SIMILAR PATTERNS OF AMINO ACIDS FOR 3FL9_B_TOPB200_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
 1.11A 3fl9B-1b25A:
undetectable		 3fl9B-1b25A:
14.73
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.
1cvr GINGIPAIN R

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		5 ALA A 366
ASN A 404
LEU A 403
LEU A 413
VAL A 431
 None
 1.12A 3fl9B-1cvrA:
undetectable		 3fl9B-1cvrA:
17.92
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.
1dcn DELTA 2 CRYSTALLIN

(Anas
platyrhynchos) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 LEU A 123
VAL A 338
ILE A 196
LEU A 131
PHE A 244
 None
 1.07A 3fl9B-1dcnA:
undetectable		 3fl9B-1dcnA:
16.52
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)
 1.00A 3fl9B-1dr6A:
20.1		 3fl9B-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.
1g43 SCAFFOLDING PROTEIN

([Clostridium]
cellulolyticum) 		PF00942
(CBM_3) 		5 ALA A  24
LEU A  43
VAL A  97
ILE A 112
LEU A  99
 None
 1.12A 3fl9B-1g43A:
undetectable		 3fl9B-1g43A:
20.22
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.
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
 1.04A 3fl9B-1gmiA:
undetectable		 3fl9B-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.
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
 0.96A 3fl9B-1ks8A:
undetectable		 3fl9B-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 3fl9B-1kspA:
undetectable		 3fl9B-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
 1.10A 3fl9B-1m2vB:
undetectable		 3fl9B-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.
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
 1.10A 3fl9B-1p68A:
undetectable		 3fl9B-1p68A:
20.48
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)
 0.72A 3fl9B-1u70A:
19.9		 3fl9B-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)
 1.00A 3fl9B-1u70A:
19.9		 3fl9B-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) 		6 ALA A   9
GLU A  30
ILE A  60
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.93A 3fl9B-1u71A:
20.2		 3fl9B-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.
1v9d DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF02181
(FH2) 		5 ASN A 859
LEU A 869
ILE A 857
LEU A 877
PHE A 850
 None
 1.13A 3fl9B-1v9dA:
undetectable		 3fl9B-1v9dA:
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.
1xco PHOSPHATE
ACETYLTRANSFERASE

(Bacillus
subtilis) 		PF01515
(PTA_PTB) 		5 LEU A 137
LEU A 295
VAL A 299
ILE A 169
THR A 110
 None
 1.10A 3fl9B-1xcoA:
undetectable		 3fl9B-1xcoA:
19.48
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.
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 3fl9B-2c81A:
undetectable		 3fl9B-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
 1.11A 3fl9B-2d2xA:
undetectable		 3fl9B-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.
2eno SYNAPTOJANIN-2-BINDI
NG PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  95
LEU A  30
LEU A 101
VAL A  75
ILE A  34
 None
 0.91A 3fl9B-2enoA:
undetectable		 3fl9B-2enoA:
17.26
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.
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 3fl9B-2iy8A:
undetectable		 3fl9B-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.
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
 1.13A 3fl9B-2lbfB:
undetectable		 3fl9B-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.
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)
 0.73A 3fl9B-2oipA:
20.2		 3fl9B-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 LEU A  33
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.81A 3fl9B-2oipA:
20.2		 3fl9B-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
 1.05A 3fl9B-2pjzA:
undetectable		 3fl9B-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
 1.02A 3fl9B-2pv7A:
undetectable		 3fl9B-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) 		7 ASN A  20
LEU A  21
GLU A  28
LEU A  29
PHE A  96
TYR A 102
THR A 115
 None
MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 3.9A)
None
MTX  A 200 ( 4.4A)
 0.90A 3fl9B-2qk8A:
27.8		 3fl9B-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) 		11 MET A   6
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 ( 4.1A)
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 3fl9B-2qk8A:
27.8		 3fl9B-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
 0.84A 3fl9B-2rvjA:
undetectable		 3fl9B-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.
2vfk AKAP18 DELTA

(Homo sapiens) 		PF10469
(AKAP7_NLS) 		5 ALA A 204
LEU A  94
VAL A 160
ILE A  96
LEU A 262
 None
 1.13A 3fl9B-2vfkA:
undetectable		 3fl9B-2vfkA:
23.11
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.
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
 1.04A 3fl9B-2vtcA:
undetectable		 3fl9B-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)
 0.77A 3fl9B-2w9sA:
24.6		 3fl9B-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.
2wl7 DISKS LARGE HOMOLOG
2

(Mus musculus) 		PF00595
(PDZ) 		5 ALA A 175
LEU A 110
LEU A 181
VAL A 155
ILE A 114
 None
 1.12A 3fl9B-2wl7A:
undetectable		 3fl9B-2wl7A:
20.86
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.
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
 1.04A 3fl9B-2x8uA:
2.4		 3fl9B-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.
2yq4 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASN A 292
VAL A 241
ILE A 255
LEU A 223
THR A 262
 None
 1.13A 3fl9B-2yq4A:
undetectable		 3fl9B-2yq4A:
20.73
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.
3b9j XANTHINE OXIDASE

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU B 312
VAL B 330
ILE B 407
LEU B 348
PHE B 365
 None
 1.13A 3fl9B-3b9jB:
undetectable		 3fl9B-3b9jB:
18.79
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.
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
 1.05A 3fl9B-3c7kA:
undetectable		 3fl9B-3c7kA:
15.96
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.
3f43 PUTATIVE ANTI-SIGMA
FACTOR ANTAGONIST
TM1081

(Thermotoga
maritima) 		PF01740
(STAS) 		5 GLU A  18
LEU A  19
VAL A  50
ILE A  61
LEU A  45
 None
 1.05A 3fl9B-3f43A:
undetectable		 3fl9B-3f43A:
20.59
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.
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
 1.05A 3fl9B-3ggrA:
undetectable		 3fl9B-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.
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 3fl9B-3gmsA:
3.3		 3fl9B-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
 1.10A 3fl9B-3hq0A:
undetectable		 3fl9B-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)
 0.76A 3fl9B-3i8aX:
24.6		 3fl9B-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)
 0.72A 3fl9B-3i8aX:
24.6		 3fl9B-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)
 0.69A 3fl9B-3ia4A:
25.5		 3fl9B-3ia4A:
44.85
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.
3ief TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Bartonella
henselae) 		PF01746
(tRNA_m1G_MT) 		5 ALA A 142
LEU A  92
VAL A 129
ILE A 150
LEU A 100
 None
 1.10A 3fl9B-3iefA:
undetectable		 3fl9B-3iefA:
22.50
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)
 0.70A 3fl9B-3ix9A:
24.6		 3fl9B-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.
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
 0.97A 3fl9B-3kc2A:
undetectable		 3fl9B-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
 1.02A 3fl9B-3ltlA:
undetectable		 3fl9B-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
 1.09A 3fl9B-3napB:
undetectable		 3fl9B-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
 0.98A 3fl9B-3pdwA:
undetectable		 3fl9B-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
 1.07A 3fl9B-3pgyA:
undetectable		 3fl9B-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.
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
 1.08A 3fl9B-3q3hA:
undetectable		 3fl9B-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
 1.04A 3fl9B-3qhqA:
undetectable		 3fl9B-3qhqA:
22.11
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.
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
 1.12A 3fl9B-3rd7A:
undetectable		 3fl9B-3rd7A:
17.41
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.
3rl7 DISKS LARGE HOMOLOG
1

(Homo sapiens) 		no annotation 5 ALA B 299
LEU B 234
LEU B 305
VAL B 279
ILE B 238
 None
 1.11A 3fl9B-3rl7B:
undetectable		 3fl9B-3rl7B:
21.08
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.
3siu U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP31

(Homo sapiens) 		PF01798
(Nop) 		5 ALA B 171
LEU B 142
ILE B 164
LEU B 159
THR B 174
 None
 1.11A 3fl9B-3siuB:
undetectable		 3fl9B-3siuB:
24.19
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)
 0.61A 3fl9B-3tq9A:
24.2		 3fl9B-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
 1.11A 3fl9B-3wdnA:
undetectable		 3fl9B-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
 1.10A 3fl9B-4ab4A:
undetectable		 3fl9B-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
 1.09A 3fl9B-4agsA:
undetectable		 3fl9B-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.
4fho INTERNALIN C2

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6) 		5 ALA A  56
LEU A  81
LEU A 105
VAL A  88
ILE A  94
 None
 1.13A 3fl9B-4fhoA:
undetectable		 3fl9B-4fhoA:
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.
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)
 0.82A 3fl9B-4g8zX:
19.7		 3fl9B-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
ASN A  24
LEU A  25
GLU A  32
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
None
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
None
14Q  A 302 (-4.2A)
 0.81A 3fl9B-4h98A:
18.1		 3fl9B-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) 		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)
 0.81A 3fl9B-4h98A:
18.1		 3fl9B-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
 1.00A 3fl9B-4h98A:
18.1		 3fl9B-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.
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
 1.02A 3fl9B-4l7mA:
undetectable		 3fl9B-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
 1.11A 3fl9B-4m4wJ:
undetectable		 3fl9B-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)
 0.51A 3fl9B-4m7vA:
24.8		 3fl9B-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.
4oxx CINDOXIN

(Citrobacter
braakii) 		PF00258
(Flavodoxin_1) 		5 LEU A  82
LEU A  45
ILE A  52
PHE A  71
THR A  78
 None
 1.12A 3fl9B-4oxxA:
undetectable		 3fl9B-4oxxA:
20.53
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.
4ptx GLYCOSIDE HYDROLASE
FAMILY 1

(Halothermothrix
orenii) 		PF00232
(Glyco_hydro_1) 		5 LEU A 271
LEU A 191
ILE A 266
LEU A 263
PHE A 310
 None
 1.13A 3fl9B-4ptxA:
undetectable		 3fl9B-4ptxA:
17.07
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 ALA A  57
LEU A 206
ILE A 100
LEU A 146
THR A  60
 None
 1.11A 3fl9B-4q2cA:
undetectable		 3fl9B-4q2cA:
9.81
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.
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
 1.03A 3fl9B-4q2nA:
undetectable		 3fl9B-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 3fl9B-4r8xA:
undetectable		 3fl9B-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
 1.04A 3fl9B-4s17A:
undetectable		 3fl9B-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
 1.12A 3fl9B-4tmaB:
undetectable		 3fl9B-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.
4xkj D-LACTATE
DEHYDROGENASE

(Sporolactobacillus
inulinus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASN A 289
VAL A 238
ILE A 252
LEU A 220
THR A 259
 None
 1.11A 3fl9B-4xkjA:
undetectable		 3fl9B-4xkjA:
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.
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 3fl9B-4yacA:
2.2		 3fl9B-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
 1.12A 3fl9B-4yqyA:
undetectable		 3fl9B-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
 1.06A 3fl9B-5ag9A:
undetectable		 3fl9B-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.
5cbk SHHTL5

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 ALA A 120
ASN A 231
LEU A 228
VAL A 220
TYR A 196
 None
 0.96A 3fl9B-5cbkA:
undetectable		 3fl9B-5cbkA:
20.43
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)
 0.90A 3fl9B-5dxvA:
15.1		 3fl9B-5dxvA:
33.52
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 LEU A  45
ILE A  67
LEU A  71
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.91A 3fl9B-5dxvA:
15.1		 3fl9B-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
 0.91A 3fl9B-5ecxA:
22.7		 3fl9B-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.
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
 1.09A 3fl9B-5evyX:
undetectable		 3fl9B-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.
5gzs GGDEF FAMILY PROTEIN

(Vibrio cholerae) 		PF00497
(SBP_bac_3) 		5 ALA A 185
GLU A 122
LEU A  89
TYR A 164
THR A 124
 ARG  A 501 ( 3.9A)
ARG  A 501 (-2.7A)
None
None
None
 1.12A 3fl9B-5gzsA:
undetectable		 3fl9B-5gzsA:
17.90
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.
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
 1.08A 3fl9B-5j44A:
undetectable		 3fl9B-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.
5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 LEU A 221
ILE A  56
LEU A  49
PHE A  51
THR A 227
 None
 1.10A 3fl9B-5kreA:
undetectable		 3fl9B-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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 ALA A 352
LEU A 470
GLU A 356
VAL A 198
THR A 353
 None
 1.09A 3fl9B-5nitA:
undetectable		 3fl9B-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)
 0.81A 3fl9B-5t0lA:
19.7		 3fl9B-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
 1.05A 3fl9B-5t81A:
undetectable		 3fl9B-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.
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
 1.04A 3fl9B-5vcxA:
undetectable		 3fl9B-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
 1.04A 3fl9B-5wypA:
undetectable		 3fl9B-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
 1.12A 3fl9B-5xepA:
undetectable		 3fl9B-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
 1.08A 3fl9B-5xfaA:
undetectable		 3fl9B-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)
 1.25A 3fl9B-5y2vA:
undetectable		 3fl9B-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)
 1.36A 3fl9B-5y2wA:
undetectable		 3fl9B-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.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		5 ALA A  81
LEU A  32
ILE A  60
LEU A 106
THR A  80
 EDO  A 402 (-3.7A)
None
None
None
None
 1.13A 3fl9B-6ao1A:
undetectable		 3fl9B-6ao1A:
18.08
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.
6ap4 DNA POLYMERASE III
SUBUNIT BETA

(Acinetobacter
baumannii) 		no annotation 5 ALA A 173
LEU A 171
LEU A 139
ILE A 223
LEU A 228
 None
 1.13A 3fl9B-6ap4A:
undetectable		 3fl9B-6ap4A:
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.
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)
 0.68A 3fl9B-6e4eA:
24.6		 3fl9B-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)
 0.64A 3fl9B-6e4eA:
24.6		 3fl9B-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.
6eu2 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC3

(Saccharomyces
cerevisiae) 		no annotation 5 ALA O 315
ASN O 454
LEU O 457
LEU O 468
VAL O 478
 None
 1.13A 3fl9B-6eu2O:
undetectable		 3fl9B-6eu2O:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 3fl9B-6fkhg:
undetectable		 3fl9B-6fkhg:
18.79