SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5l9w'

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.
1DTL_A_BEPA206_1
(CARDIAC TROPONIN C)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 GLU A 598
GLU B 135
ASP B 137
ARG B 171
 None
 1.20A 1dtlA-5l9wA:
undetectable		 1dtlA-5l9wA:
12.92
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 10 VAL B 153
PHE A 577
VAL A 544
VAL A 484
VAL A 486
 None
 1.17A 1fe2A-5l9wB:
0.0		 1fe2A-5l9wB:
21.99
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.
1FM6_X_BRLX504_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 PHE b  39
GLY b  41
CYH b  42
LEU b 226
LEU b  59
 None
 1.19A 1fm6X-5l9wb:
undetectable		 1fm6X-5l9wb:
17.08
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.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 SER b  68
SER b  18
ALA b 469
ILE b 470
 None
 1.12A 1gm7A-5l9wb:
undetectable
1gm7B-5l9wb:
undetectable		 1gm7A-5l9wb:
14.55
1gm7B-5l9wb:
21.89
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.
1GMK_A_DVAA6_0
(GRAMICIDIN A)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ALA A 313
VAL A 361
TRP A 440
 None
 1.02A 1gmkA-5l9wA:
undetectable
1gmkB-5l9wA:
undetectable		 1gmkA-5l9wA:
2.05
1gmkB-5l9wA:
2.05
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.
1GMK_C_DVAC6_0
(GRAMICIDIN A)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ALA A 313
VAL A 361
TRP A 440
 None
 0.90A 1gmkC-5l9wA:
undetectable
1gmkD-5l9wA:
undetectable		 1gmkC-5l9wA:
2.05
1gmkD-5l9wA:
2.05
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 LEU b 357
LEU b 363
GLN b 374
ALA b 400
LEU b 401
 None
 1.16A 1gs4A-5l9wb:
undetectable		 1gs4A-5l9wb:
16.77
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.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 PHE B 260
ILE B 244
ASN B 242
LEU b 134
GLY b 172
 None
 1.39A 1hvyC-5l9wB:
undetectable		 1hvyC-5l9wB:
18.51
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 GLY B 141
GLY B  99
ARG B 143
LEU A 542
THR B  96
 None
 1.07A 1jg3A-5l9wB:
undetectable		 1jg3A-5l9wB:
16.62
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.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 GLY B 141
GLY B  99
ARG B 143
LEU A 542
THR B  96
 None
 1.10A 1jg3B-5l9wB:
undetectable		 1jg3B-5l9wB:
16.62
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.
1MJO_C_SAMC200_0
(METHIONINE REPRESSOR)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 12 ALA A 435
PHE A 436
GLY B 109
ARG A 427
HIS A 465
 None
 1.25A 1mjoC-5l9wA:
undetectable
1mjoD-5l9wA:
undetectable		 1mjoC-5l9wA:
8.56
1mjoD-5l9wA:
8.56
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.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 TYR B 256
ASN B  11
HIS B  33
GLY B  30
 None
 1.26A 1mxgA-5l9wB:
undetectable		 1mxgA-5l9wB:
19.81
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.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLY A 585
GLY A 473
HIS A 472
GLY A 582
ASN A 501
 None
None
None
None
K  A 703 (-3.4A)
 0.90A 1n2xB-5l9wA:
undetectable		 1n2xB-5l9wA:
18.97
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.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 TRP B 182
GLU B 223
GLU A 450
ILE B 221
 None
 1.39A 1q0yH-5l9wB:
undetectable
1q0yL-5l9wB:
undetectable		 1q0yH-5l9wB:
13.64
1q0yL-5l9wB:
14.72
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.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)		 5l9w ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT
ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 PHE C   7
LEU C 104
GLY A 259
ASP A 258
 None
 0.99A 1rmtC-5l9wC:
undetectable		 1rmtC-5l9wC:
18.40
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.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 TYR A 134
LEU A 139
GLY A  75
ASP A  74
 None
 0.94A 1rmtC-5l9wA:
undetectable		 1rmtC-5l9wA:
14.90
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.
1TV8_B_SAMB2501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 TYR B 327
THR B 229
GLU B 225
VAL B 624
 None
 1.13A 1tv8B-5l9wB:
undetectable		 1tv8B-5l9wB:
18.60
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.
1WU8_C_ADNC502_1
(HYPOTHETICAL PROTEIN
PH0463)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 ASN A 405
ASN A 454
ARG A  57
VAL B 519
 None
 1.34A 1wu8A-5l9wA:
undetectable
1wu8C-5l9wA:
undetectable		 1wu8A-5l9wA:
18.43
1wu8C-5l9wA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 4 LEU A 139
PRO A  91
ILE A  98
LEU A  99
 None
 1.06A 1ya4B-5l9wA:
undetectable		 1ya4B-5l9wA:
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.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 LEU b 133
HIS b 202
ALA b 199
TYR b 200
LEU b 196
 None
 1.39A 2azqA-5l9wb:
undetectable		 2azqA-5l9wb:
21.35
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.
2B25_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 THR b  11
GLY b 316
GLY b 276
GLY b 436
VAL b 314
 ADP  b 801 (-2.9A)
None
ADP  b 801 (-3.5A)
ADP  b 801 (-3.1A)
None
 1.07A 2b25A-5l9wb:
undetectable		 2b25A-5l9wb:
18.64
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ILE b   6
LEU b 209
PHE b  39
ILE b  65
THR b   8
 None
 1.09A 2bl9A-5l9wb:
undetectable		 2bl9A-5l9wb:
17.65
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.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 LEU A 295
PHE A 343
ALA A 315
ILE A 314
ALA A 308
 None
 1.16A 2bxpA-5l9wA:
undetectable		 2bxpA-5l9wA:
21.58
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.
2F78_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 LEU B 168
LEU B  94
LEU B 138
ILE B 134
ILE B 176
 None
 1.22A 2f78A-5l9wB:
undetectable		 2f78A-5l9wB:
15.12
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.
2FL5_B_RBFB202_1
(IMMUNOGLOBULIN IGG1
LAMBDA LIGHT CHAIN
IMMUNOGLOBULIN IGG1
HEAVY CHAIN)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 GLY B 267
ASN B 326
ARG B 578
GLU B 565
GLU B 513
 None
 1.00A 2fl5A-5l9wB:
undetectable
2fl5B-5l9wB:
1.7
2fl5F-5l9wB:
undetectable		 2fl5A-5l9wB:
15.41
2fl5B-5l9wB:
15.43
2fl5F-5l9wB:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FT9_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 VAL b  75
SER b 243
ILE b 247
VAL b 303
LEU b 108
 None
 1.11A 2ft9A-5l9wb:
undetectable		 2ft9A-5l9wb:
12.31
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.
2J2P_A_SC2A1290_1
(FICOLIN-2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 SER A 409
LEU B 569
GLY B 571
ARG B 517
 EPE  A 704 (-3.7A)
None
EPE  A 704 ( 4.9A)
None
 1.11A 2j2pA-5l9wA:
undetectable
2j2pB-5l9wA:
undetectable		 2j2pA-5l9wA:
14.72
2j2pB-5l9wA:
14.72
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.
2J2P_D_SC2D1290_1
(FICOLIN-2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 GLY A 180
TRP A 112
ARG A 178
LEU A 111
 None
 1.24A 2j2pD-5l9wA:
undetectable
2j2pF-5l9wA:
undetectable		 2j2pD-5l9wA:
14.72
2j2pF-5l9wA:
14.72
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.
2KOT_B_ANWB99_0
(PROTEIN S100-A13)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ALA A  73
VAL A 234
THR A 235
PHE A 238
 None
 0.82A 2kotB-5l9wA:
undetectable		 2kotB-5l9wA:
9.13
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.
2M2P_B_DHIB24_0
(INSULIN B CHAIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 TYR A 586
GLY A 513
PHE A 511
 None
 0.46A 2m2pB-5l9wA:
undetectable		 2m2pB-5l9wA:
4.18
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.
2NYR_B_SVRB401_2
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 PHE A 238
ARG A 239
ASN A 333
LEU A 252
 None
 1.04A 2nyrA-5l9wA:
undetectable		 2nyrA-5l9wA:
17.93
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.
2Q6H_A_CXXA801_1
(TRANSPORTER)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 LEU B  81
VAL B  79
ILE B 333
PHE B 281
ASP B 233
 None
 1.21A 2q6hA-5l9wB:
undetectable		 2q6hA-5l9wB:
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.
2QD3_B_CHDB504_0
(FERROCHELATASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 ILE A 498
PRO A 507
SER A 391
MET A 368
 None
 1.47A 2qd3B-5l9wA:
undetectable		 2qd3B-5l9wA:
20.20
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.
2QM9_B_TDZB202_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 5l9w ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT
ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 TYR C  36
VAL C  99
SER A 388
ALA A 378
TYR A 586
 None
 1.28A 2qm9B-5l9wC:
undetectable		 2qm9B-5l9wC:
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.
2VXA_G_RBFG200_1
(DODECIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 GLN A 387
ARG B 122
THR B 113
GLN B 116
 None
 1.23A 2vxaF-5l9wA:
undetectable
2vxaG-5l9wA:
undetectable
2vxaI-5l9wA:
undetectable		 2vxaF-5l9wA:
8.06
2vxaG-5l9wA:
8.06
2vxaI-5l9wA:
8.06
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.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 SER b 128
HIS B 257
ASP B  71
 None
 0.60A 2wa2B-5l9wb:
undetectable		 2wa2B-5l9wb:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG B 162
GLU B 159
SER b 573
 None
 0.72A 2xctD-5l9wB:
undetectable		 2xctD-5l9wB:
23.80
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.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ALA b 313
SER b 334
GLY b 317
THR b 354
THR b 352
 None
None
ADP  b 801 ( 4.0A)
ADP  b 801 (-3.8A)
None
 1.24A 2zifA-5l9wb:
undetectable		 2zifA-5l9wb:
19.21
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.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ARG b 641
ASP b 405
LEU b 401
GLU b 447
 None
 0.98A 2zw9A-5l9wb:
undetectable		 2zw9A-5l9wb:
21.60
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.
3AG1_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.74A 3ag1J-5l9wB:
undetectable		 3ag1J-5l9wB:
6.67
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.
3AG1_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 ARG A 427
GLY A 477
GLY A 393
GLU A 422
THR A 481
 None
 1.48A 3ag1G-5l9wA:
undetectable
3ag1N-5l9wA:
undetectable
3ag1O-5l9wA:
undetectable		 3ag1G-5l9wA:
10.49
3ag1N-5l9wA:
22.33
3ag1O-5l9wA:
15.71
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.
3AG1_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.59A 3ag1N-5l9wB:
undetectable
3ag1W-5l9wB:
undetectable		 3ag1N-5l9wB:
22.24
3ag1W-5l9wB:
6.67
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 VAL B 367
ASP B 394
HIS B 478
ILE A  36
 None
 0.91A 3avpA-5l9wB:
undetectable		 3avpA-5l9wB:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BCR_A_AZZA940_1
(GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 ASN A 420
PHE A 438
ALA A 416
GLY A  61
 None
 1.21A 3bcrA-5l9wA:
undetectable		 3bcrA-5l9wA:
20.94
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.
3BJW_F_SVRF509_2
(PHOSPHOLIPASE A2)		 5l9w ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT
ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 TYR C  36
LYS C  37
LYS C  38
PRO A 648
 None
 1.44A 3bjwD-5l9wC:
undetectable		 3bjwD-5l9wC:
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.
3BOG_C_DHIC32_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 GLY A 432
GLY A 423
GLY A 477
GLY A 582
 None
 0.38A 3bogA-5l9wA:
undetectable
3bogC-5l9wA:
undetectable		 3bogA-5l9wA:
undetectable
3bogC-5l9wA:
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.
3BOG_C_DHIC32_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 6 PRO A 507
GLY A 425
GLY A 477
GLY A 471
GLY A 583
 None
 1.18A 3bogA-5l9wA:
undetectable
3bogC-5l9wA:
undetectable		 3bogA-5l9wA:
undetectable
3bogC-5l9wA:
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.
3BOG_C_DHIC32_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 6 PRO A 507
GLY A 425
GLY A 477
GLY A 585
GLY A 583
 None
 0.91A 3bogA-5l9wA:
undetectable
3bogC-5l9wA:
undetectable		 3bogA-5l9wA:
undetectable
3bogC-5l9wA:
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.
3BOG_C_DVAC47_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 4 GLY A 471
GLY A 585
GLY A 473
GLY A 477
 None
 0.65A 3bogC-5l9wA:
undetectable		 3bogC-5l9wA:
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.
3BOG_C_DVAC47_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 4 GLY A 477
GLY A 583
GLY A 582
GLY A 471
 None
 0.63A 3bogC-5l9wA:
undetectable		 3bogC-5l9wA:
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.
3D91_B_REMB350_1
(RENIN)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 SER b  18
THR b   3
LEU b 459
ALA b 469
SER b 471
 None
 1.13A 3d91B-5l9wb:
undetectable		 3d91B-5l9wb:
19.12
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.
3HGX_A_SALA102_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 ARG B 441
VAL B 695
TYR B 399
ILE B 400
 None
 0.98A 3hgxA-5l9wB:
undetectable		 3hgxA-5l9wB:
10.18
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.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 MET A 241
GLU A 229
VAL A 218
ILE A  44
GLU A  47
 None
 1.26A 3jayA-5l9wA:
undetectable		 3jayA-5l9wA:
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.
3JQA_C_DX4C270_0
(PTERIDINE REDUCTASE
1)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 ARG B  87
ASP B 114
TYR B 224
PRO B 132
 None
 1.35A 3jqaC-5l9wB:
undetectable		 3jqaC-5l9wB:
17.74
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.
3JQA_D_DX4D270_0
(PTERIDINE REDUCTASE
1)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 ARG B  87
ASP B 114
TYR B 224
PRO B 132
 None
 1.35A 3jqaD-5l9wB:
undetectable		 3jqaD-5l9wB:
17.74
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.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 MET B 579
LEU B 576
PHE B 623
VAL B 539
 None
 0.95A 3jwqC-5l9wB:
undetectable		 3jwqC-5l9wB:
18.07
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.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 12 GLY B 572
VAL B 529
GLY A 408
SER A 410
ASN A 405
 None
None
None
EPE  A 704 (-3.7A)
None
 1.25A 3k13A-5l9wB:
undetectable		 3k13A-5l9wB:
18.23
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.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 12 GLY B 572
VAL B 529
GLY A 408
SER A 410
ASN A 405
 None
None
None
EPE  A 704 (-3.7A)
None
 1.27A 3k13B-5l9wB:
undetectable		 3k13B-5l9wB:
18.23
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.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		6 / 12 GLY B 572
VAL B 529
GLY A 408
SER A 410
ASN A 405
PHE A 456
 None
None
None
EPE  A 704 (-3.7A)
None
None
 1.33A 3k13C-5l9wB:
undetectable		 3k13C-5l9wB:
18.23
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.
3KKZ_B_SAMB302_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		6 / 12 ARG A 476
GLY A 432
GLY A 480
GLY A 582
SER A 418
ALA A 435
 None
 1.21A 3kkzB-5l9wA:
undetectable		 3kkzB-5l9wA:
17.66
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.
3MG0_2_BO221405_1
(PROTEASOME COMPONENT
PRE3
PROTEASOME COMPONENT
PUP1)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ALA b 259
SER b 249
GLY b 250
SER b 471
SER b 283
 None
 1.02A 3mg02-5l9wb:
undetectable
3mg0V-5l9wb:
undetectable		 3mg02-5l9wb:
14.83
3mg0V-5l9wb:
17.23
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.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ALA B 451
ILE B 346
ASN B 282
ASP B 308
GLY B 307
 None
 1.23A 3nrrA-5l9wB:
undetectable		 3nrrA-5l9wB:
22.77
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.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ALA B 451
ILE B 346
ASN B 282
ASP B 308
GLY B 307
 None
 1.25A 3nrrB-5l9wB:
undetectable		 3nrrB-5l9wB:
22.77
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_1
(16S RRNA METHYLASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ASP b 245
GLU b 511
SER b 306
 None
 0.78A 3p2kA-5l9wb:
undetectable		 3p2kA-5l9wb:
16.42
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.
3R9T_B_BEZB264_0
(ECHA1_1)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 ILE b  65
LEU b  59
ALA b  46
ALA b  47
 None
 0.91A 3r9tB-5l9wb:
3.8		 3r9tB-5l9wb:
20.52
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.
3REM_A_SALA301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ARG B 441
VAL B 695
TYR B 399
ILE B 400
 None
 0.99A 3remA-5l9wB:
undetectable		 3remA-5l9wB:
9.90
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.
3REM_B_SALB301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ARG B 441
VAL B 695
TYR B 399
ILE B 400
 None
 1.00A 3remB-5l9wB:
undetectable		 3remB-5l9wB:
9.90
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.
3RGL_A_GLYA301_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ALA b 259
GLY b 258
THR b 255
ARG b 263
 None
 0.85A 3rglA-5l9wb:
undetectable		 3rglA-5l9wb:
17.67
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.
3S45_B_478B201_1
(PROTEASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 ASP b 274
GLY b 467
ILE b 470
PRO b 290
ILE b 285
 ADP  b 801 (-3.5A)
None
None
None
None
 0.97A 3s45A-5l9wb:
undetectable		 3s45A-5l9wb:
11.48
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.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 SER A 565
ARG A 567
PRO A 568
TYR A 569
 None
 1.30A 3sufC-5l9wA:
undetectable		 3sufC-5l9wA:
16.20
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.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 SER A 565
ARG A 567
TYR A 569
VAL A 400
 None
 1.17A 3sufC-5l9wA:
undetectable		 3sufC-5l9wA:
16.20
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.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ARG A 476
GLY A 480
GLY A 582
SER A 418
ALA A 435
 None
 1.22A 3sxjA-5l9wA:
undetectable		 3sxjA-5l9wA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXJ_B_SAMB258_0
(PUTATIVE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ARG A 476
GLY A 480
GLY A 582
SER A 418
ALA A 435
 None
 1.22A 3sxjB-5l9wA:
undetectable		 3sxjB-5l9wA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_A_SAMA300_0
(PUTATIVE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ARG A 476
GLY A 480
GLY A 582
SER A 418
ALA A 435
 None
 1.24A 3t7sA-5l9wA:
undetectable		 3t7sA-5l9wA:
17.64
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.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ARG A 476
GLY A 480
GLY A 582
SER A 418
ALA A 435
 None
 1.26A 3t7sB-5l9wA:
undetectable		 3t7sB-5l9wA:
17.64
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.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ARG A 476
GLY A 480
GLY A 582
SER A 418
ALA A 435
 None
 1.20A 3t7sC-5l9wA:
undetectable		 3t7sC-5l9wA:
17.64
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.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ARG A 476
GLY A 480
GLY A 582
SER A 418
ALA A 435
 None
 1.26A 3t7sD-5l9wA:
undetectable		 3t7sD-5l9wA:
17.64
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.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 TYR A 417
VAL A 460
HIS B 100
SER A 463
 None
 1.05A 3tj7A-5l9wA:
undetectable
3tj7B-5l9wA:
undetectable		 3tj7A-5l9wA:
14.79
3tj7B-5l9wA:
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.
3TJ7_C_ACTC606_0
(GBAA_1210 PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 TYR A 417
VAL A 460
HIS B 100
SER A 463
 None
 1.10A 3tj7C-5l9wA:
undetectable
3tj7D-5l9wA:
0.8		 3tj7C-5l9wA:
14.79
3tj7D-5l9wA:
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.
3TJ7_D_ACTD605_0
(GBAA_1210 PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 VAL A 460
HIS B 100
SER A 463
TYR A 417
 None
 1.11A 3tj7C-5l9wA:
undetectable
3tj7D-5l9wA:
0.8		 3tj7C-5l9wA:
14.79
3tj7D-5l9wA:
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.
3U9F_D_CLMD221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 LEU A 295
PHE A 317
VAL A 293
ALA A 370
CYH A 280
 None
 1.45A 3u9fD-5l9wA:
undetectable
3u9fE-5l9wA:
undetectable		 3u9fD-5l9wA:
14.14
3u9fE-5l9wA:
14.14
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.
3UCB_B_017B202_1
(PROTEASE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 TRP B 336
PRO B 132
GLY B  89
PRO B  90
 None
 1.29A 3ucbB-5l9wB:
undetectable		 3ucbB-5l9wB:
8.88
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.
3V4T_A_ACTA503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 ARG B 145
GLU A 450
THR A 449
 None
 0.81A 3v4tA-5l9wB:
undetectable		 3v4tA-5l9wB:
23.00
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.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 10 ARG b 191
GLY b 179
LEU b 145
LEU b 178
ILE b 158
 None
 1.10A 3wdmB-5l9wb:
undetectable		 3wdmB-5l9wb:
17.95
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.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 GLY B 678
LEU B 702
LEU B 675
ASP B 645
ILE B 681
 None
 1.19A 3wdmC-5l9wB:
undetectable		 3wdmC-5l9wB:
16.99
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.
3WDM_D_ADND301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 10 ARG b 191
GLY b 179
LEU b 145
LEU b 178
ILE b 158
 None
 1.13A 3wdmD-5l9wb:
undetectable		 3wdmD-5l9wb:
17.95
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.
4AC9_C_DXCC1478_0
(MJ0495-LIKE PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 SER b  69
ASP b   7
GLY b 229
THR b  13
 None
 1.03A 4ac9C-5l9wb:
3.0		 4ac9C-5l9wb:
21.92
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.
4ACA_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ILE B  15
ASP B  14
ILE B  13
GLY B  56
 None
 0.66A 4acaC-5l9wB:
3.6		 4acaC-5l9wB:
21.29
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.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 TYR A 233
VAL A 234
LEU A 237
VAL A  78
 None
 1.08A 4e1gB-5l9wA:
undetectable		 4e1gB-5l9wA:
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.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 SER A 580
ASN A 397
CYH A 517
GLY A 583
 None
 0.94A 4fo4A-5l9wA:
undetectable		 4fo4A-5l9wA:
21.14
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.
4FU9_A_ACTA312_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 ARG A 278
HIS C  91
TYR A 281
 None
 1.27A 4fu9A-5l9wA:
undetectable		 4fu9A-5l9wA:
14.52
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.
4J4V_C_SVRC301_1
(NUCLEOCAPSID PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 GLY b 233
ASN b 230
PRO b 290
PHE b 292
 None
 0.92A 4j4vC-5l9wb:
undetectable		 4j4vC-5l9wb:
19.39
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.
4J4V_D_SVRD301_1
(NUCLEOCAPSID PROTEIN)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 GLY b 233
ASN b 230
VAL b 474
PRO b 290
PHE b 292
 None
 1.31A 4j4vD-5l9wb:
undetectable
4j4vE-5l9wb:
undetectable		 4j4vD-5l9wb:
19.39
4j4vE-5l9wb:
19.39
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.
4NDN_A_SAMA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ALA A 378
ASP A 289
ILE A 253
ILE A 339
 None
 0.94A 4ndnB-5l9wA:
undetectable		 4ndnB-5l9wA:
20.62
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.
4NDN_C_SAMC405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 HIS A 148
PRO A 125
ASP A 126
SER A 364
 HG  A 701 (-3.5A)
None
HG  A 701 (-2.0A)
None
 1.33A 4ndnC-5l9wA:
undetectable		 4ndnC-5l9wA:
20.62
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.
4NDN_C_SAMC405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ALA A 378
ASP A 289
ILE A 253
ILE A 339
 None
 0.93A 4ndnD-5l9wA:
undetectable		 4ndnD-5l9wA:
20.62
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.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 LEU B  95
ILE B 197
VAL B 209
ALA B 173
LEU B 168
 None
 1.11A 4o1zB-5l9wB:
undetectable		 4o1zB-5l9wB:
21.16
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLY A 432
ALA A 426
GLY A 478
GLY A 477
GLY A 423
 None
 0.93A 4o33A-5l9wA:
undetectable		 4o33A-5l9wA:
21.36
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLY A 432
ALA A 426
GLY A 478
GLY A 477
GLY A 423
 None
 0.90A 4o3fA-5l9wA:
undetectable		 4o3fA-5l9wA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_B_GCSB303_1
(CHITOSANASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 ILE b 470
ARG b  66
GLY b 233
VAL b 474
 None
 1.06A 4oltB-5l9wb:
undetectable		 4oltB-5l9wb:
18.52
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.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 THR B  39
THR B  22
THR B 280
ASN B  82
 None
 1.37A 4pgfB-5l9wB:
3.7		 4pgfB-5l9wB:
21.92
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLY b 229
ASN b 230
ILE b   6
THR b   8
SER b  38
 None
 1.33A 4pooA-5l9wb:
2.1		 4pooA-5l9wb:
15.83
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.
4PTJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ASP B 445
LYS B 483
LEU B 712
 None
 1.06A 4ptjA-5l9wB:
undetectable		 4ptjA-5l9wB:
12.65
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.
4QWP_A_GCSA303_1
(CHITOSANASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 GLU B 553
ILE b 170
HIS B 264
TYR B 512
 None
EPE  B 802 (-4.6A)
None
None
 0.91A 4qwpA-5l9wB:
undetectable		 4qwpA-5l9wB:
18.06
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.
4QWP_B_GCSB307_1
(CHITOSANASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 GLY A  64
THR A  84
VAL A 147
HIS A 123
 None
None
None
HG  A 701 (-3.3A)
 0.83A 4qwpB-5l9wA:
undetectable		 4qwpB-5l9wA:
18.54
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.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 THR B 391
ALA B 474
GLY B 353
GLY B 351
ASP B 308
 None
 1.12A 4qwuK-5l9wB:
undetectable
4qwuL-5l9wB:
undetectable		 4qwuK-5l9wB:
17.06
4qwuL-5l9wB:
15.00
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.
4QWU_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 THR B 391
ALA B 474
GLY B 353
GLY B 351
ASP B 308
 None
 1.16A 4qwuY-5l9wB:
undetectable
4qwuZ-5l9wB:
undetectable		 4qwuY-5l9wB:
17.06
4qwuZ-5l9wB:
15.00
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.
4UHX_A_LZUA3008_1
(ALDEHYDE OXIDASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 GLU A 598
ASP A 600
ARG A 476
PRO A 594
 None
 0.92A 4uhxA-5l9wA:
undetectable		 4uhxA-5l9wA:
18.78
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.
4UHX_A_RTZA3009_1
(ALDEHYDE OXIDASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 GLU A 598
ASP A 600
ARG A 476
PRO A 594
 None
 0.92A 4uhxA-5l9wA:
undetectable		 4uhxA-5l9wA:
18.78
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.
4W5R_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 ASP A 413
ALA A 200
THR A 150
THR A 149
 None
 1.28A 4w5rA-5l9wA:
undetectable		 4w5rA-5l9wA:
23.51
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.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 ASP A 413
ALA A 200
THR A 150
THR A 149
 None
 1.28A 4w5tA-5l9wA:
undetectable		 4w5tA-5l9wA:
23.51
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.
4WCX_C_SAMC503_0
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 301
GLY A 299
LEU A   6
ALA A 312
HIS A 309
 None
 1.16A 4wcxC-5l9wA:
undetectable		 4wcxC-5l9wA:
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.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 ASP B 334
ARG A 445
ARG B 121
 None
 0.90A 4x5iA-5l9wB:
undetectable		 4x5iA-5l9wB:
12.60
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.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 ASP b 498
ARG B 192
ARG B 162
 None
 0.96A 4x5iA-5l9wb:
undetectable		 4x5iA-5l9wb:
13.71
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.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 TYR A 668
VAL A 277
ILE A 363
LEU A 681
 None
 1.22A 4xo7B-5l9wA:
undetectable		 4xo7B-5l9wA:
18.52
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.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 12 VAL B 178
ILE B 106
SER A 463
GLN A 483
HIS B 100
 None
 1.38A 4xudA-5l9wB:
undetectable		 4xudA-5l9wB:
16.08
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.
4XUE_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 12 VAL B 178
ILE B 106
SER A 463
GLN A 483
HIS B 100
 None
 1.38A 4xueA-5l9wB:
3.0		 4xueA-5l9wB:
16.79
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.
4Z2D_F_LFXF102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		3 / 4 ARG B 626
GLY B 563
GLU B 565
 None
 0.59A 4z2dB-5l9wB:
undetectable
4z2dC-5l9wB:
4.5		 4z2dB-5l9wB:
21.51
4z2dC-5l9wB:
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.
4Z4C_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 5l9w ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 TYR C  86
PRO C  47
LEU C  71
GLU C  72
 None
 1.35A 4z4cA-5l9wC:
undetectable		 4z4cA-5l9wC:
9.90
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.
4ZZB_D_ACTD403_0
(PROTON-GATED ION
CHANNEL)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 4 ILE A 614
ARG A 645
TYR A 514
GLU C  72
 None
 1.08A 4zzbD-5l9wA:
undetectable		 4zzbD-5l9wA:
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.
4ZZB_D_ACTD403_0
(PROTON-GATED ION
CHANNEL)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 4 ILE A 614
ARG C  45
TYR A 514
GLU C  72
 None
 1.18A 4zzbD-5l9wA:
undetectable		 4zzbD-5l9wA:
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.
4ZZC_A_ACTA401_0
(PROTON-GATED ION
CHANNEL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 ILE B 400
ARG B 654
ILE B 686
GLU B 688
 None
 1.15A 4zzcA-5l9wB:
undetectable
4zzcB-5l9wB:
undetectable		 4zzcA-5l9wB:
17.74
4zzcB-5l9wB:
17.74
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.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 5 ILE A 614
ARG C  45
TYR A 514
GLU C  72
 None
 1.19A 4zzcE-5l9wA:
undetectable		 4zzcE-5l9wA:
17.84
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.
5A1I_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 HIS A 148
PRO A 125
ASP A 126
SER A 364
 HG  A 701 (-3.5A)
None
HG  A 701 (-2.0A)
None
 1.29A 5a1iA-5l9wA:
undetectable		 5a1iA-5l9wA:
20.62
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 GLY A 432
TYR A 514
ALA A 515
GLY A 583
 None
 0.84A 5albL-5l9wA:
undetectable		 5albL-5l9wA:
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 SER A  66
GLY A  83
ILE A 419
GLY A 444
 None
 0.75A 5alcL-5l9wA:
undetectable		 5alcL-5l9wA:
16.56
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.
5EAJ_B_FOLB201_1
(DIHYDROFOLATE
REDUCTASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 ASP B 334
ARG A 445
ARG B 121
 None
 0.93A 5eajB-5l9wB:
undetectable		 5eajB-5l9wB:
12.53
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_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 SER A 469
GLY A 480
GLY A 432
GLY A 477
GLY A 582
 None
 1.01A 5ekxA-5l9wA:
undetectable		 5ekxA-5l9wA:
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.
5H5F_A_SAMA301_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 GLY b  10
PRO b 341
THR b 278
THR b  30
 None
 1.18A 5h5fA-5l9wb:
undetectable		 5h5fA-5l9wb:
16.03
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.
5H5F_A_SAMA301_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 GLY b 277
PRO b 251
THR b 279
THR b  11
 ADP  b 801 (-3.3A)
None
None
ADP  b 801 (-2.9A)
 1.14A 5h5fA-5l9wb:
undetectable		 5h5fA-5l9wb:
16.03
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.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 12 GLY B 141
VAL A 479
GLY B  99
THR B  97
LEU B  95
 None
 1.15A 5hg0A-5l9wB:
undetectable		 5hg0A-5l9wB:
17.20
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.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 12 GLY B 141
VAL A 479
GLY B  99
THR B  97
LEU B  95
 None
 1.10A 5hg0B-5l9wB:
undetectable		 5hg0B-5l9wB:
17.20
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.
5JI0_D_BRLD501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 PHE A 436
GLY A 478
GLN A 424
HIS A 372
TYR A 324
 None
 1.01A 5ji0D-5l9wA:
1.6		 5ji0D-5l9wA:
16.28
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.
5L6E_B_ACTB401_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT
N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 GLU C  44
ARG C  69
ARG A 645
ARG C  46
 None
 1.28A 5l6eA-5l9wC:
undetectable
5l6eB-5l9wC:
undetectable		 5l6eA-5l9wC:
22.36
5l6eB-5l9wC:
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.
5LSA_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 12 VAL B 178
ILE B 106
SER A 463
GLN A 483
HIS B 100
 None
 1.31A 5lsaA-5l9wB:
undetectable		 5lsaA-5l9wB:
15.75
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.
5M45_A_ACTA802_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 HIS A 123
ASP A 126
HIS A 148
MET A 160
 HG  A 701 (-3.3A)
HG  A 701 (-2.0A)
HG  A 701 (-3.5A)
None
 0.78A 5m45A-5l9wA:
39.0		 5m45A-5l9wA:
25.62
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.
5M45_D_ACTD802_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 HIS A 123
ASP A 126
HIS A 148
MET A 160
 HG  A 701 (-3.3A)
HG  A 701 (-2.0A)
HG  A 701 (-3.5A)
None
 0.78A 5m45D-5l9wA:
39.1		 5m45D-5l9wA:
25.62
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.
5M45_G_ACTG802_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 HIS A 123
ASP A 126
HIS A 148
MET A 160
 HG  A 701 (-3.3A)
HG  A 701 (-2.0A)
HG  A 701 (-3.5A)
None
 0.78A 5m45G-5l9wA:
38.8		 5m45G-5l9wA:
25.62
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.
5M45_J_ACTJ802_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 HIS A 123
ASP A 126
HIS A 148
MET A 160
 HG  A 701 (-3.3A)
HG  A 701 (-2.0A)
HG  A 701 (-3.5A)
None
 0.78A 5m45J-5l9wA:
31.3		 5m45J-5l9wA:
25.62
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ALA b 569
GLN b 492
THR b 496
 None
 0.74A 5n0oA-5l9wb:
2.8		 5n0oA-5l9wb:
23.23
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.
5OAJ_E_TKTE601_1
()		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 GLU B 200
TYR B 201
PHE b 513
ARG b 237
 None
 1.41A 5oajD-5l9wB:
undetectable
5oajE-5l9wB:
undetectable		 5oajD-5l9wB:
16.27
5oajE-5l9wB:
16.27
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 LEU b  59
ALA b  60
PHE b  58
VAL b   4
ILE b  65
 None
 0.97A 5om2A-5l9wb:
undetectable
5om2B-5l9wb:
undetectable		 5om2A-5l9wb:
8.28
5om2B-5l9wb:
8.33
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.
5SXQ_B_NIZB808_1
(CATALASE-PEROXIDASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 GLU A 422
VAL A 519
GLY A 583
GLN A 505
 None
 0.94A 5sxqB-5l9wA:
undetectable		 5sxqB-5l9wA:
23.04
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.
5SYJ_A_NIZA809_1
(CATALASE-PEROXIDASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 GLU A 422
VAL A 519
GLY A 583
GLN A 505
 None
 0.93A 5syjA-5l9wA:
undetectable		 5syjA-5l9wA:
23.04
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.
5VCE_A_RITA602_2
(CYTOCHROME P450 3A4)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 ARG b  66
PHE b  39
ILE b  71
THR b  70
 None
 1.08A 5vceA-5l9wb:
undetectable		 5vceA-5l9wb:
20.52
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_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 12 ALA A 378
LEU C 104
ILE C 101
TRP C  20
ARG C  33
 None
 1.09A 5vlmE-5l9wA:
undetectable		 5vlmE-5l9wA:
15.20
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.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 LEU b 330
ALA b 407
VAL b 275
GLY b 318
THR b 280
 None
 1.07A 5w5vA-5l9wb:
2.8		 5w5vA-5l9wb:
22.97
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.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 LEU A 415
VAL A 575
MET A 495
THR A 449
THR A 576
 None
 1.32A 5w5vA-5l9wA:
undetectable		 5w5vA-5l9wA:
21.32
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.
5W97_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.60A 5w97J-5l9wB:
undetectable		 5w97J-5l9wB:
6.67
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.
5X19_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.67A 5x19J-5l9wB:
undetectable		 5x19J-5l9wB:
6.67
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.
5X1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.67A 5x1bJ-5l9wB:
undetectable		 5x1bJ-5l9wB:
6.67
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.
5X1F_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.64A 5x1fW-5l9wB:
undetectable		 5x1fW-5l9wB:
6.67
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.
5XDQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.57A 5xdqA-5l9wB:
undetectable
5xdqJ-5l9wB:
undetectable		 5xdqA-5l9wB:
22.24
5xdqJ-5l9wB:
6.67
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.
5YBB_A_SAMA601_0
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLY A 583
THR A 584
GLY A 425
PRO A 516
THR A 481
 None
 1.14A 5ybbA-5l9wA:
undetectable		 5ybbA-5l9wA:
21.73
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.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 ILE A 339
ALA A 249
LEU A 325
LEU A 284
THR A 335
 None
 1.06A 5z6mA-5l9wA:
undetectable		 5z6mA-5l9wA:
12.50
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.
5Z84_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 GLN B 537
PHE B 623
LEU B 620
PHE B 520
 None
 1.03A 5z84P-5l9wB:
undetectable
5z84W-5l9wB:
undetectable		 5z84P-5l9wB:
15.98
5z84W-5l9wB:
6.67
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.
5Z85_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 GLN B 537
PHE B 623
LEU B 620
PHE B 520
 None
 1.07A 5z85P-5l9wB:
undetectable
5z85W-5l9wB:
undetectable		 5z85P-5l9wB:
15.98
5z85W-5l9wB:
6.67
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.
5Z86_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 GLN B 537
PHE B 623
LEU B 620
PHE B 520
 None
 0.99A 5z86C-5l9wB:
undetectable
5z86J-5l9wB:
undetectable		 5z86C-5l9wB:
15.98
5z86J-5l9wB:
6.67
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.
5Z86_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 GLN B 537
PHE B 623
LEU B 620
PHE B 520
 None
 1.01A 5z86P-5l9wB:
undetectable
5z86W-5l9wB:
undetectable		 5z86P-5l9wB:
15.98
5z86W-5l9wB:
6.67
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.
5ZCO_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 GLN B 537
PHE B 623
LEU B 620
PHE B 520
 None
 1.05A 5zcoP-5l9wB:
undetectable
5zcoW-5l9wB:
undetectable		 5zcoP-5l9wB:
15.98
5zcoW-5l9wB:
6.67
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.
5ZCP_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 GLN B 537
PHE B 623
LEU B 620
PHE B 520
 None
 1.04A 5zcpC-5l9wB:
undetectable
5zcpJ-5l9wB:
undetectable		 5zcpC-5l9wB:
15.98
5zcpJ-5l9wB:
6.67
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.
5ZCP_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 GLN B 537
PHE B 623
LEU B 620
PHE B 520
 None
 1.03A 5zcpP-5l9wB:
undetectable
5zcpW-5l9wB:
undetectable		 5zcpP-5l9wB:
15.98
5zcpW-5l9wB:
6.67
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.
5ZW4_A_SAMA302_1
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 SER A  81
ARG B 117
ARG B 121
ASP A  46
 None
 1.27A 5zw4A-5l9wA:
undetectable		 5zw4A-5l9wA:
14.88
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.
6AG0_C_ACRC609_0
(ALPHA-AMYLASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 7 GLY B 571
ASP B 621
TRP A 407
MET B 568
 EPE  A 704 ( 4.9A)
None
None
None
 1.35A 6ag0C-5l9wB:
undetectable		 6ag0C-5l9wB:
7.72
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.
6AG0_C_ACRC609_0
(ALPHA-AMYLASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 7 GLY B 617
ASP B 621
TRP A 407
MET B 568
 None
 1.06A 6ag0C-5l9wB:
undetectable		 6ag0C-5l9wB:
7.72
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.
6AZ3_1_PAR11802_1
(RRNA ALPHA
RIBOSOMAL PROTEIN
UL4
RIBOSOMAL PROTEIN
UL15
RIBOSOMAL PROTEIN
EL15)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 683
LYS A 273
ARG A 354
 None
 1.04A 6az3C-5l9wA:
0.8
6az3L-5l9wA:
undetectable
6az3M-5l9wA:
undetectable		 6az3C-5l9wA:
9.25
6az3L-5l9wA:
8.24
6az3M-5l9wA:
8.53
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.
6C71_B_NCTB501_1
(AMINE OXIDASE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 LEU B 251
TYR B 256
TRP B 248
THR B 247
 None
 1.20A 6c71B-5l9wB:
undetectable		 6c71B-5l9wB:
8.18
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ILE B  72
SER B 503
LEU B  67
ASP B  14
PHE B  48
 None
 1.35A 6dwnB-5l9wB:
undetectable		 6dwnB-5l9wB:
9.26
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.
6EF6_A_ACTA405_0
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 THR b 203
ARG b 140
GLN B 241
ARG B 238
 None
 1.26A 6ef6A-5l9wb:
undetectable		 6ef6A-5l9wb:
20.84
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.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 LEU A 349
ALA A 308
THR A 506
ASN A 394
 None
None
K  A 703 ( 4.4A)
None
 0.89A 6f88A-5l9wA:
0.3		 6f88A-5l9wA:
8.57
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.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 LEU A 349
ALA A 308
THR A 506
ASN A 394
 None
None
K  A 703 ( 4.4A)
None
 0.92A 6f88B-5l9wA:
undetectable		 6f88B-5l9wA:
8.57
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.
6FBN_B_SAMB401_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 ALA A 378
ASP A 289
ILE A 253
ILE A 339
 None
 0.93A 6fbnA-5l9wA:
undetectable		 6fbnA-5l9wA:
20.57
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.
6FGD_A_ACTA820_0
(GEPHYRIN)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 5 GLU C 124
PRO C 123
THR C 121
GLN A 255
 None
 1.23A 6fgdA-5l9wC:
undetectable		 6fgdA-5l9wC:
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.
6G1P_A_ACTA403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 TYR b 166
ASP b 164
GLN b 165
 None
None
EPE  B 802 (-4.0A)
 0.78A 6g1pA-5l9wb:
undetectable		 6g1pA-5l9wb:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G6R_A_SAMA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 HIS A 148
PRO A 125
ASP A 126
SER A 364
 HG  A 701 (-3.5A)
None
HG  A 701 (-2.0A)
None
 1.28A 6g6rA-5l9wA:
undetectable		 6g6rA-5l9wA:
20.62
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.
6GNG_A_QPSA601_1
(-)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLY B  19
THR B 312
GLY B 310
ASP B 308
ASP B  23
 None
 1.12A 6gngA-5l9wB:
2.7		 6gngA-5l9wB:
24.42
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.
6GNG_B_QPSB601_1
(-)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 THR B 693
VAL B 309
THR B 669
VAL B 444
GLY B 481
 None
 1.36A 6gngB-5l9wB:
undetectable		 6gngB-5l9wB:
24.42
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.
6HD6_A_STIA603_1
(TYROSINE-PROTEIN
KINASE ABL1)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 LEU b 108
TYR b 200
ILE b 228
GLY b  77
 None
 1.08A 6hd6A-5l9wb:
undetectable		 6hd6A-5l9wb:
10.72
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ASN A  42
ILE A  44
VAL A 218
PHE A 238
PRO A  92
 None
 1.19A 6hlpA-5l9wA:
undetectable		 6hlpA-5l9wA:
21.73
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 ARG b 404
ARG b 448
THR b 412
ALA b 407
 None
 1.17A 6ma6A-5l9wb:
undetectable		 6ma6A-5l9wb:
8.05
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.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 LEU B  94
GLY B  93
LEU B 168
GLU B 101
 None
 0.78A 6mdqA-5l9wB:
undetectable		 6mdqA-5l9wB:
8.68
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.
6NKN_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.64A 6nknJ-5l9wB:
undetectable		 6nknJ-5l9wB:
6.67
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.
6NKN_W_CHDW102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.54A 6nknW-5l9wB:
undetectable		 6nknW-5l9wB:
6.67
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.
6NMP_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.56A 6nmpA-5l9wB:
undetectable
6nmpJ-5l9wB:
undetectable		 6nmpA-5l9wB:
22.24
6nmpJ-5l9wB:
6.67
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.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 10 PHE B 260
ILE B 244
ASN B 242
LEU b 134
GLY b 172
 None
 1.41A 6r2eB-5l9wB:
undetectable		 6r2eB-5l9wB:
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.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 10 PHE B 260
ILE B 244
ASN B 242
LEU b 134
GLY b 172
 None
 1.46A 6r2eC-5l9wB:
undetectable		 6r2eC-5l9wB:
19.35