SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jn6'

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.
1D0V_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 8 GLY A 199
GLY A 231
SER A 290
GLY A 229
 None
 0.66A 1d0vA-4jn6A:
2.7		 1d0vA-4jn6A:
25.00
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.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 VAL B 178
GLY B 182
GLY B 187
LEU B 257
VAL B 258
 None
 0.96A 1fduA-4jn6B:
7.2		 1fduA-4jn6B:
21.76
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.
1JG2_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY B 182
ILE B 135
GLY B 177
ALA B 184
VAL B 145
 None
 1.04A 1jg2A-4jn6B:
undetectable		 1jg2A-4jn6B:
23.03
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.
1JG2_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY B 182
ILE B 206
GLY B 177
ALA B 184
VAL B 145
 None
 1.08A 1jg2A-4jn6B:
undetectable		 1jg2A-4jn6B:
23.03
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.
1JHA_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 8 GLY A 199
GLY A 231
SER A 290
GLY A 229
 None
 0.67A 1jhaA-4jn6A:
2.9		 1jhaA-4jn6A:
25.00
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.
1N4F_A_ASRA140_0
(LYSOZYME C)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 ASN B  14
ALA B 275
ASN B 277
 None
 0.82A 1n4fA-4jn6B:
undetectable		 1n4fA-4jn6B:
18.09
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.
1SBR_A_VIBA502_1
(YKOF)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 6 PHE A 124
ALA A 159
ILE A 155
SER A 120
 None
 1.08A 1sbrA-4jn6A:
undetectable
1sbrB-4jn6A:
undetectable		 1sbrA-4jn6A:
21.37
1sbrB-4jn6A:
21.37
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.
1UTD_L_TRPL81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY B 128
ALA B 189
THR B 132
GLY B 182
ALA B 175
 None
 1.00A 1utdL-4jn6B:
undetectable
1utdM-4jn6B:
undetectable		 1utdL-4jn6B:
14.09
1utdM-4jn6B:
14.09
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.
1UTD_O_TRPO81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY B 128
ALA B 189
THR B 132
GLY B 182
ALA B 175
 None
 1.02A 1utdO-4jn6B:
undetectable
1utdP-4jn6B:
undetectable		 1utdO-4jn6B:
14.09
1utdP-4jn6B:
14.09
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)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 5 TYR B  88
PRO B 120
THR B  76
THR B  99
 None
 1.10A 1ymxB-4jn6B:
undetectable		 1ymxB-4jn6B:
25.39
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.
2KOT_B_ANWB99_0
(PROTEIN S100-A13)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 8 ALA B  75
THR B 282
THR B 286
ASP B  97
 None
 1.09A 2kotB-4jn6B:
undetectable		 2kotB-4jn6B:
13.40
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.
2OKC_A_SAMA500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 ILE B 133
ALA B 185
GLY B 187
GLY B 177
PRO B 146
 None
 1.11A 2okcA-4jn6B:
3.2		 2okcA-4jn6B:
22.75
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.
2OKC_B_SAMB500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 ILE B 133
ALA B 185
GLY B 187
GLY B 177
PRO B 146
 None
 1.11A 2okcB-4jn6B:
3.4		 2okcB-4jn6B:
22.75
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.
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.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 TYR B 237
ILE B 133
GLY B 129
GLY B 177
THR B 132
 None
 1.06A 3bwcA-4jn6B:
4.7		 3bwcA-4jn6B:
23.56
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.
3ERD_B_DESB800_1
(ESTROGEN RECEPTOR
ALPHA)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 10 ALA A 280
LEU A 203
LEU A 281
HIS A 142
MET A 140
 None
 1.37A 3erdB-4jn6A:
undetectable		 3erdB-4jn6A:
21.75
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.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 ASN B 241
VAL B 151
ILE A 328
PHE B 207
THR B 132
 None
 1.23A 3fl9C-4jn6B:
undetectable		 3fl9C-4jn6B:
22.04
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.
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_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 ILE B 133
GLY B 129
GLY B 128
ALA B 152
ALA B 175
 None
 0.96A 3jb2A-4jn6B:
2.8		 3jb2A-4jn6B:
15.47
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.
3JB2_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 ILE B 181
GLY B 182
GLY B 183
ALA B 185
ALA B 175
 None
 0.95A 3jb2A-4jn6B:
2.8		 3jb2A-4jn6B:
15.47
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.
3KKZ_B_SAMB302_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 171
GLY A 229
GLY A 231
SER A  18
GLU A 201
 None
 0.99A 3kkzB-4jn6A:
undetectable		 3kkzB-4jn6A:
22.44
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.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 171
GLY A 199
ALA A 280
LEU A 173
LEU A 203
 None
 0.98A 3mteB-4jn6A:
undetectable		 3mteB-4jn6A:
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.
3NU4_B_478B401_2
(PROTEASE)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 9 GLY B 187
ILE B 206
GLY B 182
ILE B 181
ILE B 150
 None
 0.89A 3nu4B-4jn6B:
undetectable		 3nu4B-4jn6B:
15.77
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 171
GLY A 199
ALA A 280
LEU A 173
LEU A 203
 None
 0.95A 3p2kA-4jn6A:
undetectable		 3p2kA-4jn6A:
22.03
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.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 171
GLY A 199
ALA A 280
LEU A 173
LEU A 203
 None
 1.00A 3p2kD-4jn6A:
undetectable		 3p2kD-4jn6A:
22.03
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.
3S43_A_478A401_2
(PROTEASE)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 10 GLY B 187
ILE B 206
GLY B 182
ILE B 181
ILE B 150
 None
 0.89A 3s43B-4jn6B:
undetectable		 3s43B-4jn6B:
18.00
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.
3SJ1_X_DXCX75_0
(CYTOCHROME C7)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 6 ILE A 330
LEU A 327
PHE A 292
GLY A 321
 None
 0.93A 3sj1X-4jn6A:
undetectable		 3sj1X-4jn6A:
11.94
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.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 GLY B 276
VAL B 264
GLU B 263
ASP B 279
ILE B 280
 None
 1.24A 3uawA-4jn6B:
2.1		 3uawA-4jn6B:
21.74
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.
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.
4AQ7_A_LEUA902_0
(LEUCINE--TRNA LIGASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 7 MET A  87
LEU A  53
ASP A  96
HIS A 123
 None
 1.32A 4aq7A-4jn6A:
undetectable		 4aq7A-4jn6A:
17.63
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.
4HBF_A_DXCA75_0
(PPCA)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A 330
LEU A 327
PHE A 292
GLY A 321
 None
 0.96A 4hbfA-4jn6A:
undetectable		 4hbfA-4jn6A:
11.04
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.
4L8F_D_MTXD301_1
(GAMMA-GLUTAMYL
HYDROLASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 287
GLY A 315
ALA A 170
GLN A 323
HIS A 142
 None
 1.09A 4l8fD-4jn6A:
undetectable		 4l8fD-4jn6A:
20.80
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.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 10 ALA B 119
ILE B 292
VAL B 288
ALA B  95
ILE B  96
 None
 1.08A 4lbgA-4jn6B:
5.9		 4lbgA-4jn6B:
21.96
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.
4LBG_B_ADNB402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 9 ALA B 119
ILE B 292
VAL B 288
ALA B  95
ILE B  96
 None
 0.99A 4lbgB-4jn6B:
5.8		 4lbgB-4jn6B:
21.96
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.
4MI4_A_SPMA201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 6 ASN A 103
GLU A  69
GLU A  67
GLU A  99
 None
 1.35A 4mi4A-4jn6A:
undetectable		 4mi4A-4jn6A:
18.42
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.
4MJ8_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 7 ASN A 103
GLU A  69
GLU A  67
GLU A  99
 None
 1.33A 4mj8C-4jn6A:
0.6		 4mj8C-4jn6A:
16.57
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.
4OLM_A_198A1001_2
(ANDROGEN RECEPTOR)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 6 MET A 270
ILE A   9
ILE A 253
VAL A  42
 None
 1.01A 4olmA-4jn6A:
undetectable		 4olmA-4jn6A:
19.44
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.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 235
GLY A 206
GLY A 204
LEU A 203
ALA A 213
 None
 0.85A 5c0oG-4jn6A:
undetectable		 5c0oG-4jn6A:
24.29
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.
5ECK_D_ILED601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 6 ALA B 285
THR B 286
VAL B 288
VAL B   7
 None
 1.03A 5eckD-4jn6B:
undetectable		 5eckD-4jn6B:
19.62
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.
5EWJ_D_QELD503_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA B 165
GLN A 122
ILE A 121
PHE A 124
THR B 173
 None
 1.17A 5ewjC-4jn6B:
7.3
5ewjD-4jn6B:
6.0		 5ewjC-4jn6B:
21.45
5ewjD-4jn6B:
19.63
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.
5K50_A_ACTA1403_0
(L-THREONINE
3-DEHYDROGENASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		4 / 5 SER A 183
VAL A 182
GLY A 217
ALA A 216
 None
 0.94A 5k50A-4jn6A:
undetectable		 5k50A-4jn6A:
21.20
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.
5KLA_A_ACTA1505_0
(MATERNAL PROTEIN
PUMILIO)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		3 / 3 HIS A  20
LYS A  21
PHE A 228
 None
 1.48A 5klaA-4jn6A:
undetectable		 5klaA-4jn6A:
24.74
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.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 130
ALA A 127
ILE A  83
GLU A  99
ALA A  75
 None
 1.10A 5n5dB-4jn6A:
undetectable		 5n5dB-4jn6A:
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.
5VLM_D_CVID301_0
(REGULATORY PROTEIN
TETR)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 184
LEU A 138
VAL A 178
ASP A 222
PHE A 197
 None
 1.47A 5vlmD-4jn6A:
undetectable		 5vlmD-4jn6A:
23.75
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.
6A93_A_8NUA3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 12 SER A 290
THR A  10
ILE A   9
PHE A 197
LEU A 173
 None
 1.37A 6a93A-4jn6A:
undetectable		 6a93A-4jn6A:
23.17
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.
6C2M_D_SUED1202_0
(NS3 PROTEASE)		 4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  17
VAL A 237
ARG A 227
ALA A 232
ALA A 280
 None
 1.04A 6c2mD-4jn6A:
undetectable		 6c2mD-4jn6A:
11.56
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.
6GNG_A_QPSA601_1
(-)		 4jn6 ACETALDEHYDE
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY B 129
THR B 163
GLY B 162
ASN B 123
ASN B 112
 None
 0.91A 6gngA-4jn6B:
3.2		 6gngA-4jn6B:
21.67