SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ja9'

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.
1MXD_A_ACRA733_1
(ALPHA AMYLASE)		 1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE
(Magnaporthe
grisea) 		4 / 6 SER A 163
THR A 162
ASN A 138
LEU A 137
 None
NDP  A 402 (-4.2A)
None
NDP  A 402 (-4.4A)
 1.37A 1mxdA-1ja9A:
undetectable		 1mxdA-1ja9A:
22.58
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.
1RG7_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		 1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE
(Magnaporthe
grisea) 		3 / 3 ILE A  45
ILE A 255
THR A  35
 None
 0.63A 1rg7A-1ja9A:
undetectable		 1rg7A-1ja9A:
18.02
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.
1RG7_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		 1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE
(Magnaporthe
grisea) 		3 / 3 ILE A 160
ILE A 206
THR A 202
 None
 0.57A 1rg7A-1ja9A:
undetectable		 1rg7A-1ja9A:
18.02
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.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE
(Magnaporthe
grisea) 		5 / 12 ALA A  37
LEU A  49
THR A 162
ILE A 206
ILE A  41
 None
None
NDP  A 402 (-4.2A)
None
NDP  A 402 (-4.0A)
 0.98A 1rx7A-1ja9A:
undetectable		 1rx7A-1ja9A:
18.02
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		 1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE
(Magnaporthe
grisea) 		4 / 8 ILE A  41
ILE A  45
ARG A 158
ALA A  32
 NDP  A 402 (-4.0A)
None
None
None
 0.65A 2nniA-1ja9A:
undetectable		 2nniA-1ja9A:
21.13
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.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE
(Magnaporthe
grisea) 		5 / 12 GLY A  50
GLY A  53
ALA A  32
ALA A  46
LEU A  74
 None
 0.88A 2yqzA-1ja9A:
6.8		 2yqzA-1ja9A:
24.69
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.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE
(Magnaporthe
grisea) 		5 / 12 GLY A  50
GLY A  53
ALA A  32
ALA A  46
LEU A  74
 None
 0.87A 2yqzB-1ja9A:
6.8		 2yqzB-1ja9A:
24.69
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE
(Magnaporthe
grisea) 		4 / 5 SER A 164
ILE A  41
TYR A 178
GLY A 209
 PYQ  A 406 ( 2.7A)
NDP  A 402 (-4.0A)
PYQ  A 406 ( 4.3A)
PYQ  A 406 (-4.1A)
 0.99A 3uboB-1ja9A:
6.7		 3uboB-1ja9A:
22.31
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.
4R38_D_RBFD201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE
(Magnaporthe
grisea) 		4 / 8 LEU A 161
VAL A 259
LEU A 262
ILE A 206
 None
 0.85A 4r38D-1ja9A:
undetectable		 4r38D-1ja9A:
19.32
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.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE
(Magnaporthe
grisea) 		5 / 12 ALA A  37
LEU A  49
THR A 162
ILE A 206
ILE A  41
 None
None
NDP  A 402 (-4.2A)
None
NDP  A 402 (-4.0A)
 0.94A 4x5jA-1ja9A:
undetectable		 4x5jA-1ja9A:
18.21
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.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE
(Magnaporthe
grisea) 		4 / 5 ARG A  43
ARG A  39
GLY A  40
ASP A 214
 None
NDP  A 402 (-3.7A)
NDP  A 402 (-3.3A)
NDP  A 402 (-4.8A)
 1.28A 6dwjB-1ja9A:
0.0
6dwjD-1ja9A:
undetectable		 6dwjB-1ja9A:
18.95
6dwjD-1ja9A:
18.95