SIMILAR PATTERNS OF AMINO ACIDS FOR 2BLA_A_CP6A302_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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  27
PHE A  31
ILE A 100
THR A 121
 None
 0.49A 2blaA-1cz3A:
17.9		 2blaA-1cz3A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ASP A  27
PHE A  31
ILE A  51
ILE A 100
THR A 121
 None
 0.71A 2blaA-1cz3A:
17.9		 2blaA-1cz3A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dci DIENOYL-COA
ISOMERASE

(Rattus
norvegicus) 		PF00378
(ECH_1) 		5 ALA A 190
MET A 112
PHE A 113
ILE A 178
THR A 187
 None
 1.17A 2blaA-1dciA:
undetectable		 2blaA-1dciA:
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 ( 4.1A)
None
None
HBI  A 198 ( 4.5A)
 0.45A 2blaA-1dr6A:
22.5		 2blaA-1dr6A:
28.11
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.
1k77 HYPOTHETICAL PROTEIN
YGBM

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		5 ILE A 164
ALA A 120
PHE A 122
ILE A  87
ILE A 126
 None
 1.12A 2blaA-1k77A:
undetectable		 2blaA-1k77A:
21.17
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.
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 502
ASP A 355
ILE A 489
ILE A 471
THR A 505
 None
 1.27A 2blaA-1kspA:
undetectable		 2blaA-1kspA:
19.03
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.
1qxy METHIONYL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00557
(Peptidase_M24) 		5 ILE A 107
ALA A 230
PHE A 109
ILE A  84
ILE A  92
 None
 1.09A 2blaA-1qxyA:
undetectable		 2blaA-1qxyA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
None
MTX  A 187 (-4.4A)
 0.71A 2blaA-1u70A:
22.4		 2blaA-1u70A:
29.44
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
 0.65A 2blaA-1u71A:
22.3		 2blaA-1u71A:
28.63
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.
1y0y FRV OPERON PROTEIN
FRVX

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		5 ILE A 190
ALA A 186
ASP A 183
ILE A 303
ILE A  65
 None
None
ZN  A1001 ( 4.2A)
None
None
 1.25A 2blaA-1y0yA:
undetectable		 2blaA-1y0yA:
21.28
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.
1z4e TRANSCRIPTIONAL
REGULATOR

(Bacillus
halodurans) 		PF00583
(Acetyltransf_1) 		5 ALA A  10
ASP A  14
ILE A 102
ILE A   7
THR A  11
 None
 1.19A 2blaA-1z4eA:
undetectable		 2blaA-1z4eA:
20.50
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  50
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
None
 0.53A 2blaA-1zdrA:
19.9		 2blaA-1zdrA:
25.61
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.
2aye REGULATORY PROTEIN
E2

(Alphapapillomavirus
10) 		PF00511
(PPV_E2_C) 		5 ILE A 350
PHE A 299
SER A 314
ILE A 313
THR A 353
 None
 1.10A 2blaA-2ayeA:
undetectable		 2blaA-2ayeA:
16.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		10 ILE A  13
ALA A  15
ASP A  53
MET A  54
PHE A  57
SER A 120
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.75A 2blaA-2blbA:
34.6		 2blaA-2blbA:
98.74
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.
2csg PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF07350
(DUF1479) 		5 ILE A  74
ALA A  70
PHE A 161
SER A 336
ILE A  64
 None
 1.26A 2blaA-2csgA:
undetectable		 2blaA-2csgA:
20.55
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.
2gza TYPE IV SECRETION
SYSTEM PROTEIN
VIRB11

(Brucella suis) 		PF00437
(T2SSE) 		5 ILE A 208
ALA A 242
SER A 275
ILE A 256
THR A 240
 None
 1.25A 2blaA-2gzaA:
undetectable		 2blaA-2gzaA:
20.11
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  28
ASP A  48
MET A  49
PHE A  52
SER A  83
ILE A  84
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
NAP  A 523 ( 4.4A)
None
None
None
None
 0.66A 2blaA-2h2qA:
20.5		 2blaA-2h2qA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4s GENERAL SECRETION
PATHWAY PROTEIN C

(Vibrio cholerae) 		no annotation 5 ALA A 213
PHE A 305
SER A 252
ILE A 253
ILE A 221
 None
 1.22A 2blaA-2i4sA:
undetectable		 2blaA-2i4sA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inv INSULIN
FRUCTOTRANSFERASE

(Bacillus sp.
snu-7) 		no annotation 5 ILE A  81
ALA A  99
ILE A 153
ILE A  78
THR A  54
 None
 1.07A 2blaA-2invA:
undetectable		 2blaA-2invA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 278
ALA A 283
PHE A 254
ILE A 125
THR A 282
 None
 1.21A 2blaA-2jamA:
undetectable		 2blaA-2jamA:
23.41
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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 279
ALA A 284
PHE A 255
ILE A 125
THR A 283
 None
 1.21A 2blaA-2jc6A:
undetectable		 2blaA-2jc6A:
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.
2kyr FRUCTOSE-LIKE
PHOSPHOTRANSFERASE
ENZYME IIB COMPONENT
1

(Escherichia
coli) 		PF02302
(PTS_IIB) 		5 ALA A  58
SER A  64
ILE A  83
ILE A  99
TYR A  34
 None
 1.27A 2blaA-2kyrA:
undetectable		 2blaA-2kyrA:
17.36
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
ASP A  32
PHE A  36
SER A  61
ILE A  62
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
None
MTX  A 605 ( 4.2A)
 0.72A 2blaA-2oipA:
22.2		 2blaA-2oipA:
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.
2p2e PUTATIVE FE-S
BIOSYNTHESIS PROTEIN

(Lactobacillus
salivarius) 		PF01521
(Fe-S_biosyn) 		5 ILE A   5
PHE A  75
SER A 115
ILE A 116
ILE A  91
 None
 1.11A 2blaA-2p2eA:
undetectable		 2blaA-2p2eA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		5 ILE A  12
ASN A  38
ILE A  41
TYR A  90
THR A  87
 None
KDF  A1314 ( 4.2A)
None
KDF  A1314 ( 4.0A)
None
 1.16A 2blaA-2varA:
undetectable		 2blaA-2varA:
22.63
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 ALA A  11
ASP A  31
PHE A  35
SER A  53
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.65A 2blaA-2w3wA:
20.3		 2blaA-2w3wA:
23.87
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
SER A  49
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.59A 2blaA-2w9sA:
19.6		 2blaA-2w9sA:
28.16
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ILE A   5
ASP A  27
SER A  49
ILE A  50
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 4.5A)
 0.88A 2blaA-2w9sA:
19.6		 2blaA-2w9sA:
28.16
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.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		5 ALA A 265
ASP A 264
PHE A 262
ILE A 431
ILE A 260
 None
 1.16A 2blaA-2xdrA:
undetectable		 2blaA-2xdrA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqc COMPONENT A OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		no annotation 5 ILE A 125
ASP A  58
SER A  76
ILE A  50
ILE A 102
 None
 1.26A 2blaA-3aqcA:
undetectable		 2blaA-3aqcA:
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.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		5 ILE A 291
PHE A 245
SER A 212
ILE A 171
THR A 289
 None
 1.26A 2blaA-3bilA:
undetectable		 2blaA-3bilA:
21.10
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.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		5 ILE A 290
PHE A  40
ASN A  91
ILE A  68
ILE A  92
 None
 1.27A 2blaA-3bjeA:
undetectable		 2blaA-3bjeA:
22.49
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.
3cpg UNCHARACTERIZED
PROTEIN

(Bifidobacterium
adolescentis) 		PF01168
(Ala_racemase_N) 		5 ILE A 267
ALA A  55
MET A  74
SER A 258
THR A  56
 None
 0.89A 2blaA-3cpgA:
undetectable		 2blaA-3cpgA:
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
PHE A  30
SER A  48
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.56A 2blaA-3dfrA:
21.0		 2blaA-3dfrA:
22.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		10 ILE A  14
ALA A  16
ASP A  54
MET A  55
PHE A  58
ASN A 108
SER A 111
ILE A 112
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.4A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.70A 2blaA-3dg8A:
31.0		 2blaA-3dg8A:
54.45
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.
3e4f AMINOGLYCOSIDE
N3-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF02522
(Antibiotic_NAT) 		5 ILE A  17
ASN A 242
SER A   7
ILE A   4
ILE A  41
 None
 1.22A 2blaA-3e4fA:
undetectable		 2blaA-3e4fA:
22.30
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.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		5 ALA A 214
ASP A 170
MET A 128
ILE A  67
TYR A 242
 None
 1.18A 2blaA-3g6lA:
undetectable		 2blaA-3g6lA:
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.
3he1 MAJOR EXPORTED HCP3
PROTEIN

(Pseudomonas
aeruginosa) 		PF05638
(T6SS_HCP) 		5 ILE A  17
ALA A  21
ASP A  75
ILE A  96
ILE A   9
 None
 1.28A 2blaA-3he1A:
undetectable		 2blaA-3he1A:
22.85
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ILE B 394
ALA B 397
ASN B 155
SER B 157
ILE B 153
 None
 1.13A 2blaA-3hkzB:
undetectable		 2blaA-3hkzB:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
ASP X  27
SER X  49
ILE X  50
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
N22  X 219 (-4.4A)
 0.87A 2blaA-3i8aX:
19.5		 2blaA-3i8aX:
27.92
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
ASP X  27
SER X  49
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-3.3A)
None
N22  X 219 (-4.4A)
 0.73A 2blaA-3i8aX:
19.5		 2blaA-3i8aX:
27.92
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
PHE A  32
SER A  50
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 ( 3.8A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.56A 2blaA-3ia4A:
19.9		 2blaA-3ia4A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
SER A  72
ILE A  73
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
None
 0.63A 2blaA-3kjrA:
22.8		 2blaA-3kjrA:
19.08
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ILE B  78
ALA B  82
ASN B  49
ILE B 175
ILE B  53
 None
 1.27A 2blaA-3m2rB:
undetectable		 2blaA-3m2rB:
19.01
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 ILE A 319
ALA A 296
PHE A  79
ASN A  61
ILE A  62
 None
 1.26A 2blaA-3nzpA:
undetectable		 2blaA-3nzpA:
17.75
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.
3p11 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 ILE A 374
ASP A 343
ILE A 435
ILE A 399
THR A 315
 None
 1.18A 2blaA-3p11A:
undetectable		 2blaA-3p11A:
19.02
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 ALA A 253
ASP A 166
ASN A 664
TYR A 594
THR A 252
 None
 1.16A 2blaA-3pvcA:
undetectable		 2blaA-3pvcA:
15.22
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.
3pz6 LEUCYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00133
(tRNA-synt_1) 		5 ILE A 367
ALA A 373
ASN A 383
ILE A 361
THR A 431
 None
 1.16A 2blaA-3pz6A:
undetectable		 2blaA-3pz6A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
ASP A  54
PHE A  58
SER A  89
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.65A 2blaA-3rg9A:
20.1		 2blaA-3rg9A:
27.80
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.57A 2blaA-3tq9A:
20.0		 2blaA-3tq9A:
25.91
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ILE A   6
ASP A  28
SER A  50
ILE A  51
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 (-2.7A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.75A 2blaA-3tq9A:
20.0		 2blaA-3tq9A:
25.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A  54
MET A  55
SER A 111
ILE A 112
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 (-4.3A)
 0.98A 2blaA-3um6A:
31.3		 2blaA-3um6A:
30.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.42A 2blaA-3um6A:
31.3		 2blaA-3um6A:
30.51
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  28
MET A  29
SER A  56
THR A 133
 None
 1.17A 2blaA-3vcoA:
19.9		 2blaA-3vcoA:
29.20
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
ASP A  28
PHE A  32
SER A  56
ILE A  57
ILE A 111
TYR A 117
THR A 133
 None
 0.87A 2blaA-3vcoA:
19.9		 2blaA-3vcoA:
29.20
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.
3x0u UNCHARACTERIZED
PROTEIN

(Vibrio
parahaemolyticus) 		PF03945
(Endotoxin_N) 		5 ILE A 353
ASP A 382
PHE A 380
ILE A 406
ILE A 311
 None
 1.12A 2blaA-3x0uA:
undetectable		 2blaA-3x0uA:
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.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		5 ALA A 173
ASP A 175
SER A  13
ILE A 137
ILE A 130
 None
 1.13A 2blaA-4a3sA:
undetectable		 2blaA-4a3sA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a42 ALPHA-N-ACETYLGLUCOS
AMINIDASE FAMILY
PROTEIN

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		5 ILE A1616
PHE A1604
ASN A1591
ILE A1576
ILE A1550
 None
 0.90A 2blaA-4a42A:
undetectable		 2blaA-4a42A:
21.83
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.
4am6 ACTIN-LIKE PROTEIN
ARP8

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 ILE A 750
SER A 652
ILE A 524
ILE A 707
TYR A 727
 None
 1.24A 2blaA-4am6A:
undetectable		 2blaA-4am6A:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amq L544

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 5 ILE A  80
PHE A 180
SER A 280
ILE A 281
ILE A 267
 None
 1.27A 2blaA-4amqA:
undetectable		 2blaA-4amqA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c82 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Plasmodium
falciparum) 		PF02542
(YgbB) 		5 ILE A 165
ALA A 132
ASN A 174
ILE A 208
ILE A 172
 None
 1.28A 2blaA-4c82A:
undetectable		 2blaA-4c82A:
25.86
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.
4ccl 50S RIBOSOMAL
PROTEIN L16 ARGININE
HYDROXYLASE

(Escherichia
coli) 		PF08007
(Cupin_4) 		5 PHE A  31
ASN A 197
SER A 114
ILE A 113
ILE A 134
 None
None
SO4  A1375 (-2.5A)
None
None
 1.27A 2blaA-4cclA:
undetectable		 2blaA-4cclA:
18.96
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 329
ALA A 379
PHE A 366
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
PCG  A1423 (-3.0A)
 1.02A 2blaA-4d7sA:
undetectable		 2blaA-4d7sA:
21.05
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.
4e09 PLASMID PARTITIONING
PROTEIN PARF

(Escherichia
coli) 		PF01656
(CbiA) 		5 ILE A  80
PHE A   6
ASN A  21
ILE A 166
ILE A  22
 None
None
None
ACP  A 301 (-4.2A)
None
 1.03A 2blaA-4e09A:
4.1		 2blaA-4e09A:
20.08
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.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 276
ALA A 281
PHE A 252
ILE A 122
THR A 280
 None
 1.16A 2blaA-4fg8A:
undetectable		 2blaA-4fg8A:
22.05
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ILE X  10
ALA X  12
PHE X  36
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.46A 2blaA-4g8zX:
21.3		 2blaA-4g8zX:
28.35
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ILE X  10
ALA X  12
PHE X  36
SER X  64
ILE X  65
ILE X 123
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.50A 2blaA-4g8zX:
21.3		 2blaA-4g8zX:
28.35
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
PHE A  36
SER A  61
ILE A  62
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.80A 2blaA-4h96A:
19.4		 2blaA-4h96A:
28.06
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
PHE A  36
SER A  61
ILE A  62
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.62A 2blaA-4h98A:
19.7		 2blaA-4h98A:
27.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 ILE A 133
ALA A 182
PHE A 139
ILE A   4
ILE A 129
 None
 1.24A 2blaA-4kpoA:
undetectable		 2blaA-4kpoA:
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
PHE A  31
SER A  49
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.61A 2blaA-4m2xA:
18.9		 2blaA-4m2xA:
23.87
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.38A 2blaA-4m7vA:
19.9		 2blaA-4m7vA:
25.93
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.
4nmi ECTD

(Virgibacillus
salexigens) 		PF05721
(PhyH) 		5 ILE A  94
ASN A 261
SER A 167
ILE A 168
ILE A 132
 None
 1.19A 2blaA-4nmiA:
undetectable		 2blaA-4nmiA:
21.90
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 166
ALA A 170
PHE A 150
ILE A 199
ILE A 163
 None
 1.26A 2blaA-4oc9A:
undetectable		 2blaA-4oc9A:
19.57
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
ASP A  27
PHE A  31
SER A  49
ILE A  50
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.60A 2blaA-4p68A:
20.3		 2blaA-4p68A:
24.18
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.
4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
 1.00A 2blaA-4qx5A:
undetectable		 2blaA-4qx5A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v03 SITE-DETERMINING
PROTEIN

(Aquifex
aeolicus) 		PF01656
(CbiA) 		5 ILE A 203
ASN A 145
SER A 150
ILE A 151
THR A 235
 None
 1.04A 2blaA-4v03A:
3.4		 2blaA-4v03A:
22.56
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.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
 1.09A 2blaA-4z07A:
undetectable		 2blaA-4z07A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dj4 SESTRIN-2

(Homo sapiens) 		PF04636
(PA26) 		5 ILE A 173
ALA A 467
ASN A 163
ILE A 115
ILE A 162
 None
 1.26A 2blaA-5dj4A:
undetectable		 2blaA-5dj4A:
18.68
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		5 ILE A  89
ALA A 220
ASN A  73
ILE A   5
ILE A 198
 None
 1.10A 2blaA-5dk6A:
undetectable		 2blaA-5dk6A:
20.28
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  48
SER A  66
ILE A  67
ILE A 111
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
 0.84A 2blaA-5dxvA:
11.7		 2blaA-5dxvA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
PHE A  48
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.39A 2blaA-5dxvA:
11.7		 2blaA-5dxvA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A 111
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.48A 2blaA-5dxvA:
11.7		 2blaA-5dxvA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f3y ANKYRIN REPEAT AND
SAM
DOMAIN-CONTAINING
PROTEIN 4B

(Mus musculus) 		no annotation 5 PHE B 275
ASN B 266
SER B 263
ILE B 264
ILE B 273
 None
 1.22A 2blaA-5f3yB:
undetectable		 2blaA-5f3yB:
15.98
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
SER A  50
ILE A  51
TYR A 101
THR A 114
 None
 0.62A 2blaA-5fdaA:
14.9		 2blaA-5fdaA:
25.00
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.
5gyk MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
12

(Saccharomyces
cerevisiae) 		PF10296
(MMM1) 		5 ILE A 157
PHE A 248
SER A 212
ILE A 213
ILE A 160
 None
 1.22A 2blaA-5gykA:
undetectable		 2blaA-5gykA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 ILE A 862
ALA A 780
ASN A 874
ILE A 878
ILE A 861
 None
 1.22A 2blaA-5h42A:
undetectable		 2blaA-5h42A:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kjv HYDROXYCINNAMOYL
TRANSFERASE

(Plectranthus
scutellarioides) 		PF02458
(Transferase) 		5 ALA A 276
ILE A 410
ILE A 362
TYR A 248
THR A 298
 None
 1.27A 2blaA-5kjvA:
undetectable		 2blaA-5kjvA:
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.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 ILE A  99
ALA A  80
MET A  75
ILE A 251
ILE A 282
 None
 1.06A 2blaA-5ksdA:
undetectable		 2blaA-5ksdA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA

(Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ILE B  78
ALA B  82
ASN B  49
ILE B 175
ILE B  53
 None
 1.28A 2blaA-5n1qB:
undetectable		 2blaA-5n1qB:
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.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		5 ILE A 216
ASN A 267
SER A 270
ILE A 271
ILE A 217
 None
 1.10A 2blaA-5nvrA:
undetectable		 2blaA-5nvrA:
12.80
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
ASP A  31
PHE A  35
SER A  86
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
None
73X  A 704 (-4.2A)
 0.67A 2blaA-5t0lA:
22.8		 2blaA-5t0lA:
17.99
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.
5t86 CDII IMMUNITY
PROTEIN

(Escherichia
coli) 		no annotation 5 ILE I  90
ASP I  54
PHE I  53
ASN I  82
ILE I  86
 None
 0.89A 2blaA-5t86I:
undetectable		 2blaA-5t86I:
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.
5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL

(Homo sapiens) 		PF00384
(Molybdopterin)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 ILE M 222
MET M 213
PHE M 214
ILE M 691
THR M 171
 None
 1.12A 2blaA-5xtbM:
undetectable		 2blaA-5xtbM:
18.37
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.
6avw CARBOXYLESTERASE
SOBER1

(Arabidopsis
thaliana) 		no annotation 5 ILE A 206
PHE A  26
SER A 195
ILE A 194
ILE A 202
 None
 1.14A 2blaA-6avwA:
undetectable		 2blaA-6avwA:
18.91
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT C

(Pyrococcus
furiosus) 		no annotation 5 ALA G   9
SER G  82
ILE G  83
ILE G  45
THR G   8
 None
 1.20A 2blaA-6cfwG:
undetectable		 2blaA-6cfwG:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.58A 2blaA-6cxmA:
18.6		 2blaA-6cxmA:
15.74
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 ILE A 393
ALA A 381
PHE A 453
ILE A 464
ILE A 404
 None
 1.20A 2blaA-6eotA:
undetectable		 2blaA-6eotA:
15.35
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.
6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN

(Escherichia
virus T4;
Homo sapiens) 		no annotation 5 ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
 OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
 1.16A 2blaA-6ffhA:
undetectable		 2blaA-6ffhA:
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.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ILE A  36
ALA A  34
MET A  76
ILE A  89
ILE A  15
 None
 1.27A 2blaA-6upjA:
undetectable		 2blaA-6upjA:
20.18