  A 262 (-3.6A)
 1.44A 1i7qA-3moyA:
undetectable		 1i7qA-3moyA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQT_B_ACTB1873_0
(FPRA)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A  48
ASP A  44
LYS A  97
 None
 1.13A 1lqtB-3moyA:
undetectable		 1lqtB-3moyA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQU_B_ACTB1430_0
(FPRA)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A  48
ASP A  44
LYS A  97
 None
 1.14A 1lquB-3moyA:
undetectable		 1lquB-3moyA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WMQ_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ARG A  11
ILE A  51
GLY A  15
ALA A  14
 GOL  A 264 (-4.7A)
None
None
None
 1.01A 1wmqB-3moyA:
undetectable		 1wmqB-3moyA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WPU_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ARG A  11
ILE A  51
GLY A  15
ALA A  14
 GOL  A 264 (-4.7A)
None
None
None
 1.01A 1wpuA-3moyA:
undetectable		 1wpuA-3moyA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WPU_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ARG A  11
ILE A  51
GLY A  15
ALA A  14
 GOL  A 264 (-4.7A)
None
None
None
 1.00A 1wpuB-3moyA:
3.3		 1wpuB-3moyA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X1A_A_SAMA4264_0
(CRTF-RELATED PROTEIN)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLU A 133
ALA A  29
GLY A 130
GLY A 109
ASP A 159
 EDO  A 262 (-3.5A)
None
None
EDO  A 263 (-3.3A)
None
 1.01A 1x1aA-3moyA:
undetectable		 1x1aA-3moyA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7U_A_SAMA1299_0
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 PHE A  63
PHE A 129
SER A 179
ALA A 127
 None
 0.95A 2v7uA-3moyA:
undetectable		 2v7uA-3moyA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ILE A 198
GLY A  52
ILE A  51
VAL A  56
ILE A  99
 None
 1.11A 3d1yB-3moyA:
undetectable		 3d1yB-3moyA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 GLY A  17
ALA A 102
VAL A  55
SER A  10
VAL A  16
 None
None
None
GOL  A 264 (-4.7A)
None
 1.30A 4da7A-3moyA:
undetectable		 4da7A-3moyA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ALA A 123
PHE A 129
ALA A 107
ALA A 101
 None
 0.85A 4du2A-3moyA:
undetectable		 4du2A-3moyA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DU2_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ALA A 123
PHE A 129
ALA A 107
ALA A 101
 None
 0.80A 4du2B-3moyA:
undetectable		 4du2B-3moyA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNW_B_RTZB602_2
(CYTOCHROME P450 2D6)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 GLU A 113
ILE A  69
ALA A  64
 EDO  A 262 (-2.7A)
None
None
 0.58A 4wnwB-3moyA:
undetectable		 4wnwB-3moyA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 LEU A 117
ALA A 101
VAL A  38
ILE A  19
 None
 0.95A 4xe3A-3moyA:
undetectable		 4xe3A-3moyA:
24.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0Y_A_FOLA201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 114
GLY A  66
PHE A 129
THR A 168
VAL A 121
 None
EDO  A 263 (-3.3A)
None
GOL  A 265 (-2.9A)
None
 1.24A 5d0yA-3moyA:
undetectable		 5d0yA-3moyA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NFJ_A_SAMA501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 167
THR A 168
ALA A 169
LEU A 177
LEU A 108
 None
GOL  A 265 (-2.9A)
None
None
EDO  A 263 ( 4.9A)
 0.87A 5nfjA-3moyA:
undetectable		 5nfjA-3moyA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ASP A 119
ALA A 195
PRO A  12
ARG A  11
LEU A  18
 None
None
None
GOL  A 264 (-4.7A)
None
 1.30A 5syfB-3moyA:
undetectable		 5syfB-3moyA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UL4_A_SAMA803_0
(OXSB PROTEIN)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A  64
GLY A 109
GLU A 133
ILE A 138
LEU A  85
 None
EDO  A 263 (-3.3A)
EDO  A 262 (-3.5A)
None
None
 1.21A 5ul4A-3moyA:
2.1		 5ul4A-3moyA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		 3moy PROBABLE ENOYL-COA
HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 VAL A 103
LEU A 117
GLY A 111
ALA A 107
LEU A 177
 None
 0.92A 5x23A-3moyA:
undetectable		 5x23A-3moyA:
20.38