SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3pgv'

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.
1ICR_A_NIOA604_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 5 SER A 177
THR A 178
GLU A 183
GLY A  43
 EPE  A 268 ( 4.3A)
GOL  A 272 (-4.1A)
None
EPE  A 268 (-3.7A)
 1.33A 1icrA-3pgvA:
undetectable
1icrB-3pgvA:
2.4		 1icrA-3pgvA:
22.45
1icrB-3pgvA:
22.45
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.
1ICR_B_NIOB602_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 5 GLU A 183
GLY A  43
SER A 177
THR A 178
 None
EPE  A 268 (-3.7A)
EPE  A 268 ( 4.3A)
GOL  A 272 (-4.1A)
 1.32A 1icrA-3pgvA:
undetectable
1icrB-3pgvA:
2.4		 1icrA-3pgvA:
22.45
1icrB-3pgvA:
22.45
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.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 5 SER A 177
THR A 178
GLU A 183
GLY A  43
 EPE  A 268 ( 4.3A)
GOL  A 272 (-4.1A)
None
EPE  A 268 (-3.7A)
 1.33A 1icvC-3pgvA:
3.1
1icvD-3pgvA:
undetectable		 1icvC-3pgvA:
22.45
1icvD-3pgvA:
22.45
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.
1KQB_B_BEZB525_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 5 GLU A 183
GLY A  43
SER A 177
THR A 178
 None
EPE  A 268 (-3.7A)
EPE  A 268 ( 4.3A)
GOL  A 272 (-4.1A)
 1.31A 1kqbA-3pgvA:
undetectable
1kqbB-3pgvA:
2.5		 1kqbA-3pgvA:
21.25
1kqbB-3pgvA:
21.25
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.
1QKU_A_ESTA600_1
(ESTRADIOL RECEPTOR)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 10 ALA A   6
LEU A 260
MET A 231
ILE A 248
LEU A 222
 None
 1.25A 1qkuA-3pgvA:
undetectable		 1qkuA-3pgvA:
25.48
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.
1QKU_B_ESTB600_1
(ESTRADIOL RECEPTOR)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 10 ALA A   6
LEU A 260
MET A 231
ILE A 248
LEU A 222
 None
 1.25A 1qkuB-3pgvA:
undetectable		 1qkuB-3pgvA:
25.48
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.
1QKU_C_ESTC600_1
(ESTRADIOL RECEPTOR)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 10 ALA A   6
LEU A 260
MET A 231
ILE A 248
LEU A 222
 None
 1.25A 1qkuC-3pgvA:
undetectable		 1qkuC-3pgvA:
25.48
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.
2O01_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 8 PHE A  38
SER A   7
ALA A  24
LEU A  28
 None
 1.04A 2o01A-3pgvA:
undetectable		 2o01A-3pgvA:
15.79
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.
2ZW9_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 12 ILE A 248
ASN A 251
GLY A  11
ASP A  10
LEU A 222
 None
None
GOL  A 272 ( 4.2A)
EPE  A 268 (-3.2A)
None
 1.05A 2zw9A-3pgvA:
undetectable		 2zw9A-3pgvA:
17.32
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.
2ZW9_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 12 ILE A 248
ASN A 251
GLY A 213
GLY A  11
LEU A 222
 None
None
None
GOL  A 272 ( 4.2A)
None
 1.19A 2zw9A-3pgvA:
undetectable		 2zw9A-3pgvA:
17.32
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 12 LEU A 206
ALA A 211
ALA A 199
VAL A 198
LEU A  56
 None
 1.09A 3b0wA-3pgvA:
undetectable		 3b0wA-3pgvA:
22.78
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 6 GLN A 162
LEU A 160
GLU A 161
LEU A 182
 None
 0.85A 3h5gA-3pgvA:
undetectable
3h5gC-3pgvA:
undetectable		 3h5gA-3pgvA:
7.81
3h5gC-3pgvA:
7.81
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 6 LYS A 191
LEU A 195
GLU A 196
LEU A 206
 EPE  A 268 (-3.1A)
None
None
None
 0.86A 3h5gA-3pgvA:
undetectable
3h5gC-3pgvA:
undetectable		 3h5gA-3pgvA:
7.81
3h5gC-3pgvA:
7.81
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 12 ILE A  58
LEU A  20
SER A  60
SER A   7
LEU A   9
 None
 1.19A 3k2hB-3pgvA:
2.9		 3k2hB-3pgvA:
21.04
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 7 PHE A 148
TYR A 106
TRP A 111
PHE A 129
 None
None
None
EDO  A 277 (-4.1A)
 0.93A 4grqA-3pgvA:
undetectable
4grqC-3pgvA:
undetectable		 4grqA-3pgvA:
18.18
4grqC-3pgvA:
18.18
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.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 12 THR A 103
ILE A 101
LEU A 160
PRO A 159
ILE A  94
 None
 0.85A 4p3qA-3pgvA:
undetectable		 4p3qA-3pgvA:
18.77
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.
4UCK_A_SAMA2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		3 / 3 SER A 190
ASP A 240
ASP A 218
 None
None
CA  A 267 ( 4.5A)
 0.74A 4uckA-3pgvA:
undetectable		 4uckA-3pgvA:
21.12
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.
5X6Y_A_SAMA901_0
(MRNA CAPPING ENZYME
P5)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 11 GLY A 192
ASP A   8
ALA A  41
SER A 190
ASN A 217
 None
CA  A 267 ( 2.6A)
None
None
EPE  A 268 (-3.1A)
 1.19A 5x6yA-3pgvA:
3.5		 5x6yA-3pgvA:
15.32
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.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 10 GLY A 192
ASP A   8
ALA A  41
SER A 190
ASN A 217
 None
CA  A 267 ( 2.6A)
None
None
EPE  A 268 (-3.1A)
 1.20A 5x6yB-3pgvA:
2.5		 5x6yB-3pgvA:
15.32
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.
6BQG_A_ERMA1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 5 VAL A 102
THR A 150
LEU A 133
LEU A 139
 None
 0.99A 6bqgA-3pgvA:
undetectable		 6bqgA-3pgvA:
13.68
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.
6MDQ_A_TESA604_0
(SERUM ALBUMIN)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 8 ALA A 225
GLY A 192
LEU A 195
ALA A   6
 None
 0.82A 6mdqA-3pgvA:
undetectable		 6mdqA-3pgvA:
14.80