SIMILAR PATTERNS OF AMINO ACIDS FOR 3FL9_E_TOPE200_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1bf5 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		5 LEU A 347
LEU A 354
ILE A 446
LEU A 444
PHE A 309
 None
 1.13A 3fl9E-1bf5A:
undetectable		 3fl9E-1bf5A:
15.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ALA A   9
LEU A  22
GLU A  30
LEU A  67
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
None
HBI  A 198 ( 4.5A)
 0.67A 3fl9E-1dr6A:
20.1		 3fl9E-1dr6A:
32.28
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ALA A 363
LEU A 299
LEU A 309
ILE A 231
LEU A 400
 None
 1.10A 3fl9E-1g8kA:
undetectable		 3fl9E-1g8kA:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		5 MET A 164
LEU A 321
LEU A 366
VAL A 369
ILE A 203
 None
 1.10A 3fl9E-1gjuA:
undetectable		 3fl9E-1gjuA:
14.74
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.
1gmi PROTEIN KINASE C,
EPSILON TYPE

(Rattus rattus) 		PF00168
(C2) 		5 LEU A  44
VAL A  73
ILE A 129
LEU A 131
PHE A 102
 None
 1.05A 3fl9E-1gmiA:
undetectable		 3fl9E-1gmiA:
20.36
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.
1iay 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
SYNTHASE 2

(Solanum
lycopersicum) 		PF00155
(Aminotran_1_2) 		5 LEU A 322
LEU A 276
ILE A  63
PHE A 331
THR A 109
 None
 1.10A 3fl9E-1iayA:
undetectable		 3fl9E-1iayA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		5 ALA A 859
LEU A 884
ILE A 540
LEU A 537
THR A 908
 None
 1.10A 3fl9E-1kspA:
undetectable		 3fl9E-1kspA:
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.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ALA B 650
LEU B 745
ILE B 752
LEU B 717
THR B 185
 None
 0.96A 3fl9E-1m2vB:
undetectable		 3fl9E-1m2vB:
11.59
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA B 322
LEU B 406
LEU B 417
ILE B 399
THR B 323
 None
 1.13A 3fl9E-1n60B:
undetectable		 3fl9E-1n60B:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ALA A 587
LEU A 600
VAL A 564
ILE A 616
THR A 590
 None
 1.13A 3fl9E-1ofeA:
undetectable		 3fl9E-1ofeA:
7.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ALA A 650
LEU A 745
ILE A 752
LEU A 717
THR A 185
 None
 1.04A 3fl9E-1pd1A:
undetectable		 3fl9E-1pd1A:
12.68
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ALA A 745
LEU A 758
ILE A 804
LEU A 766
PHE A 800
 None
 1.16A 3fl9E-1qgrA:
undetectable		 3fl9E-1qgrA:
12.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 MET A 624
LEU A 680
VAL A 676
ILE A 664
LEU A 652
 PT  A 862 (-2.2A)
None
None
None
None
 1.16A 3fl9E-1qvrA:
undetectable		 3fl9E-1qvrA:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli) 		PF02541
(Ppx-GppA) 		5 LEU A 444
ILE A 503
LEU A 469
PHE A 471
THR A 452
 None
 1.16A 3fl9E-1u6zA:
undetectable		 3fl9E-1u6zA:
16.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
 0.89A 3fl9E-1u71A:
20.3		 3fl9E-1u71A:
33.33
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.
1zbs HYPOTHETICAL PROTEIN
PG1100

(Porphyromonas
gingivalis) 		PF01869
(BcrAD_BadFG) 		5 LEU A  78
LEU A  45
VAL A  49
LEU A  86
THR A  12
 None
 1.07A 3fl9E-1zbsA:
undetectable		 3fl9E-1zbsA:
20.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
LEU A  28
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.87A 3fl9E-1zdrA:
24.7		 3fl9E-1zdrA:
52.12
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.
1zuj HYPOTHETICAL PROTEIN
LLACC01001955

(Lactococcus
lactis) 		no annotation 5 ALA A  27
LEU A 144
GLU A  84
LEU A  79
THR A  26
 None
 1.15A 3fl9E-1zujA:
undetectable		 3fl9E-1zujA:
21.65
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.
2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE

(Bacillus
circulans) 		PF01041
(DegT_DnrJ_EryC1) 		5 ALA A 406
LEU A 403
LEU A 283
ILE A 386
PHE A 323
 None
 1.09A 3fl9E-2c81A:
undetectable		 3fl9E-2c81A:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d2x 2-DEOXY-SCYLLO-INOSO
SE SYNTHASE

(Bacillus
circulans) 		PF01761
(DHQ_synthase) 		5 LEU A 351
VAL A 228
ILE A 190
LEU A 191
PHE A 242
 None
 1.12A 3fl9E-2d2xA:
undetectable		 3fl9E-2d2xA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 LEU A  92
LEU A 217
VAL A 221
ILE A 183
THR A  83
 None
 1.11A 3fl9E-2d4eA:
undetectable		 3fl9E-2d4eA:
14.26
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.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 ALA A  71
LEU A  63
VAL A  65
ILE A  13
LEU A  15
 None
 1.11A 3fl9E-2g04A:
undetectable		 3fl9E-2g04A:
18.99
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 ALA A 306
VAL A 278
ILE A 324
LEU A 229
PHE A 251
 None
 1.07A 3fl9E-2iceA:
undetectable		 3fl9E-2iceA:
14.06
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.
2im9 HYPOTHETICAL PROTEIN

(Legionella
pneumophila) 		PF07313
(DUF1460) 		5 ALA A 249
ILE A 264
LEU A 319
PHE A 261
THR A 248
 None
 1.10A 3fl9E-2im9A:
undetectable		 3fl9E-2im9A:
17.42
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.
2jik SYNAPTOJANIN-2
BINDING PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  88
LEU A  23
LEU A  94
VAL A  68
ILE A  27
 None
 1.15A 3fl9E-2jikA:
undetectable		 3fl9E-2jikA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjf L-LYSINE EPSILON
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 ALA A 256
LEU A 218
ILE A 196
LEU A 163
PHE A 235
 None
 0.96A 3fl9E-2jjfA:
undetectable		 3fl9E-2jjfA:
15.45
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.
2jsw TALIN-1

(Mus musculus) 		PF01608
(I_LWEQ) 		5 ALA A2353
LEU A2323
ILE A2345
LEU A2424
THR A2356
 None
 1.10A 3fl9E-2jswA:
undetectable		 3fl9E-2jswA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lbf 60S ACIDIC RIBOSOMAL
PROTEIN P2

(Homo sapiens) 		PF00428
(Ribosomal_60s) 		5 MET B 101
ALA B 163
LEU B 146
LEU B 108
ILE B 123
 None
 0.93A 3fl9E-2lbfB:
undetectable		 3fl9E-2lbfB:
18.75
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.
2md5 TRANSCRIPTION FACTOR
ETV6

(Mus musculus) 		PF00178
(Ets) 		5 LEU A 394
LEU A 337
VAL A 341
ILE A 402
PHE A 415
 None
 1.09A 3fl9E-2md5A:
undetectable		 3fl9E-2md5A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
LEU A  25
LEU A  33
ILE A  62
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.2A)
 0.67A 3fl9E-2oipA:
20.5		 3fl9E-2oipA:
17.18
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
LEU A  33
ILE A  62
LEU A  67
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 4.2A)
 0.85A 3fl9E-2oipA:
20.5		 3fl9E-2oipA:
17.18
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.
2pjz HYPOTHETICAL PROTEIN
ST1066

(Sulfurisphaera
tokodaii) 		PF00005
(ABC_tran) 		5 ALA A  49
LEU A   4
VAL A   7
ILE A  35
LEU A 204
 None
 1.15A 3fl9E-2pjzA:
undetectable		 3fl9E-2pjzA:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		5 ALA A   8
GLU A  28
VAL A  32
LEU A  41
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.7A)
None
MTX  A 200 ( 4.4A)
 1.14A 3fl9E-2qk8A:
28.2		 3fl9E-2qk8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		8 LEU A  21
GLU A  28
LEU A  29
VAL A  32
ILE A  51
LEU A  55
PHE A  96
THR A 115
 MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.9A)
MTX  A 200 ( 4.4A)
 0.76A 3fl9E-2qk8A:
28.2		 3fl9E-2qk8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		9 MET A   6
ALA A   8
GLU A  28
LEU A  29
VAL A  32
ILE A  51
LEU A  55
PHE A  96
THR A 115
 MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.9A)
MTX  A 200 ( 4.4A)
 0.49A 3fl9E-2qk8A:
28.2		 3fl9E-2qk8A:
100.00
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.
2rvj EPITHELIAL SPLICING
REGULATORY PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 ALA A 504
VAL A 520
ILE A 461
LEU A 452
PHE A 464
 None
 0.87A 3fl9E-2rvjA:
undetectable		 3fl9E-2rvjA:
19.50
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.
2vri NON-STRUCTURAL
PROTEIN 3

(Human
coronavirus
NL63) 		PF01661
(Macro) 		5 ALA A 155
LEU A 131
LEU A 117
VAL A 147
PHE A   3
 None
 1.16A 3fl9E-2vriA:
undetectable		 3fl9E-2vriA:
18.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA A   7
LEU A  20
LEU A  28
ILE A  50
LEU A  54
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.73A 3fl9E-2w9sA:
24.6		 3fl9E-2w9sA:
44.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsm HYDROGENASE
EXPRESSION/FORMATION
PROTEIN (HYPB)

(Archaeoglobus
fulgidus) 		PF02492
(cobW) 		5 ALA A  38
GLU A 141
VAL A 145
ILE A 159
PHE A 153
 None
 1.14A 3fl9E-2wsmA:
3.2		 3fl9E-2wsmA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ALA A 451
LEU A 331
ILE A 470
LEU A 466
PHE A 478
 None
 1.11A 3fl9E-2xr1A:
undetectable		 3fl9E-2xr1A:
13.54
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.
3ay3 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Chromohalobacter
salexigens) 		PF01370
(Epimerase) 		5 LEU A  25
VAL A 106
ILE A  18
LEU A  70
PHE A 184
 None
 1.13A 3fl9E-3ay3A:
undetectable		 3fl9E-3ay3A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bq8 SENSOR PROTEIN PHOQ

(Escherichia
coli) 		PF08918
(PhoQ_Sensor) 		5 MET A  85
ALA A  98
LEU A  95
VAL A 102
ILE A 109
 None
 1.06A 3fl9E-3bq8A:
undetectable		 3fl9E-3bq8A:
18.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
LEU A  27
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.69A 3fl9E-3dfrA:
23.6		 3fl9E-3dfrA:
37.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LEU X  20
VAL X  31
ILE X  50
LEU X  54
PHE X  92
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
None
N22  X 219 (-4.6A)
None
N22  X 219 ( 3.7A)
N22  X 219 (-4.4A)
 0.68A 3fl9E-3i8aX:
24.7		 3fl9E-3i8aX:
46.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 LEU X  20
LEU X  28
VAL X  31
ILE X  50
LEU X  54
PHE X  92
THR X 111
 N22  X 219 ( 4.6A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
None
N22  X 219 ( 3.7A)
N22  X 219 (-4.4A)
 0.75A 3fl9E-3i8aX:
24.7		 3fl9E-3i8aX:
46.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ALA A   8
GLU A  28
LEU A  29
ILE A  51
LEU A  55
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-4.3A)
 0.68A 3fl9E-3ia4A:
25.4		 3fl9E-3ia4A:
44.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ALA A  10
LEU A  23
GLU A  30
LEU A  31
LEU A  58
THR A 119
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.71A 3fl9E-3ix9A:
24.6		 3fl9E-3ix9A:
36.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iz4 SSRA-BINDING PROTEIN

(Escherichia
coli) 		PF01668
(SmpB) 		5 ALA B  46
LEU B  79
LEU B 117
LEU B  89
PHE B  48
 None
 1.06A 3fl9E-3iz4B:
undetectable		 3fl9E-3iz4B:
22.16
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.
3jby V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Danio rerio) 		PF12940
(RAG1) 		5 LEU A 597
VAL A 713
ILE A 649
LEU A 586
PHE A 720
 None
 1.11A 3fl9E-3jbyA:
undetectable		 3fl9E-3jbyA:
10.33
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.
3lul 4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Legionella
pneumophila) 		PF01063
(Aminotran_4) 		5 LEU A  49
ILE A  32
LEU A  71
PHE A 109
THR A   3
 None
 1.14A 3fl9E-3lulA:
undetectable		 3fl9E-3lulA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nap CAPSID PROTEIN

(Triatoma virus) 		PF00073
(Rhv) 		5 ALA B 113
LEU B 110
VAL B 236
LEU B 151
PHE B 106
 None
 1.07A 3fl9E-3napB:
undetectable		 3fl9E-3napB:
17.31
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.
3p5s CD38 MOLECULE

(Bos taurus) 		PF02267
(Rib_hydrolayse) 		5 ALA A 219
LEU A 256
VAL A 198
ILE A 249
LEU A 232
 None
 1.14A 3fl9E-3p5sA:
undetectable		 3fl9E-3p5sA:
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.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		5 ALA A 364
LEU A  28
LEU A 292
ILE A 380
THR A 365
 None
 0.91A 3fl9E-3pgyA:
undetectable		 3fl9E-3pgyA:
16.75
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.
3r79 UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF01168
(Ala_racemase_N) 		5 ALA A  92
LEU A  84
ILE A 102
LEU A 157
PHE A 124
 None
 1.05A 3fl9E-3r79A:
undetectable		 3fl9E-3r79A:
23.48
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.
3rd7 ACYL-COA
THIOESTERASE

(Mycobacterium
avium) 		PF13622
(4HBT_3) 		5 ALA A 236
LEU A 242
LEU A 200
VAL A 196
LEU A   5
 None
 1.09A 3fl9E-3rd7A:
undetectable		 3fl9E-3rd7A:
17.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  21
LEU A  29
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.64A 3fl9E-3tq9A:
24.3		 3fl9E-3tq9A:
38.20
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.
3u7r NADPH-DEPENDENT FMN
REDUCTASE

(Paracoccus
denitrificans) 		PF03358
(FMN_red) 		5 ALA A  73
LEU A 130
ILE A  65
LEU A  61
THR A  75
 None
 1.11A 3fl9E-3u7rA:
2.6		 3fl9E-3u7rA:
21.03
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.
4avc LYSINE
ACETYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00027
(cNMP_binding)
PF13302
(Acetyltransf_3) 		5 MET A  18
LEU A 131
ILE A 124
LEU A  32
PHE A  21
 None
PEG  A1335 (-4.3A)
None
None
None
 1.11A 3fl9E-4avcA:
undetectable		 3fl9E-4avcA:
17.48
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.
4c76 FMN REDUCTASE
(NADPH)

(Pseudomonas
putida) 		PF03358
(FMN_red) 		5 LEU A  32
LEU A  80
VAL A 112
ILE A 167
LEU A 146
 None
 1.10A 3fl9E-4c76A:
undetectable		 3fl9E-4c76A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF00037
(Fer4)
PF01058
(Oxidored_q6) 		5 LEU B 100
LEU B  64
ILE B  81
LEU B  75
THR B 181
 None
 1.10A 3fl9E-4ci0B:
undetectable		 3fl9E-4ci0B:
19.64
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
LEU X  25
GLU X  32
LEU X  72
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
TOP  X 301 (-4.5A)
 0.59A 3fl9E-4g8zX:
19.6		 3fl9E-4g8zX:
28.57
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 LEU X  25
GLU X  32
ILE X  65
LEU X  72
THR X 144
 TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 1.03A 3fl9E-4g8zX:
19.6		 3fl9E-4g8zX:
28.57
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.
4gs5 ACYL-COA SYNTHETASE
(AMP-FORMING)/AMP-AC
ID LIGASE II-LIKE
PROTEIN

(Dyadobacter
fermentans) 		PF00501
(AMP-binding) 		5 LEU A 161
LEU A 152
VAL A 172
ILE A 134
LEU A 147
 None
 1.15A 3fl9E-4gs5A:
undetectable		 3fl9E-4gs5A:
19.56
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
LEU A  25
GLU A  32
ILE A  62
LEU A  69
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
None
14Q  A 302 (-4.2A)
 0.96A 3fl9E-4h98A:
18.6		 3fl9E-4h98A:
29.28
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.
4jb1 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ALA A 109
GLU A 190
LEU A 192
ILE A 220
THR A 187
 None
GOL  A 405 (-3.0A)
None
None
GOL  A 405 ( 4.1A)
 1.12A 3fl9E-4jb1A:
undetectable		 3fl9E-4jb1A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l7m PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermococcus
onnurineus) 		PF13646
(HEAT_2) 		5 LEU A 120
LEU A 142
VAL A 103
ILE A  81
LEU A  77
 None
 1.16A 3fl9E-4l7mA:
undetectable		 3fl9E-4l7mA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m4w PRIMOSOMAL PROTEIN
DNAI

(Bacillus
subtilis) 		PF01695
(IstB_IS21)
PF07319
(DnaI_N) 		5 MET J 120
LEU J 204
LEU J 217
VAL J 220
ILE J 245
 None
 1.00A 3fl9E-4m4wJ:
undetectable		 3fl9E-4m4wJ:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
LEU A  28
LEU A  55
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.48A 3fl9E-4m7vA:
24.6		 3fl9E-4m7vA:
43.43
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.
4ote LIPOPROTEIN

(Clostridioides
difficile) 		PF03180
(Lipoprotein_9) 		5 ALA A 192
LEU A 113
LEU A 152
PHE A 175
THR A 191
 None
 1.06A 3fl9E-4oteA:
undetectable		 3fl9E-4oteA:
20.95
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.
4q2n INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A 441
LEU A 376
LEU A 447
VAL A 421
ILE A 380
 None
 0.97A 3fl9E-4q2nA:
undetectable		 3fl9E-4q2nA:
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.
4qiw DNA-DIRECTED RNA
POLYMERASE SUBUNIT D

(Thermococcus
kodakarensis) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 ALA D  93
LEU D 123
ILE D  59
LEU D  63
PHE D 131
 None
 0.95A 3fl9E-4qiwD:
undetectable		 3fl9E-4qiwD:
21.51
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.
4rct RESTRICTION
ENDONUCLEASE
R.NGOVII

(Neisseria
gonorrhoeae) 		PF09565
(RE_NgoFVII) 		5 MET A  23
LEU A 125
ILE A  60
LEU A  51
PHE A  26
 None
 1.13A 3fl9E-4rctA:
undetectable		 3fl9E-4rctA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rlq BENZOATE-COENZYME A
LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A  83
LEU A  51
LEU A 115
VAL A  66
ILE A  58
 None
 1.13A 3fl9E-4rlqA:
2.1		 3fl9E-4rlqA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7v NUCLEOTIDYL
TRANSFERASE

(Pseudomonas
putida) 		PF00483
(NTP_transferase) 		5 ALA A   3
LEU A  41
LEU A  72
ILE A  34
LEU A  64
 None
 1.15A 3fl9E-4y7vA:
undetectable		 3fl9E-4y7vA:
20.25
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.
4yqy PUTATIVE
DEHYDROGENASE

(Sulfitobacter
sp. NAS-14.1) 		PF13561
(adh_short_C2) 		5 LEU A 127
LEU A 173
VAL A 179
LEU A 165
PHE A 119
 None
 1.10A 3fl9E-4yqyA:
undetectable		 3fl9E-4yqyA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dku PREX DNA POLYMERASE

(Plasmodium
falciparum) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		5 ALA A 212
LEU A  97
LEU A 204
ILE A  59
PHE A  57
 None
 1.11A 3fl9E-5dkuA:
undetectable		 3fl9E-5dkuA:
12.18
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.
5evy SALICYLATE
HYDROXYLASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 LEU X 353
LEU X 339
VAL X   8
ILE X 310
LEU X  20
 None
 1.04A 3fl9E-5evyX:
undetectable		 3fl9E-5evyX:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ALA A 216
LEU A 194
LEU A  97
ILE A 106
LEU A 132
 None
 1.03A 3fl9E-5gxdA:
undetectable		 3fl9E-5gxdA:
14.48
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.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		5 ALA A 501
LEU A 503
ILE A 566
LEU A 507
PHE A 473
 None
 1.09A 3fl9E-5gy0A:
undetectable		 3fl9E-5gy0A:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis) 		PF10091
(Glycoamylase) 		6 LEU A 282
LEU A 430
VAL A 426
ILE A 214
LEU A 218
PHE A 420
 None
 1.42A 3fl9E-5gzhA:
undetectable		 3fl9E-5gzhA:
14.92
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.
5iaa UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5

(Homo sapiens) 		PF00899
(ThiF) 		5 LEU A 135
LEU A 102
VAL A  81
PHE A 118
THR A  88
 None
 1.08A 3fl9E-5iaaA:
undetectable		 3fl9E-5iaaA:
19.80
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.
5kbf CAMP-DEPENDENT
PROTEIN KINASE
REGULATORY SUBUNIT,
PUTATIVE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 LEU A 226
LEU A 189
VAL A 296
ILE A 201
LEU A 193
 None
 1.16A 3fl9E-5kbfA:
undetectable		 3fl9E-5kbfA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		6 LEU A 119
LEU A 221
ILE A  56
LEU A  49
PHE A  51
THR A 227
 None
 1.22A 3fl9E-5kreA:
undetectable		 3fl9E-5kreA:
19.83
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.
5mv9 UNCONVENTIONAL
MYOSIN-VIIA

(Homo sapiens) 		PF00373
(FERM_M)
PF00784
(MyTH4) 		5 LEU A2140
ILE A2133
LEU A2194
PHE A2167
THR A2121
 None
 1.12A 3fl9E-5mv9A:
undetectable		 3fl9E-5mv9A:
15.36
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 ALA A 352
LEU A 470
GLU A 356
VAL A 198
THR A 353
 None
 1.05A 3fl9E-5nitA:
undetectable		 3fl9E-5nitA:
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.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		5 LEU A 430
LEU A 198
VAL A 184
ILE A 213
PHE A 115
 None
 1.14A 3fl9E-5t81A:
undetectable		 3fl9E-5t81A:
14.77
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.
5tc1 MATURATION PROTEIN

(Escherichia
virus MS2) 		PF03863
(Phage_mat-A) 		5 ALA M 150
LEU M 310
LEU M 222
ILE M 267
THR M 149
 None
 1.13A 3fl9E-5tc1M:
undetectable		 3fl9E-5tc1M:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5trw PYRIDOXAL KINASE
PDXY

(Paraburkholderia
xenovorans) 		PF08543
(Phos_pyr_kin) 		5 LEU A 160
LEU A 196
VAL A 198
ILE A 157
LEU A 149
 None
 1.16A 3fl9E-5trwA:
undetectable		 3fl9E-5trwA:
20.48
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.
5uj5 ADRENODOXIN

(Encephalitozoon
cuniculi) 		PF00111
(Fer2) 		5 ALA A 111
LEU A  67
VAL A  39
LEU A  50
PHE A  22
 None
 1.06A 3fl9E-5uj5A:
undetectable		 3fl9E-5uj5A:
24.00
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.
5uxn PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 238
VAL A 282
ILE A 264
LEU A 306
THR A 245
 None
 1.14A 3fl9E-5uxnA:
undetectable		 3fl9E-5uxnA:
18.75
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.
5vcx MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 MET A 338
LEU A 218
LEU A 359
ILE A 296
LEU A 332
 None
 1.05A 3fl9E-5vcxA:
undetectable		 3fl9E-5vcxA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wyp DNA POLYMERASE III
SUBUNIT BETA

(Caulobacter
vibrioides) 		no annotation 5 ALA A  37
LEU A  89
ILE A  33
LEU A  14
PHE A  44
 None
 1.10A 3fl9E-5wypA:
undetectable		 3fl9E-5wypA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 5 ALA A  59
LEU A  67
LEU A 136
LEU A 154
PHE A 107
 None
 1.16A 3fl9E-5xepA:
undetectable		 3fl9E-5xepA:
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		5 LEU A 227
LEU A 358
VAL A 361
ILE A 257
THR A 210
 None
 0.98A 3fl9E-5xfaA:
undetectable		 3fl9E-5xfaA:
12.35
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.
5y2v RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 6 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
THR A 201
 None
None
None
None
None
PO4  A 401 (-4.0A)
 1.19A 3fl9E-5y2vA:
undetectable		 3fl9E-5y2vA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 6 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
THR A 201
 None
None
None
None
None
PGA  A 401 (-3.6A)
 1.31A 3fl9E-5y2wA:
undetectable		 3fl9E-5y2wA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 ALA A 269
GLU A 251
VAL A 143
ILE A 245
LEU A  16
 None
 1.16A 3fl9E-6bvgA:
undetectable		 3fl9E-6bvgA:
18.18
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 5 ALA A 183
GLU A 457
VAL A 461
LEU A 323
THR A 186
 None
 1.14A 3fl9E-6c93A:
undetectable		 3fl9E-6c93A:
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.
6e4e -

(-) 		no annotation 7 ALA A   7
LEU A  20
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.59A 3fl9E-6e4eA:
24.7		 3fl9E-6e4eA:
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.
6e4e -

(-) 		no annotation 7 LEU A  20
LEU A  28
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.59A 3fl9E-6e4eA:
24.7		 3fl9E-6e4eA:
undetectable