SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1szq'

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.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 LEU A 200
ALA A 239
LEU A 235
LEU A  83
 None
 0.94A 1dvtA-1szqA:
undetectable
1dvtB-1szqA:
undetectable		 1dvtA-1szqA:
14.32
1dvtB-1szqA:
14.32
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.
1L2I_A_CCSA417_0
(ESTROGEN RECEPTOR)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		3 / 3 GLU A 279
LYS A  31
VAL A  32
 None
 1.00A 1l2iA-1szqA:
undetectable		 1l2iA-1szqA:
19.18
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.
1L2I_B_CCSB417_0
(ESTROGEN RECEPTOR)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 6 PRO A 288
PHE A 287
GLN A 294
VAL A 352
 None
 1.37A 1l2iB-1szqA:
0.0		 1l2iB-1szqA:
19.18
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.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 11 LEU A 409
ALA A 299
ILE A 354
VAL A 320
ILE A 407
 None
 0.92A 1t3rB-1szqA:
undetectable		 1t3rB-1szqA:
14.36
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.
2BXM_A_IMNA2001_1
(SERUM ALBUMIN)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 ALA A  89
PHE A  90
ALA A  94
ARG A  97
 None
 0.85A 2bxmA-1szqA:
undetectable		 2bxmA-1szqA:
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.
2IGT_A_SAMA1001_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		6 / 12 PHE A 283
SER A 275
ALA A  33
ALA A 151
PRO A 113
GLY A 156
 None
 1.49A 2igtA-1szqA:
undetectable		 2igtA-1szqA:
21.70
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.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 7 ILE A 383
THR A 313
ILE A 348
GLY A 359
 None
 1.00A 2v0mB-1szqA:
undetectable		 2v0mB-1szqA:
21.22
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.
2VCT_A_ASDA1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 ILE A 483
GLY A  78
LEU A  49
LEU A 447
 None
 0.86A 2vctA-1szqA:
undetectable		 2vctA-1szqA:
17.86
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.
2VCT_B_ASDB1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 ILE A 483
GLY A  78
LEU A  49
LEU A 447
 None
 0.87A 2vctB-1szqA:
undetectable		 2vctB-1szqA:
17.86
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.
2VCT_C_ASDC1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 ILE A 483
GLY A  78
LEU A  49
LEU A 447
 None
 0.89A 2vctC-1szqA:
0.0		 2vctC-1szqA:
17.86
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.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 ILE A 354
ALA A 364
PHE A 358
ARG A 375
THR A 362
 None
 1.22A 2w3mB-1szqA:
undetectable		 2w3mB-1szqA:
16.39
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.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 GLY A 427
GLY A 435
ASP A 434
ASP A 103
LEU A 282
 None
 1.24A 2zw9B-1szqA:
undetectable		 2zw9B-1szqA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 7 HIS A 292
ASP A 103
THR A 104
HIS A 325
 None
 1.49A 3abkN-1szqA:
undetectable
3abkP-1szqA:
undetectable		 3abkN-1szqA:
22.46
3abkP-1szqA:
19.26
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.
3AG3_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 7 HIS A 292
ASP A 103
THR A 104
HIS A 325
 None
 1.50A 3ag3N-1szqA:
undetectable
3ag3P-1szqA:
undetectable		 3ag3N-1szqA:
22.46
3ag3P-1szqA:
19.26
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.
3IA4_A_MTXA164_2
(DIHYDROFOLATE
REDUCTASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 4 ILE A 354
PHE A 358
ILE A 376
THR A 362
 None
 1.13A 3ia4A-1szqA:
undetectable		 3ia4A-1szqA:
16.49
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		3 / 3 ARG A 271
GLU A 279
TYR A  26
 None
 0.94A 3k37B-1szqA:
undetectable		 3k37B-1szqA:
18.94
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.
3KP6_A_SALA3002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 8 VAL A 352
LEU A 356
ILE A 322
VAL A 320
LEU A 409
 None
 1.08A 3kp6A-1szqA:
0.0
3kp6B-1szqA:
undetectable		 3kp6A-1szqA:
14.12
3kp6B-1szqA:
14.12
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.
3NU4_B_478B401_1
(PROTEASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 9 ALA A 299
ILE A 322
ILE A 354
VAL A 320
ILE A 407
 None
 1.02A 3nu4A-1szqA:
undetectable		 3nu4A-1szqA:
13.56
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.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 11 LEU A 409
ALA A 299
ILE A 354
VAL A 320
ILE A 407
 None
 0.90A 3oy4A-1szqA:
undetectable		 3oy4A-1szqA:
12.61
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.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 MET A 278
VAL A 281
ASP A 103
ILE A 120
VAL A 144
 None
 1.25A 3p6gA-1szqA:
undetectable		 3p6gA-1szqA:
15.11
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.
3TWP_D_SALD404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 5 ASN A 405
ALA A 404
TYR A 395
ALA A 327
 None
 1.32A 3twpD-1szqA:
undetectable		 3twpD-1szqA:
21.85
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.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 5 THR A 146
ILE A 149
LYS A 150
GLU A 153
 None
 0.92A 4ac9C-1szqA:
undetectable		 4ac9C-1szqA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 5 THR A 146
ILE A 149
LYS A 150
GLU A 153
 None
 0.90A 4acaC-1szqA:
undetectable		 4acaC-1szqA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACB_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 5 THR A 146
ILE A 149
LYS A 150
GLU A 153
 None
 0.82A 4acbC-1szqA:
undetectable		 4acbC-1szqA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 5 HIS A 346
LEU A 282
TRP A 110
ASP A 103
 None
 1.05A 4aqlA-1szqA:
undetectable		 4aqlA-1szqA:
20.66
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.
4DF3_A_SAMA301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		3 / 3 TYR A  34
THR A 146
GLU A 279
 None
 0.57A 4df3A-1szqA:
undetectable		 4df3A-1szqA:
19.35
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.
4DF3_B_SAMB301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		3 / 3 TYR A  34
THR A 146
GLU A 279
 None
 0.55A 4df3B-1szqA:
undetectable		 4df3B-1szqA:
19.35
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.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 LEU A 409
ALA A 299
ILE A 354
VAL A 320
ILE A 407
 None
 0.91A 4dqbA-1szqA:
undetectable		 4dqbA-1szqA:
13.32
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.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 11 LEU A 409
ALA A 299
ILE A 354
VAL A 320
ILE A 407
 None
 0.89A 4dqeA-1szqA:
undetectable		 4dqeA-1szqA:
12.83
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.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 11 LEU A 409
ALA A 299
ILE A 354
VAL A 320
ILE A 407
 None
 0.94A 4dqhA-1szqA:
undetectable		 4dqhA-1szqA:
11.76
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.
4HTF_A_ACTA303_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		3 / 3 TYR A 211
HIS A 171
ARG A 212
 None
 0.96A 4htfA-1szqA:
undetectable		 4htfA-1szqA:
20.12
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.
4I1N_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 11 ILE A 354
ALA A 364
PHE A 358
ARG A 375
THR A 362
 None
 1.22A 4i1nA-1szqA:
undetectable		 4i1nA-1szqA:
18.33
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.
4K0B_B_SAMB504_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 HIS A 171
ASP A 170
ALA A 224
TYR A 211
 None
 1.03A 4k0bB-1szqA:
undetectable		 4k0bB-1szqA:
21.80
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.
4L7I_B_SAMB501_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 HIS A 171
ASP A 170
ALA A 224
TYR A 211
 None
 1.04A 4l7iB-1szqA:
undetectable		 4l7iB-1szqA:
21.80
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.
4O2B_D_LOCD503_2
(TUBULIN BETA-2B
CHAIN)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		6 / 12 LEU A 379
LEU A 409
THR A 302
ALA A 300
ALA A 353
ILE A 407
 None
 1.49A 4o2bD-1szqA:
undetectable		 4o2bD-1szqA:
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.
4OJ4_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 SER A 463
LEU A  41
LEU A 145
VAL A 144
 None
 0.82A 4oj4A-1szqA:
undetectable		 4oj4A-1szqA:
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.
4P68_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 11 ILE A 354
PHE A 358
ARG A 375
ILE A 376
THR A 362
 None
 1.19A 4p68A-1szqA:
undetectable		 4p68A-1szqA:
16.45
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.
4U14_A_0HKA2000_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 THR A 229
ALA A 225
ALA A 224
TRP A  98
CYH A  57
 None
 1.33A 4u14A-1szqA:
0.0		 4u14A-1szqA:
22.08
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.
4U15_A_0HKA2001_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 THR A 229
ALA A 225
ALA A 224
TRP A  98
CYH A  57
 None
 1.32A 4u15A-1szqA:
undetectable		 4u15A-1szqA:
22.01
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.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 THR A 229
ALA A 225
ALA A 224
TRP A  98
CYH A  57
 None
 1.31A 4u15B-1szqA:
undetectable		 4u15B-1szqA:
22.01
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 ALA A  88
ALA A  89
ILE A  92
LEU A 117
 None
 0.56A 4v1fA-1szqA:
undetectable
4v1fB-1szqA:
undetectable		 4v1fA-1szqA:
12.67
4v1fB-1szqA:
12.67
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 PHE A 267
ALA A 159
GLN A 155
PHE A 164
HIS A 171
 None
 1.21A 4wh5A-1szqA:
0.0		 4wh5A-1szqA:
13.66
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.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 ASN A 280
VAL A 281
GLY A 156
TYR A 276
ILE A 154
 None
 1.31A 4xucA-1szqA:
undetectable		 4xucA-1szqA:
16.88
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.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 ASN A 280
VAL A 281
GLY A 156
TYR A 276
ILE A 158
 None
 1.42A 4xucA-1szqA:
undetectable		 4xucA-1szqA:
16.88
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		3 / 3 SER A 128
GLU A 185
GLU A  27
 None
 0.60A 4ymgB-1szqA:
undetectable		 4ymgB-1szqA:
19.49
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)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 LEU A 145
LEU A 121
THR A  44
MET A 278
 None
 1.12A 5hbsA-1szqA:
undetectable		 5hbsA-1szqA:
13.92
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.
5MVM_A_PFLA511_1
(PROTON-GATED ION
CHANNEL)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 PRO A 113
ALA A 178
ALA A 159
ILE A 158
 None
 0.72A 5mvmA-1szqA:
undetectable
5mvmB-1szqA:
undetectable		 5mvmA-1szqA:
10.95
5mvmB-1szqA:
10.95
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.
5O96_F_SAMF501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 10 PRO A  77
GLY A  93
GLY A 118
VAL A  74
LEU A  83
 None
 1.14A 5o96E-1szqA:
undetectable
5o96F-1szqA:
undetectable		 5o96E-1szqA:
21.00
5o96F-1szqA:
21.00
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.
5UXC_A_ZITA307_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 5 ASP A 397
PRO A 389
GLU A 326
THR A 392
 None
 1.22A 5uxcA-1szqA:
0.9		 5uxcA-1szqA:
20.49
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.
5XOO_A_ADNA506_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 6 TYR A 276
TRP A 105
LEU A 106
LEU A 282
 None
 1.32A 5xooA-1szqA:
undetectable		 5xooA-1szqA:
10.59
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.
5YCN_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 ILE A  96
GLY A  48
TYR A 477
LEU A 478
LEU A 447
 None
 0.96A 5ycnA-1szqA:
undetectable		 5ycnA-1szqA:
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.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		5 / 12 ILE A 354
ALA A 364
PHE A 358
ARG A 375
THR A 362
 None
 1.23A 5z6fA-1szqA:
undetectable		 5z6fA-1szqA:
18.33
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		 1szq 2-METHYLCITRATE
DEHYDRATASE
(Escherichia
coli) 		4 / 8 ASN A 162
PHE A 164
PHE A 257
VAL A 177
 None
 1.25A 6huoC-1szqA:
undetectable
6huoD-1szqA:
undetectable		 6huoC-1szqA:
13.37
6huoD-1szqA:
10.14