SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4lrs'

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.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 11 ASP A 174
SER A 175
GLY A 321
GLY A 290
GLN A 289
 None
PYR  A 402 (-2.6A)
None
None
None
 1.45A 1jr1A-4lrsA:
6.9		 1jr1A-4lrsA:
23.70
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.
1MZ9_A_VDYA1002_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		4 / 5 LEU B 258
VAL B 279
ALA B 167
CYH B 227
 CL  B 402 (-4.8A)
CL  B 402 (-3.8A)
None
None
 1.14A 1mz9D-4lrsB:
undetectable		 1mz9D-4lrsB:
9.27
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.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 THR A  16
GLY A 229
GLY A 205
VAL A  48
ARG A  21
 None
None
None
None
PYR  A 402 (-2.5A)
 1.32A 1n2xA-4lrsA:
undetectable		 1n2xA-4lrsA:
23.10
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.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata;
Thermomonospora
curvata) 		5 / 12 THR B 190
GLU B 168
GLY B 206
VAL B 170
GLY A  98
 None
 0.96A 1n2xB-4lrsB:
6.6		 1n2xB-4lrsB:
21.59
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.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 ILE A 195
GLY A 166
ASP A 164
ALA A 132
SER A 126
 None
 1.31A 1nbhC-4lrsA:
undetectable		 1nbhC-4lrsA:
20.90
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		5 / 11 GLY B 295
VAL B 283
GLU B 282
ASP B 298
ILE B 299
 None
None
GOL  B 406 ( 4.7A)
None
None
 1.24A 1pk9C-4lrsB:
2.6		 1pk9C-4lrsB:
21.27
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.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		4 / 5 TYR B 107
PRO B 139
THR B  95
THR B 118
 None
None
NAD  B 401 (-4.1A)
NAD  B 401 (-4.0A)
 1.04A 1ymxB-4lrsB:
undetectable		 1ymxB-4lrsB:
21.53
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.
2AOH_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		4 / 5 LEU B 101
GLY B 181
PRO B 119
ALA B 120
 None
PEG  B 409 ( 3.5A)
NAD  B 401 (-4.8A)
None
 0.93A 2aohA-4lrsB:
undetectable		 2aohA-4lrsB:
14.79
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.
2EJT_A_SAMA501_0
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 LEU A  92
ALA A  90
ILE A  51
ILE A 116
ALA A 117
 None
None
None
None
PYR  A 402 ( 4.7A)
 1.22A 2ejtA-4lrsA:
undetectable		 2ejtA-4lrsA:
22.89
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.
2F8G_B_017B401_1
(POL POLYPROTEIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		5 / 12 GLY B 206
VAL B 225
GLY B 201
VAL B 200
ILE B 169
 None
 0.89A 2f8gA-4lrsB:
undetectable		 2f8gA-4lrsB:
13.96
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.
2PXC_A_SAMA500_0
(GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)])		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.25A 2pxcA-4lrsB:
undetectable		 2pxcA-4lrsB:
21.19
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.
2VDY_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 SER A  18
THR A 249
PHE A 250
ILE A 227
SER A 216
 None
 1.41A 2vdyB-4lrsA:
undetectable		 2vdyB-4lrsA:
22.50
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.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		4 / 7 SER A 175
HIS A  25
HIS A 206
TYR A 295
 PYR  A 402 (-2.6A)
None
MG  A 404 ( 3.4A)
PYR  A 402 (-4.4A)
 1.45A 2vmyA-4lrsA:
undetectable
2vmyB-4lrsA:
2.3		 2vmyA-4lrsA:
23.20
2vmyB-4lrsA:
23.20
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)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 ASP A  22
PHE A 298
TYR A 295
ASP A  57
HIS A 301
 MG  A 404 ( 2.7A)
None
PYR  A 402 (-4.4A)
None
None
 1.38A 2x2iA-4lrsA:
4.4		 2x2iA-4lrsA:
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 LEU A 103
ALA A 106
ALA A 111
VAL A  50
GLU A 139
 None
 1.13A 3cwkA-4lrsA:
undetectable		 3cwkA-4lrsA:
16.34
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 LEU A 103
ALA A 106
VAL A  50
VAL A  77
GLU A 139
 None
 1.06A 3cwkA-4lrsA:
undetectable		 3cwkA-4lrsA:
16.34
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.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 ALA A 267
ALA A  42
ALA A 264
VAL A  53
ILE A  89
 PEG  A 410 (-3.6A)
PEG  A 410 (-3.4A)
None
None
None
 1.08A 3e00A-4lrsA:
undetectable		 3e00A-4lrsA:
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.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata;
Thermomonospora
curvata) 		5 / 12 GLY A  60
ASP A  57
ASP A 102
GLN A 128
THR B 190
 None
 1.02A 3eeyJ-4lrsA:
undetectable		 3eeyJ-4lrsA:
19.22
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.
3ELW_A_SAMA4633_0
(METHYLTRANSFERASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.40A 3elwA-4lrsB:
3.2		 3elwA-4lrsB:
23.46
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.
3ELW_A_SAMA4633_0
(METHYLTRANSFERASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
LEU B  39
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.42A 3elwA-4lrsB:
3.2		 3elwA-4lrsB:
23.46
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.
3EMB_A_SAMA4633_0
(METHYLTRANSFERASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata;
Thermomonospora
curvata) 		5 / 12 GLY A  96
GLY A  98
GLY A  58
ASN B 185
ILE B 210
 None
None
None
NAD  B 401 (-3.0A)
None
 0.89A 3embA-4lrsA:
undetectable		 3embA-4lrsA:
undetectable
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 HIS A  25
VAL A 326
GLY A 327
HIS A 206
VAL A 173
 None
None
None
MG  A 404 ( 3.4A)
None
 1.39A 3f8wB-4lrsA:
undetectable		 3f8wB-4lrsA:
19.22
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.
3FI0_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		4 / 8 VAL B 249
ILE B 242
VAL B 279
VAL B 225
 None
None
CL  B 402 (-3.8A)
None
 0.66A 3fi0B-4lrsB:
undetectable		 3fi0B-4lrsB:
23.08
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.
3FI0_G_TRPG1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		4 / 8 VAL B 249
ILE B 242
VAL B 279
VAL B 225
 None
None
CL  B 402 (-3.8A)
None
 0.69A 3fi0G-4lrsB:
undetectable		 3fi0G-4lrsB:
23.08
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.
3FI0_Q_TRPQ1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		4 / 8 VAL B 249
ILE B 242
VAL B 279
VAL B 225
 None
None
CL  B 402 (-3.8A)
None
 0.65A 3fi0Q-4lrsB:
undetectable		 3fi0Q-4lrsB:
23.08
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)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata;
Thermomonospora
curvata) 		3 / 3 LYS B 207
ILE A 116
PHE A 143
 None
None
PYR  A 402 (-4.7A)
 0.72A 3j7zS-4lrsB:
undetectable
3j7za-4lrsB:
undetectable		 3j7zS-4lrsB:
14.24
3j7za-4lrsB:
4.78
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.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		5 / 9 GLY B 206
VAL B 225
GLY B 201
VAL B 200
ILE B 169
 None
 0.86A 3oxvC-4lrsB:
undetectable		 3oxvC-4lrsB:
16.29
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.
3OXX_A_DR7A100_1
(HIV-1 PROTEASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		5 / 12 GLY B 206
VAL B 225
GLY B 201
VAL B 200
ILE B 169
 None
 0.92A 3oxxA-4lrsB:
undetectable		 3oxxA-4lrsB:
15.15
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.
3P97_A_SAMA263_0
(NON-STRUCTURAL
PROTEIN 5)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.24A 3p97A-4lrsB:
3.8		 3p97A-4lrsB:
20.71
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.
3P97_C_SAMC263_0
(NON-STRUCTURAL
PROTEIN 5)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.24A 3p97C-4lrsB:
3.9		 3p97C-4lrsB:
20.71
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.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		5 / 11 GLY B 295
VAL B 283
GLU B 282
ASP B 298
ILE B 299
 None
None
GOL  B 406 ( 4.7A)
None
None
 1.19A 3uawA-4lrsB:
undetectable		 3uawA-4lrsB:
20.47
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.
3W9T_C_W9TC1002_1
(HEMOLYTIC LECTIN
CEL-III)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		4 / 5 ASP A  57
GLY A 327
TYR A  66
GLU A 330
 None
 1.37A 3w9tC-4lrsA:
undetectable		 3w9tC-4lrsA:
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.
3W9T_D_W9TD512_1
(HEMOLYTIC LECTIN
CEL-III)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		4 / 5 ASP A  57
GLY A 327
TYR A  66
GLU A 330
 None
 1.37A 3w9tD-4lrsA:
undetectable		 3w9tD-4lrsA:
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.
4BB2_B_STRB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 11 ALA A 230
SER A  18
THR A 249
PHE A 250
ILE A 227
 None
 1.24A 4bb2A-4lrsA:
undetectable
4bb2B-4lrsA:
undetectable		 4bb2A-4lrsA:
21.66
4bb2B-4lrsA:
9.68
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.
4C49_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 ALA A 230
SER A  18
THR A 249
PHE A 250
ILE A 227
 None
 1.30A 4c49A-4lrsA:
undetectable		 4c49A-4lrsA:
22.50
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.
4CTJ_A_SAMA1263_0
(NON-STRUCTURAL
PROTEIN 5)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.20A 4ctjA-4lrsB:
undetectable		 4ctjA-4lrsB:
19.53
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.
4CTJ_C_SAMC1263_0
(NON-STRUCTURAL
PROTEIN 5)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.24A 4ctjC-4lrsB:
3.8		 4ctjC-4lrsB:
19.53
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.
4CTK_A_SAMA1263_0
(POLYPROTEIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.22A 4ctkA-4lrsB:
3.3		 4ctkA-4lrsB:
19.53
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.
4CTK_C_SAMC1263_0
(POLYPROTEIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.24A 4ctkC-4lrsB:
3.8		 4ctkC-4lrsB:
19.53
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.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata;
Thermomonospora
curvata) 		5 / 12 GLU B 168
PHE A  68
ASP A  57
ARG B 205
ILE B 209
 None
 1.48A 4djeA-4lrsB:
undetectable		 4djeA-4lrsB:
24.05
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.
4DUB_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		4 / 6 ALA B  99
GLY B  30
PRO B  31
VAL B  29
 NAD  B 401 ( 3.7A)
NAD  B 401 (-3.3A)
NAD  B 401 (-3.7A)
NAD  B 401 (-4.7A)
 1.05A 4dubA-4lrsB:
undetectable		 4dubA-4lrsB:
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		5 / 12 ALA B 250
ILE B 220
ASP B 288
GLY B 285
GLY B 287
 None
 1.14A 4hfpB-4lrsB:
undetectable		 4hfpB-4lrsB:
20.90
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		3 / 3 ASP B  37
ARG B 284
THR B 301
 None
 0.89A 4i13A-4lrsB:
2.3		 4i13A-4lrsB:
21.23
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.
4OAE_A_CLMA207_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 ARG A 149
ALA A 147
ALA A 178
GLY A 177
LEU A 179
 None
 0.98A 4oaeA-4lrsA:
undetectable		 4oaeA-4lrsA:
20.45
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.
4OJB_A_198A1001_2
(ANDROGEN RECEPTOR)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		4 / 7 LEU A 253
ILE A  15
ILE A 227
VAL A  13
 None
 0.75A 4ojbA-4lrsA:
undetectable		 4ojbA-4lrsA:
21.15
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		3 / 3 ASP B  37
ARG B 284
THR B 301
 None
 0.86A 4p3rA-4lrsB:
3.5		 4p3rA-4lrsB:
21.23
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.
4ZO1_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 ILE A 116
ALA A 106
ARG A 105
LEU A  59
PHE A 130
 None
 1.49A 4zo1X-4lrsA:
undetectable		 4zo1X-4lrsA:
21.39
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.
4ZO1_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 ILE A 116
MET A 138
ALA A 106
ARG A 105
LEU A  59
 None
PEG  A 406 ( 4.9A)
None
None
None
 1.48A 4zo1X-4lrsA:
undetectable		 4zo1X-4lrsA:
21.39
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.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 GLY A 290
LEU A 179
LEU A 317
GLY A 237
GLY A 212
 None
 1.08A 5d4uA-4lrsA:
undetectable		 5d4uA-4lrsA:
22.10
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.
5D4U_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 GLY A 229
ILE A 245
GLY A 212
GLY A 202
PHE A 250
 None
 1.03A 5d4uB-4lrsA:
undetectable		 5d4uB-4lrsA:
22.10
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.
5E9Q_A_SAMA301_0
(GENOME POLYPROTEIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.22A 5e9qA-4lrsB:
undetectable		 5e9qA-4lrsB:
20.35
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.
5E9Q_C_SAMC4000_0
(GENOME POLYPROTEIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.25A 5e9qC-4lrsB:
undetectable		 5e9qC-4lrsB:
20.35
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.
5EC8_A_SAMA301_0
(GENOME POLYPROTEIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.23A 5ec8A-4lrsB:
undetectable		 5ec8A-4lrsB:
19.53
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.
5EC8_C_SAMC4000_0
(GENOME POLYPROTEIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.22A 5ec8C-4lrsB:
3.9		 5ec8C-4lrsB:
19.53
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.
5EHG_A_SAMA301_0
(RNA-DIRECTED RNA
POLYMERASE NS5)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.21A 5ehgA-4lrsB:
3.8		 5ehgA-4lrsB:
19.53
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.
5EHG_C_SAMC4001_0
(RNA-DIRECTED RNA
POLYMERASE NS5)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.26A 5ehgC-4lrsB:
undetectable		 5ehgC-4lrsB:
19.53
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.
5EIF_A_SAMA301_0
(GENOME POLYPROTEIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.21A 5eifA-4lrsB:
undetectable		 5eifA-4lrsB:
19.53
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.
5EIF_C_SAMC4000_0
(GENOME POLYPROTEIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.24A 5eifC-4lrsB:
undetectable		 5eifC-4lrsB:
19.53
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.
5EIW_C_SAMC4000_0
(NS5
METHYLTRANSFERASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.24A 5eiwC-4lrsB:
3.8		 5eiwC-4lrsB:
19.53
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.
5EKX_B_SAMB4000_0
(NS5
METHYLTRANSFERASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.23A 5ekxB-4lrsB:
3.6		 5ekxB-4lrsB:
19.53
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.
5HBS_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		4 / 8 LEU A 155
LEU A 146
TYR A 171
MET A 162
 None
 1.12A 5hbsA-4lrsA:
undetectable		 5hbsA-4lrsA:
16.81
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.
5IKM_A_SAMA311_0
(NS5 METHYL
TRANSFERASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.26A 5ikmA-4lrsB:
3.7		 5ikmA-4lrsB:
23.60
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.
5JNC_D_ACTD305_0
(CARBONIC ANHYDRASE 4)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 5 PRO A 312
ALA A 313
ALA A 306
ILE A 316
LEU A 340
 None
 1.47A 5jncD-4lrsA:
undetectable		 5jncD-4lrsA:
20.27
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.
5KQR_A_SAMA301_0
(METHYLTRANSFERASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.28A 5kqrA-4lrsB:
undetectable		 5kqrA-4lrsB:
20.99
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.
5KQS_A_SAMA307_0
(GENOME POLYPROTEIN)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.26A 5kqsA-4lrsB:
undetectable		 5kqsA-4lrsB:
20.99
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.
5M5B_A_SAMA1001_0
(NS5
METHYLTRANSFERASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.29A 5m5bA-4lrsB:
3.7		 5m5bA-4lrsB:
22.67
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata;
Thermomonospora
curvata) 		4 / 6 GLN A 329
CYH B 146
THR B 145
PHE B 189
 None
NAD  B 401 (-3.7A)
None
None
 1.49A 5mwyA-4lrsA:
undetectable		 5mwyA-4lrsA:
19.72
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.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		4 / 6 HIS A  25
HIS A 204
HIS A 206
LEU A  92
 None
MG  A 404 ( 3.4A)
MG  A 404 ( 3.4A)
None
 1.09A 5nelB-4lrsA:
3.8
5nelC-4lrsA:
4.2		 5nelB-4lrsA:
21.67
5nelC-4lrsA:
21.67
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.
5NJV_A_SAMA301_0
(NS5)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.22A 5njvA-4lrsB:
4.0		 5njvA-4lrsB:
20.00
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.
5NJV_B_SAMB301_0
(NS5)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.23A 5njvB-4lrsB:
3.6		 5njvB-4lrsB:
20.00
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.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		5 / 10 ARG B  67
ALA B  73
GLY B  70
ILE B 115
LEU B 311
 None
 1.25A 5oy01-4lrsB:
undetectable
5oy07-4lrsB:
undetectable		 5oy01-4lrsB:
13.22
5oy07-4lrsB:
9.21
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.
5VOO_B_C2FB702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		4 / 5 ASP A 331
ASN A  65
ASP A  57
ARG A 149
 None
 1.28A 5vooB-4lrsA:
15.2		 5vooB-4lrsA:
23.16
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.
5VOO_D_C2FD3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		4 / 5 ASP A 331
ASN A  65
ASP A  57
ARG A 149
 None
 1.32A 5vooD-4lrsA:
15.0		 5vooD-4lrsA:
23.16
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.
5WZ1_B_SAMB601_0
(NS5
METHYLTRANSFERASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.22A 5wz1B-4lrsB:
4.0		 5wz1B-4lrsB:
22.32
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.
5WZ2_A_SAMA601_0
(NS5 MTASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.23A 5wz2A-4lrsB:
undetectable		 5wz2A-4lrsB:
22.32
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.
5WZ2_B_SAMB601_0
(NS5 MTASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.20A 5wz2B-4lrsB:
4.0		 5wz2B-4lrsB:
22.32
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.
5WZ2_C_SAMC601_0
(NS5 MTASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		6 / 12 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.23A 5wz2C-4lrsB:
3.6		 5wz2C-4lrsB:
22.32
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.
6DH6_A_017A104_0
(PROTEASE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		5 / 12 GLY B 206
VAL B 225
GLY B 201
VAL B 200
ILE B 169
 None
 0.95A 6dh6A-4lrsB:
undetectable		 6dh6A-4lrsB:
14.19
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.
6DHB_A_BEZA202_0
(HEPATITIS A VIRUS
CELLULAR RECEPTOR 2)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		4 / 6 ILE B 144
MET B 143
ASN B 142
ASP B 116
 None
 1.35A 6dhbA-4lrsB:
undetectable		 6dhbA-4lrsB:
16.33
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.
6EXI_A_ADNA503_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		5 / 10 GLY B  30
GLY B  32
VAL B  56
ASP B  57
THR B  95
 NAD  B 401 (-3.3A)
NAD  B 401 (-3.2A)
NAD  B 401 (-4.3A)
None
NAD  B 401 (-4.1A)
 0.67A 6exiA-4lrsB:
7.2		 6exiA-4lrsB:
16.48
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.
6EXI_C_ADNC503_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		5 / 12 GLY B  30
GLY B  32
VAL B  56
ASP B  57
THR B  95
 NAD  B 401 (-3.3A)
NAD  B 401 (-3.2A)
NAD  B 401 (-4.3A)
None
NAD  B 401 (-4.1A)
 0.68A 6exiC-4lrsB:
7.4
6exiD-4lrsB:
7.4		 6exiC-4lrsB:
16.48
6exiD-4lrsB:
16.48
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.
6EXI_D_ADND503_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lrs ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata) 		5 / 12 GLY B  30
GLY B  32
VAL B  56
ASP B  57
THR B  95
 NAD  B 401 (-3.3A)
NAD  B 401 (-3.2A)
NAD  B 401 (-4.3A)
None
NAD  B 401 (-4.1A)
 0.66A 6exiC-4lrsB:
7.4
6exiD-4lrsB:
7.4		 6exiC-4lrsB:
16.48
6exiD-4lrsB:
16.48