SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'OXL'


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.
1QKN_A_RALA600_1
(ESTROGEN RECEPTOR
BETA)		 2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE
(Escherichia
coli) 		5 / 12 LEU A  64
THR A  65
ALA A  68
ILE A 162
ILE A  36
 OXL  A2001 ( 4.7A)
OXL  A2001 ( 4.5A)
None
None
None
 0.99A 1qknA-2eb5A:
undetectable		 1qknA-2eb5A:
21.18
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.
2A1O_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 1o4t PUTATIVE OXALATE
DECARBOXYLASE
(Thermotoga
maritima) 		4 / 8 PHE A 114
TYR A  70
GLY A  59
VAL A  29
 None
OXL  A 400 (-4.7A)
None
None
 0.79A 2a1oA-1o4tA:
undetectable		 2a1oA-1o4tA:
14.91
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.
2BNN_A_FCNA1199_1
(EPOXIDASE)		 1o4t PUTATIVE OXALATE
DECARBOXYLASE
(Thermotoga
maritima) 		5 / 9 LEU A  46
HIS A  63
GLU A  68
HIS A 102
ALA A 116
 None
MN  A 300 ( 3.2A)
MN  A 300 ( 2.7A)
MN  A 300 ( 3.4A)
OXL  A 400 ( 4.5A)
 1.33A 2bnnA-1o4tA:
12.2
2bnnB-1o4tA:
11.9		 2bnnA-1o4tA:
21.50
2bnnB-1o4tA:
21.50
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 1o4t PUTATIVE OXALATE
DECARBOXYLASE
(Thermotoga
maritima) 		5 / 8 LEU A  46
HIS A  63
GLU A  68
HIS A  61
ALA A 116
 None
MN  A 300 ( 3.2A)
MN  A 300 ( 2.7A)
MN  A 300 ( 3.3A)
OXL  A 400 ( 4.5A)
 1.50A 2bnnA-1o4tA:
12.2
2bnnB-1o4tA:
11.9		 2bnnA-1o4tA:
21.50
2bnnB-1o4tA:
21.50
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 1o4t PUTATIVE OXALATE
DECARBOXYLASE
(Thermotoga
maritima) 		5 / 8 LEU A  46
HIS A  63
GLU A  68
HIS A 102
ALA A 116
 None
MN  A 300 ( 3.2A)
MN  A 300 ( 2.7A)
MN  A 300 ( 3.4A)
OXL  A 400 ( 4.5A)
 1.34A 2bnnA-1o4tA:
12.2
2bnnB-1o4tA:
11.9		 2bnnA-1o4tA:
21.50
2bnnB-1o4tA:
21.50
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.
2BR4_E_SAME301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4lad E3 UBIQUITIN-PROTEIN
LIGASE AMFR
(Homo
sapiens) 		3 / 3 SER B 363
ASP B 340
CYH B 344
 None
OXL  B 703 (-4.9A)
None
 1.10A 2br4E-4ladB:
undetectable		 2br4E-4ladB:
17.15
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.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE
(Escherichia
coli) 		5 / 8 ARG A 104
GLY A  63
THR A 161
ALA A 167
ALA A 166
 None
OXL  A2001 ( 3.3A)
None
None
None
 1.48A 2ej3C-2eb5A:
undetectable		 2ej3C-2eb5A:
21.79
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		 1gq2 MALIC ENZYME
(Columba
livia) 		5 / 12 ASN A 466
VAL A 286
ALA A 289
VAL A 502
VAL A 522
 OXL  A1583 ( 3.4A)
None
None
None
None
 1.24A 2nniA-1gq2A:
0.0		 2nniA-1gq2A:
23.72
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.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Pseudomonas
sp.
CF600) 		4 / 7 SER A 171
HIS A  21
HIS A 202
TYR A 291
 OXL  A3508 (-2.4A)
None
MN  A3504 ( 3.4A)
OXL  A3508 (-4.6A)
 1.46A 2vmyA-1nvmA:
2.3
2vmyB-1nvmA:
2.4		 2vmyA-1nvmA:
23.42
2vmyB-1nvmA:
23.42
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.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Pseudomonas
sp.
CF600) 		5 / 12 ASP A  18
PHE A 294
TYR A 291
ASP A  53
HIS A 297
 MN  A3504 ( 2.7A)
None
OXL  A3508 (-4.6A)
None
None
 1.39A 2x2iA-1nvmA:
5.3		 2x2iA-1nvmA:
15.66
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.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Pseudomonas
sp.
CF600) 		5 / 12 ASP A  53
LEU A  90
ASN A 236
ASP A  18
PHE A 139
 None
None
MN  A3504 ( 4.2A)
MN  A3504 ( 2.7A)
OXL  A3508 (-4.7A)
 1.42A 2x2iA-1nvmA:
5.3		 2x2iA-1nvmA:
15.66
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.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A  16
PHE A 292
TYR A 289
ASP A  51
HIS A 295
 MN  A 402 ( 2.7A)
None
OXL  A 401 (-4.1A)
None
None
 1.41A 2x2iA-4jn6A:
7.5		 2x2iA-4jn6A:
15.35
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.
2X2I_B_QPSB1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Pseudomonas
sp.
CF600) 		5 / 12 ASP A  53
LEU A  90
ASN A 236
ASP A  18
PHE A 139
 None
None
MN  A3504 ( 4.2A)
MN  A3504 ( 2.7A)
OXL  A3508 (-4.7A)
 1.36A 2x2iB-1nvmA:
6.7		 2x2iB-1nvmA:
15.66
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 4l9z MALYL-COA LYASE
(Rhodobacter
sphaeroides) 		3 / 3 ARG A  76
GLU A  44
SER A 155
 OXL  A 402 ( 3.5A)
MG  A 403 ( 4.6A)
None
 0.83A 2xctD-4l9zA:
3.2		 2xctD-4l9zA:
19.55
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.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		 1gq2 MALIC ENZYME
(Columba
livia) 		3 / 3 ARG A 165
GLU A 361
SER A 420
 OXL  A1583 ( 2.8A)
None
NAP  A1581 ( 3.9A)
 0.74A 2xkkA-1gq2A:
4.1
2xkkC-1gq2A:
3.7		 2xkkA-1gq2A:
22.38
2xkkC-1gq2A:
22.38
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 4dbh 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Corynebacterium
glutamicum) 		4 / 8 ASP A 147
LYS A 164
GLY A 237
GLU A 118
 MG  A 401 ( 2.9A)
OXL  A 402 ( 2.5A)
OXL  A 402 (-3.6A)
MG  A 401 ( 2.6A)
 0.88A 2ys6A-4dbhA:
undetectable		 2ys6A-4dbhA:
25.90
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.
3BOY_A_HISA1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A  15
GLY A 223
ALA A 235
HIS A 198
HIS A 200
 OXL  A 401 (-2.7A)
None
None
MN  A 402 ( 3.5A)
MN  A 402 ( 3.4A)
 1.42A 3boyA-4jn6A:
undetectable
3boyC-4jn6A:
undetectable		 3boyA-4jn6A:
18.02
3boyC-4jn6A:
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.
3BOY_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 10 HIS A 200
ARG A  15
GLY A 223
ALA A 235
HIS A 198
 MN  A 402 ( 3.4A)
OXL  A 401 (-2.7A)
None
None
MN  A 402 ( 3.5A)
 1.43A 3boyA-4jn6A:
undetectable
3boyB-4jn6A:
undetectable		 3boyA-4jn6A:
18.02
3boyB-4jn6A:
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.
3BOY_A_HISA3001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 10 HIS A 200
ARG A  15
GLY A 223
ALA A 235
HIS A 198
 MN  A 402 ( 3.4A)
OXL  A 401 (-2.7A)
None
None
MN  A 402 ( 3.5A)
 1.42A 3boyB-4jn6A:
undetectable
3boyC-4jn6A:
undetectable		 3boyB-4jn6A:
18.02
3boyC-4jn6A:
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.
3DZG_B_NCAB302_0
(ADP-RIBOSYL CYCLASE
1)		 3cv2 MALATE SYNTHASE A
(Escherichia
coli) 		4 / 7 LEU A 248
GLU A 250
ASP A 278
THR A  95
 OXL  A1000 ( 4.7A)
MG  A   1 ( 2.6A)
MG  A   1 ( 3.1A)
None
 1.26A 3dzgB-3cv2A:
2.5		 3dzgB-3cv2A:
20.77
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.
3J7Z_A_ERYA9000_0
(23S RRNA
50S RIBOSOMAL
PROTEIN L22
ERMCL NASCENT CHAIN)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		3 / 3 LYS B 188
ILE A 110
PHE A 137
 None
None
OXL  A 401 (-4.5A)
 0.74A 3j7zS-4jn6B:
undetectable
3j7za-4jn6B:
undetectable		 3j7zS-4jn6B:
15.51
3j7za-4jn6B:
6.38
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.
3JB2_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 1gq2 MALIC ENZYME
(Columba
livia) 		5 / 12 GLU A 361
PRO A 360
GLY A 313
ARG A 165
ASN A 261
 None
None
NAP  A1581 (-3.3A)
OXL  A1583 ( 2.8A)
None
 1.43A 3jb2A-1gq2A:
0.0		 3jb2A-1gq2A:
18.87
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.
3KK6_A_CELA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		5 / 6 HIS A  63
SER A  42
LEU A   7
ILE A  39
LEU A 184
 None
OXL  A 291 (-2.5A)
None
None
None
 1.21A 3kk6A-2duaA:
undetectable		 3kk6A-2duaA:
18.81
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.
3KO0_S_TFPS201_1
(PROTEIN S100-A4)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 7 PHE A 124
GLY A 131
MET A  87
PHE A 137
 None
None
None
OXL  A 401 (-4.5A)
 1.04A 3ko0K-4jn6A:
undetectable
3ko0S-4jn6A:
undetectable		 3ko0K-4jn6A:
14.93
3ko0S-4jn6A:
14.93
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.
3KO0_T_TFPT201_1
(PROTEIN S100-A4)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 7 PHE A 124
GLY A 131
MET A  87
PHE A 137
 None
None
None
OXL  A 401 (-4.5A)
 1.00A 3ko0R-4jn6A:
undetectable
3ko0T-4jn6A:
undetectable		 3ko0R-4jn6A:
14.93
3ko0T-4jn6A:
14.93
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.
3SUD_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1gq2 MALIC ENZYME
(Columba
livia) 		5 / 12 GLY A 192
GLY A 477
ALA A 475
SER A 285
ASP A 278
 None
None
None
None
OXL  A1583 ( 4.6A)
 0.93A 3sudD-1gq2A:
undetectable		 3sudD-1gq2A:
15.57
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.
3UG8_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 1ryo SEROTRANSFERRIN
(Homo
sapiens) 		3 / 3 TYR A 223
GLU A 212
TYR A 188
 None
None
OXL  A 328 ( 3.7A)
 1.02A 3ug8A-1ryoA:
undetectable		 3ug8A-1ryoA:
21.43
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.
4A97_C_ZPCC1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 12 PHE A 137
VAL A 135
ILE A 107
HIS A 198
VAL A  44
 OXL  A 401 (-4.5A)
None
None
MN  A 402 ( 3.5A)
None
 1.24A 4a97B-4jn6A:
undetectable
4a97C-4jn6A:
undetectable		 4a97B-4jn6A:
20.79
4a97C-4jn6A:
20.79
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.
4E1G_A_LNLA701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1gq2 MALIC ENZYME
(Columba
livia) 		4 / 5 ARG A 165
VAL A 392
LEU A 419
SER A 420
 OXL  A1583 ( 2.8A)
NAP  A1581 (-4.3A)
NAP  A1581 (-4.4A)
NAP  A1581 ( 3.9A)
 1.26A 4e1gA-1gq2A:
0.0		 4e1gA-1gq2A:
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.
4EJG_D_NCTD501_1
(CYTOCHROME P450 2A13)		 3hq9 CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		4 / 6 PHE A 158
ASN A 173
ALA A 175
LEU A  65
 None
None
None
OXL  A 348 ( 3.9A)
 1.04A 4ejgD-3hq9A:
undetectable		 4ejgD-3hq9A:
24.24
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Pseudomonas
sp.
CF600) 		4 / 6 GLY A 324
GLY A 323
MET A 141
ILE A  93
 None
None
OXL  A3508 (-3.6A)
None
 0.99A 4fglD-1nvmA:
undetectable		 4fglD-1nvmA:
20.74
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.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		 2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE
(Escherichia
coli) 		4 / 6 GLY A 238
ASN A 168
GLU A 139
GLN A  70
 OXL  A2001 ( 3.6A)
None
MG  A1001 ( 3.0A)
None
 1.03A 4g0vB-2eb5A:
undetectable		 4g0vB-2eb5A:
16.80
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.
4HYF_A_NCAA1201_0
(TANKYRASE-2)		 1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Pseudomonas
sp.
CF600) 		4 / 7 GLY A 172
ALA A 232
SER A 292
TYR A 291
 None
None
None
OXL  A3508 (-4.6A)
 0.91A 4hyfA-1nvmA:
undetectable		 4hyfA-1nvmA:
20.40
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.
4HYF_B_NCAB1201_0
(TANKYRASE-2)		 1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Pseudomonas
sp.
CF600) 		4 / 8 GLY A 172
ALA A 232
SER A 292
TYR A 291
 None
None
None
OXL  A3508 (-4.6A)
 0.92A 4hyfB-1nvmA:
undetectable		 4hyfB-1nvmA:
20.40
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.
4HYF_C_NCAC1201_0
(TANKYRASE-2)		 1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Pseudomonas
sp.
CF600) 		4 / 8 GLY A 172
ALA A 232
SER A 292
TYR A 291
 None
None
None
OXL  A3508 (-4.6A)
 0.90A 4hyfC-1nvmA:
undetectable		 4hyfC-1nvmA:
20.40
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3b8i PA4872 OXALOACETATE
DECARBOXYLASE
(Pseudomonas
aeruginosa) 		4 / 8 PHE A 239
SER A  27
SER A  50
TYR A 238
 None
None
OXL  A 288 (-2.5A)
None
 1.17A 4lv9A-3b8iA:
4.2
4lv9B-3b8iA:
5.6		 4lv9A-3b8iA:
20.79
4lv9B-3b8iA:
20.79
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3b8i PA4872 OXALOACETATE
DECARBOXYLASE
(Pseudomonas
aeruginosa) 		4 / 7 TYR A 238
PHE A 239
SER A  27
SER A  50
 None
None
None
OXL  A 288 (-2.5A)
 1.16A 4lv9A-3b8iA:
4.1
4lv9B-3b8iA:
5.4		 4lv9A-3b8iA:
20.79
4lv9B-3b8iA:
20.79
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.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		 3b8i PA4872 OXALOACETATE
DECARBOXYLASE
(Pseudomonas
aeruginosa) 		4 / 5 LEU A  47
GLY A  48
ILE A  65
GLN A  73
 None
OXL  A 288 ( 3.7A)
None
None
 1.15A 4ma8C-3b8iA:
undetectable		 4ma8C-3b8iA:
17.59
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)		 1ryo SEROTRANSFERRIN
(Homo
sapiens) 		3 / 3 SER A 125
ASP A  47
ASP A  69
 OXL  A 328 ( 4.6A)
None
None
 0.73A 4uckA-1ryoA:
undetectable		 4uckA-1ryoA:
21.38
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.
4XJ7_A_ADNA303_1
(5'/3'-NUCLEOTIDASE
SURE)		 1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Pseudomonas
sp.
CF600) 		5 / 10 GLY A  54
ASP A  18
ALA A 169
LEU A  88
LEU A  90
 None
MN  A3504 ( 2.7A)
OXL  A3508 ( 4.0A)
None
None
 1.15A 4xj7A-1nvmA:
undetectable
4xj7B-1nvmA:
undetectable		 4xj7A-1nvmA:
22.61
4xj7B-1nvmA:
22.61
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.
5TT3_H_EZLH303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1o4t PUTATIVE OXALATE
DECARBOXYLASE
(Thermotoga
maritima) 		5 / 8 HIS A  63
HIS A 102
HIS A  61
LEU A  46
ALA A 116
 MN  A 300 ( 3.2A)
MN  A 300 ( 3.4A)
MN  A 300 ( 3.3A)
None
OXL  A 400 ( 4.5A)
 1.45A 5tt3H-1o4tA:
undetectable		 5tt3H-1o4tA:
19.40
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.
5UC1_B_486B801_2
(GLUCOCORTICOID
RECEPTOR)		 3cv2 MALATE SYNTHASE A
(Escherichia
coli) 		5 / 12 LEU A 248
ASN A 273
LEU A 247
GLY A 271
VAL A 270
 OXL  A1000 ( 4.7A)
None
None
None
None
 1.09A 5uc1B-3cv2A:
undetectable		 5uc1B-3cv2A:
9.06
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.
6EU9_B_REAB601_1
(RETINOIC ACID
RECEPTOR)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A  15
VAL A  47
GLY A  17
GLY A  31
VAL A  34
 OXL  A 401 (-2.7A)
None
None
None
None
 1.23A 6eu9B-4jn6A:
undetectable		 6eu9B-4jn6A:
15.06
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.
6MN5_D_LLLD301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1gq2 MALIC ENZYME
(Columba
livia) 		4 / 6 ARG A 165
GLU A 314
ASP A 279
GLU A 255
 OXL  A1583 ( 2.8A)
NAP  A1581 (-3.3A)
MN  A1584 ( 3.1A)
MN  A1584 ( 3.3A)
 1.44A 6mn5D-1gq2A:
1.3		 6mn5D-1gq2A:
10.52