SIMILAR PATTERNS OF AMINO ACIDS FOR 3FL9_G_TOPG200_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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 ALA A  97
ILE A 121
LEU A 196
PHE A  60
THR A  95
 None
 1.08A 3fl9G-1b25A:
undetectable		 3fl9G-1b25A:
14.73
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) 		7 ALA A   9
ASN A  21
LEU A  22
GLU A  30
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
None
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
None
None
HBI  A 198 ( 4.5A)
 0.96A 3fl9G-1dr6A:
20.0		 3fl9G-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.
1f5x RHO-GEF VAV

(Mus musculus) 		PF00621
(RhoGEF) 		5 LEU A  91
LEU A  99
VAL A 102
ILE A  35
PHE A  83
 None
 1.06A 3fl9G-1f5xA:
undetectable		 3fl9G-1f5xA:
19.00
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.
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
 1.08A 3fl9G-1gmiA:
undetectable		 3fl9G-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.
1k3e CEST

(Escherichia
coli) 		PF05932
(CesT) 		5 ALA A  72
LEU A  84
LEU A 123
LEU A 134
PHE A  65
 None
 1.15A 3fl9G-1k3eA:
undetectable		 3fl9G-1k3eA:
20.44
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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		5 ALA A 157
ASN A 189
GLU A 154
LEU A 244
THR A  70
 None
 1.03A 3fl9G-1ks8A:
undetectable		 3fl9G-1ks8A:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.07A 3fl9G-1kspA:
undetectable		 3fl9G-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.
1p68 DE NOVO DESIGNED
PROTEIN S-824

(Escherichia
coli) 		no annotation 5 MET A  60
LEU A  37
VAL A  40
ILE A  92
LEU A   9
 None
 1.11A 3fl9G-1p68A:
undetectable		 3fl9G-1p68A:
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 ASN A 195
LEU A 208
LEU A  84
VAL A  47
LEU A  44
PHE A 191
 NAG  A 801 (-1.9A)
None
None
None
None
None
 1.36A 3fl9G-1rj6A:
undetectable		 3fl9G-1rj6A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u3i GLUTATHIONE
S-TRANSFERASE 28 KDA

(Schistosoma
mansoni) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ALA A 102
LEU A 163
ILE A 185
LEU A 178
PHE A 136
 None
 0.98A 3fl9G-1u3iA:
undetectable		 3fl9G-1u3iA:
25.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		5 ALA A   9
GLU A  30
LEU A  67
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.75A 3fl9G-1u70A:
19.7		 3fl9G-1u70A:
33.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		5 GLU A  30
ILE A  60
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.0A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 1.03A 3fl9G-1u70A:
19.7		 3fl9G-1u70A:
33.16
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
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
None
None
MXA  A 187 (-4.3A)
 0.67A 3fl9G-1u71A:
20.3		 3fl9G-1u71A:
33.33
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 GLU A  30
ILE A  60
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-2.9A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.96A 3fl9G-1u71A:
20.3		 3fl9G-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.
1vtm COAT PROTEIN

(Tobacco mild
green mosaic
virus) 		PF00721
(TMV_coat) 		5 LEU P  23
LEU P 132
ILE P  80
LEU P  79
THR P  28
 None
 1.04A 3fl9G-1vtmP:
undetectable		 3fl9G-1vtmP:
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ALA A  59
LEU A  66
LEU A 135
LEU A 158
PHE A 106
 None
 1.15A 3fl9G-1wb0A:
undetectable		 3fl9G-1wb0A:
16.18
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
LEU A  45
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.73A 3fl9G-2blbA:
19.6		 3fl9G-2blbA:
25.81
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.
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
 1.12A 3fl9G-2c81A:
undetectable		 3fl9G-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.
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
 1.15A 3fl9G-2g04A:
undetectable		 3fl9G-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
 1.01A 3fl9G-2iceA:
undetectable		 3fl9G-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
 1.12A 3fl9G-2im9A:
undetectable		 3fl9G-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.
2iy8 PROTEIN PM0188

(Pasteurella
multocida) 		PF11477
(PM0188) 		5 ALA A 122
LEU A  91
ILE A 106
LEU A  32
TYR A 171
 None
 0.99A 3fl9G-2iy8A:
undetectable		 3fl9G-2iy8A:
16.54
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
LEU A  25
LEU A  33
ILE A  62
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
None
MTX  A 605 ( 4.2A)
 0.75A 3fl9G-2oipA:
20.5		 3fl9G-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) 		6 ALA A  11
LEU A  33
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.87A 3fl9G-2oipA:
20.5		 3fl9G-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
 1.10A 3fl9G-2pjzA:
undetectable		 3fl9G-2pjzA:
22.18
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.
2pv7 T-PROTEIN [INCLUDES:
CHORISMATE MUTASE
(EC 5.4.99.5) (CM)
AND PREPHENATE
DEHYDROGENASE (EC
1.3.1.12) (PDH)]

(Haemophilus
influenzae) 		PF02153
(PDH) 		5 LEU A 229
VAL A 215
ILE A 149
LEU A 177
PHE A 116
 None
 1.09A 3fl9G-2pv7A:
undetectable		 3fl9G-2pv7A:
20.27
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) 		10 ALA A   8
LEU A  21
GLU A  28
LEU A  29
VAL A  32
ILE A  51
LEU A  55
PHE A  96
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
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)
None
MTX  A 200 ( 4.4A)
 0.73A 3fl9G-2qk8A:
27.7		 3fl9G-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) 		10 MET A   6
ALA A   8
GLU A  28
LEU A  29
VAL A  32
ILE A  51
LEU A  55
PHE A  96
TYR A 102
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)
None
MTX  A 200 ( 4.4A)
 0.54A 3fl9G-2qk8A:
27.7		 3fl9G-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.
2qm8 GTPASE/ATPASE

(Methylobacterium
extorquens) 		PF03308
(ArgK) 		5 LEU A  75
LEU A 152
VAL A 150
ILE A 255
THR A  80
 None
 1.14A 3fl9G-2qm8A:
3.8		 3fl9G-2qm8A:
17.78
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.
2r9y ALPHA-2-ANTIPLASMIN

(Mus musculus) 		PF00079
(Serpin) 		6 MET A 275
ALA A 261
LEU A 309
VAL A 384
LEU A 312
PHE A 388
 None
 1.28A 3fl9G-2r9yA:
undetectable		 3fl9G-2r9yA:
16.05
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.
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
 0.86A 3fl9G-2rvjA:
undetectable		 3fl9G-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.
2vtc CEL61B

(Trichoderma
reesei) 		PF03443
(Glyco_hydro_61) 		5 LEU A 192
LEU A 150
VAL A 184
ILE A 118
PHE A 157
 None
 1.08A 3fl9G-2vtcA:
undetectable		 3fl9G-2vtcA:
19.84
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) 		8 ALA A   7
LEU A  20
LEU A  28
ILE A  50
LEU A  54
PHE A  92
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
None
TOP  A1160 ( 4.5A)
 0.78A 3fl9G-2w9sA:
24.5		 3fl9G-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.
2x8u SERINE
PALMITOYLTRANSFERASE

(Sphingomonas
wittichii) 		PF00155
(Aminotran_1_2) 		5 ASN A 305
LEU A 373
ILE A 385
LEU A 352
PHE A 389
 None
 1.07A 3fl9G-2x8uA:
undetectable		 3fl9G-2x8uA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 3fl9G-2xr1A:
undetectable		 3fl9G-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.
3aiz DNA POLYMERASE
SLIDING CLAMP C

(Sulfurisphaera
tokodaii) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 LEU C 231
ILE C  49
LEU C  18
PHE C 239
THR C 136
 None
 1.04A 3fl9G-3aizC:
undetectable		 3fl9G-3aizC:
19.60
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.
3c7k GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(O) SUBUNIT
ALPHA

(Mus musculus) 		PF00503
(G-alpha) 		5 ALA A  87
ASN A 142
LEU A 149
LEU A 157
TYR A  95
 None
 1.11A 3fl9G-3c7kA:
undetectable		 3fl9G-3c7kA:
15.96
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)
 0.68A 3fl9G-3dfrA:
23.5		 3fl9G-3dfrA:
37.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ggr CELL CYCLE
CHECKPOINT CONTROL
PROTEIN RAD9A

(Homo sapiens) 		PF04139
(Rad9) 		5 LEU A  36
LEU A  13
VAL A  17
ILE A  99
PHE A  80
 None
 1.09A 3fl9G-3ggrA:
undetectable		 3fl9G-3ggrA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gle PILIN

(Streptococcus
pyogenes) 		PF12892
(FctA) 		6 LEU A 198
LEU A 175
VAL A 177
ILE A 212
PHE A 235
THR A 287
 LEU  A 198 ( 0.6A)
LEU  A 175 ( 0.5A)
VAL  A 177 ( 0.6A)
ILE  A 212 ( 0.7A)
PHE  A 235 ( 1.3A)
THR  A 287 ( 0.8A)
 1.42A 3fl9G-3gleA:
undetectable		 3fl9G-3gleA:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gms PUTATIVE
NADPH:QUINONE
REDUCTASE

(Bacillus
thuringiensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASN A 149
LEU A 231
ILE A 216
LEU A 138
THR A 207
 None
 1.02A 3fl9G-3gmsA:
3.1		 3fl9G-3gmsA:
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.
3hq0 CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
alkylphenolica) 		PF00903
(Glyoxalase) 		5 LEU A  86
LEU A 173
VAL A   6
ILE A 118
THR A  78
 None
 1.12A 3fl9G-3hq0A:
undetectable		 3fl9G-3hq0A:
18.93
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) 		8 ALA X   7
LEU X  20
VAL X  31
ILE X  50
LEU X  54
PHE X  92
TYR X  98
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)
None
N22  X 219 (-4.4A)
 0.77A 3fl9G-3i8aX:
24.6		 3fl9G-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) 		8 LEU X  20
LEU X  28
VAL X  31
ILE X  50
LEU X  54
PHE X  92
TYR X  98
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)
None
N22  X 219 (-4.4A)
 0.76A 3fl9G-3i8aX:
24.6		 3fl9G-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) 		7 ALA A   8
GLU A  28
LEU A  29
ILE A  51
LEU A  55
TYR A 102
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)
None
MTX  A 164 (-4.3A)
 0.72A 3fl9G-3ia4A:
25.3		 3fl9G-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)
 0.69A 3fl9G-3ix9A:
24.6		 3fl9G-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.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ALA A 420
LEU A 590
LEU A 607
ILE A 571
THR A 419
 None
 1.03A 3fl9G-3j08A:
undetectable		 3fl9G-3j08A:
13.73
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 ALA A 420
LEU A 590
LEU A 607
ILE A 571
THR A 419
 None
 0.94A 3fl9G-3j09A:
2.6		 3fl9G-3j09A:
13.09
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.
3kc2 UNCHARACTERIZED
PROTEIN YKR070W

(Saccharomyces
cerevisiae) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ASN A  42
LEU A  41
VAL A 296
LEU A  24
THR A 347
 None
 0.98A 3fl9G-3kc2A:
2.3		 3fl9G-3kc2A:
17.49
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.
3ltl BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 1

(Homo sapiens) 		PF01369
(Sec7) 		5 ASN A 856
LEU A 865
ILE A 873
TYR A 808
THR A 816
 None
 1.11A 3fl9G-3ltlA:
undetectable		 3fl9G-3ltlA:
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.
3nap CAPSID PROTEIN

(Triatoma virus) 		PF00073
(Rhv) 		5 ALA B 113
LEU B 110
VAL B 236
LEU B 151
PHE B 106
 None
 0.98A 3fl9G-3napB:
undetectable		 3fl9G-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.
3pdw UNCHARACTERIZED
HYDROLASE YUTF

(Bacillus
subtilis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 LEU A 204
VAL A 206
ILE A 258
LEU A  34
PHE A  30
 None
 1.01A 3fl9G-3pdwA:
undetectable		 3fl9G-3pdwA:
20.30
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.
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
 1.09A 3fl9G-3pgyA:
undetectable		 3fl9G-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.
3pw3 AMINOPEPTIDASE C

(Parabacteroides
distasonis) 		PF03051
(Peptidase_C1_2) 		5 ALA A 259
LEU A 394
LEU A 247
TYR A 357
THR A 262
 None
 1.14A 3fl9G-3pw3A:
undetectable		 3fl9G-3pw3A:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 LEU A 146
ILE A  72
LEU A  28
PHE A  76
TYR A 117
 None
 1.04A 3fl9G-3q3hA:
undetectable		 3fl9G-3q3hA:
15.64
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.
3qhq SAG0897 FAMILY
CRISPR-ASSOCIATED
PROTEIN

(Streptococcus
agalactiae) 		PF09711
(Cas_Csn2) 		5 LEU A  32
LEU A 196
VAL A 166
ILE A   4
LEU A  15
 None
 0.94A 3fl9G-3qhqA:
undetectable		 3fl9G-3qhqA:
22.11
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)
 0.60A 3fl9G-3tq9A:
24.1		 3fl9G-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.
3wdn GLYCINE CLEAVAGE
SYSTEM H PROTEIN,
MITOCHONDRIAL

(Bos taurus) 		PF01597
(GCV_H) 		5 ALA A  61
LEU A  31
GLU A  56
ILE A  23
LEU A  96
 None
 1.14A 3fl9G-3wdnA:
undetectable		 3fl9G-3wdnA:
19.51
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.
4ab4 XENOBIOTIC REDUCTASE
B

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 ASN A  17
LEU A  15
ILE A  20
LEU A  53
PHE A 258
 None
 1.12A 3fl9G-4ab4A:
undetectable		 3fl9G-4ab4A:
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.
4ags THIOL-DEPENDENT
REDUCTASE 1

(Leishmania
infantum) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		5 ALA A 177
LEU A 117
VAL A 219
ILE A 212
TYR A 235
 None
 1.08A 3fl9G-4agsA:
undetectable		 3fl9G-4agsA:
16.30
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 402
LEU A 487
VAL A 490
ILE A 395
LEU A 514
 None
 1.15A 3fl9G-4c2tA:
undetectable		 3fl9G-4c2tA:
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.
4eba MRNA
3'-END-PROCESSING
PROTEIN RNA14

(Kluyveromyces
lactis) 		PF05843
(Suf) 		5 LEU A 261
LEU A 273
ILE A  84
LEU A  74
PHE A  78
 None
 1.07A 3fl9G-4ebaA:
undetectable		 3fl9G-4ebaA:
13.85
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
LEU X  25
GLU X  32
LEU X  72
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
None
TOP  X 301 (-4.5A)
 0.84A 3fl9G-4g8zX:
19.6		 3fl9G-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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
LEU A  25
GLU A  32
LEU A  69
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
None
None
14Q  A 302 (-4.2A)
 0.87A 3fl9G-4h98A:
18.7		 3fl9G-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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 LEU A  25
GLU A  32
ILE A  62
LEU A  69
TYR A 127
 14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
None
None
 1.02A 3fl9G-4h98A:
18.7		 3fl9G-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.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis) 		PF00696
(AA_kinase) 		5 ALA A  45
LEU A 305
VAL A 302
ILE A   9
LEU A 235
 None
 1.05A 3fl9G-4jz7A:
undetectable		 3fl9G-4jz7A:
17.52
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)
 0.44A 3fl9G-4m7vA:
24.8		 3fl9G-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.
4ol0 TRANSPORTIN-3

(Homo sapiens) 		PF08389
(Xpo1) 		5 ALA B 244
LEU B 228
VAL B 231
ILE B 298
LEU B 276
 None
 1.13A 3fl9G-4ol0B:
undetectable		 3fl9G-4ol0B:
10.97
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.
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
 1.14A 3fl9G-4q2nA:
undetectable		 3fl9G-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.
4r8x URICASE

(Bacillus
fastidiosus) 		PF01014
(Uricase) 		5 ALA A 224
LEU A  22
GLU A 226
VAL A 144
TYR A 208
 None
 0.79A 3fl9G-4r8xA:
undetectable		 3fl9G-4r8xA:
21.56
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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 LEU A   4
VAL A  76
ILE A  14
LEU A  90
PHE A  43
 None
 1.10A 3fl9G-4s17A:
undetectable		 3fl9G-4s17A:
16.85
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.
4tma DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		5 LEU B 580
VAL B 584
ILE B 707
LEU B 726
TYR B 611
 None
 1.15A 3fl9G-4tmaB:
undetectable		 3fl9G-4tmaB:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v2e FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 3

(Mus musculus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ASN A  71
LEU A  95
LEU A  90
ILE A  75
LEU A  79
 None
 1.12A 3fl9G-4v2eA:
undetectable		 3fl9G-4v2eA:
16.93
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.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 LEU A 234
VAL A  18
ILE A 225
TYR A 157
THR A  91
 None
NAI  A 500 (-4.0A)
None
None
None
 1.00A 3fl9G-4yacA:
2.5		 3fl9G-4yacA:
18.39
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.
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 3fl9G-4yqyA:
2.1		 3fl9G-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.
5ag9 GINGIPAIN R2

(Porphyromonas
gingivalis) 		PF03785
(Peptidase_C25_C) 		5 ALA A 595
ASN A 633
LEU A 632
LEU A 642
VAL A 660
 None
 1.09A 3fl9G-5ag9A:
undetectable		 3fl9G-5ag9A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Schizosaccharomyces
pombe) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		5 ALA I 365
LEU I 384
ILE I 401
LEU I  34
THR I 348
 None
 1.02A 3fl9G-5b04I:
undetectable		 3fl9G-5b04I:
11.80
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.
5bsw 4-COUMARATE--COA
LIGASE 2

(Nicotiana
tabacum) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 267
LEU A 299
VAL A 302
ILE A 288
PHE A 280
 None
 1.14A 3fl9G-5bswA:
undetectable		 3fl9G-5bswA:
13.44
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.
5c0u ALKYLMERCURY LYASE

(Escherichia
coli) 		PF03243
(MerB)
PF12324
(HTH_15) 		5 LEU A  28
VAL A  14
ILE A 102
PHE A 199
THR A  20
 None
 1.13A 3fl9G-5c0uA:
undetectable		 3fl9G-5c0uA:
19.73
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.
5cbk SHHTL5

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 ALA A 120
ASN A 231
LEU A 228
VAL A 220
TYR A 196
 None
 1.01A 3fl9G-5cbkA:
undetectable		 3fl9G-5cbkA:
20.43
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.
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 3fl9G-5dkuA:
undetectable		 3fl9G-5dkuA:
12.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ALA A   7
ILE A  67
LEU A  71
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.89A 3fl9G-5dxvA:
14.8		 3fl9G-5dxvA:
33.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 MET A   5
ALA A   7
GLU A  27
LEU A  53
TYR A 102
 5N1  A 202 (-4.8A)
5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 ( 4.7A)
None
 0.90A 3fl9G-5ecxA:
22.6		 3fl9G-5ecxA:
31.90
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ALA B 531
ASN B 624
GLU B 535
ILE B 777
THR B 532
 None
 1.13A 3fl9G-5eduB:
undetectable		 3fl9G-5eduB:
11.24
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 ALA A 760
LEU A 758
LEU A 750
ILE A 715
LEU A 713
 None
 1.11A 3fl9G-5j44A:
undetectable		 3fl9G-5j44A:
9.30
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.
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
 1.14A 3fl9G-5kbfA:
undetectable		 3fl9G-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.
5kvm ADHESION G-PROTEIN
COUPLED RECEPTOR G1

(Mus musculus) 		PF01825
(GPS) 		5 ALA A 235
LEU A 183
LEU A 212
LEU A 298
PHE A 293
 None
 1.08A 3fl9G-5kvmA:
undetectable		 3fl9G-5kvmA:
16.95
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.
5mz8 ALDEHYDE
DEHYDROGENASE 21

(Physcomitrella
patens) 		PF00171
(Aldedh) 		5 ALA A 178
LEU A 174
LEU A  93
VAL A  89
ILE A 205
 None
 1.10A 3fl9G-5mz8A:
undetectable		 3fl9G-5mz8A:
15.59
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 ALA A 352
LEU A 470
GLU A 356
VAL A 198
THR A 353
 None
 1.06A 3fl9G-5nitA:
undetectable		 3fl9G-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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
LEU A  23
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
None
None
73X  A 704 (-4.2A)
 0.79A 3fl9G-5t0lA:
19.8		 3fl9G-5t0lA:
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.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		5 LEU A 430
LEU A 198
VAL A 184
ILE A 213
PHE A 115
 None
 1.04A 3fl9G-5t81A:
undetectable		 3fl9G-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.
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
 1.07A 3fl9G-5uxnA:
undetectable		 3fl9G-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
 1.12A 3fl9G-5vcxA:
undetectable		 3fl9G-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.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 ALA B 411
ASN B 184
LEU B 187
LEU B 395
PHE B 389
 None
 1.07A 3fl9G-5w3jB:
undetectable		 3fl9G-5w3jB:
16.07
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.
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 3fl9G-5wypA:
undetectable		 3fl9G-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.
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)
 1.34A 3fl9G-5y2vA:
2.5		 3fl9G-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)
 1.45A 3fl9G-5y2wA:
undetectable		 3fl9G-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.
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)
 0.69A 3fl9G-6e4eA:
24.7		 3fl9G-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)
 0.68A 3fl9G-6e4eA:
24.7		 3fl9G-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.
6fkh ATP SYNTHASE GAMMA
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 5 ASN g 301
LEU g 300
LEU g 230
VAL g 210
ILE g 194
 None
 0.99A 3fl9G-6fkhg:
undetectable		 3fl9G-6fkhg:
18.79