SIMILAR PATTERNS OF AMINO ACIDS FOR 3UM5_B_CP6B709_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.
1att ANTITHROMBIN III

(Bos taurus) 		PF00079
(Serpin) 		5 ILE A 391
THR A 387
SER A 386
ILE A 389
THR A 212
 None
 1.34A 3um5B-1attA:
undetectable		 3um5B-1attA:
21.37
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.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		5 ILE A  90
VAL A 132
PHE A  26
THR B  48
ILE B  35
 None
 1.31A 3um5B-1cp9A:
undetectable		 3um5B-1cp9A:
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ASP A  27
PHE A  31
THR A  47
ILE A  51
ILE A 100
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
 0.62A 3um5B-1cz3A:
17.8		 3um5B-1cz3A:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ILE A   7
PHE A  34
THR A  56
SER A  59
ILE A  60
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
NAP  A 191 ( 4.1A)
None
None
HBI  A 198 ( 4.5A)
 0.43A 3um5B-1dr6A:
12.7		 3um5B-1dr6A:
14.61
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.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A 211
VAL A 183
PHE A 155
ILE A 196
ILE A 207
 None
 1.23A 3um5B-1hygA:
undetectable		 3um5B-1hygA:
19.41
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
PHE A  40
THR A  55
SER A  58
ILE A 127
 None
None
NDP  A 194 (-3.3A)
NDP  A 194 ( 3.9A)
None
 0.66A 3um5B-1juvA:
15.7		 3um5B-1juvA:
14.98
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.
1muu GDP-MANNOSE
6-DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 VAL A  11
PHE A  81
THR A 174
ILE A 176
TYR A 168
 NAD  A1001 (-3.8A)
None
None
None
None
 1.22A 3um5B-1muuA:
undetectable		 3um5B-1muuA:
20.91
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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 ILE A 127
ASP A 164
PHE A 167
THR A 179
THR A 125
 None
 1.29A 3um5B-1pe9A:
undetectable		 3um5B-1pe9A:
19.74
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.
1q0u BSTDEAD

(Geobacillus
stearothermophilus) 		PF00270
(DEAD) 		5 ILE A 153
VAL A  73
THR A  92
ILE A  88
ILE A  62
 None
 1.21A 3um5B-1q0uA:
undetectable		 3um5B-1q0uA:
16.14
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
PHE A  34
THR A  56
ILE A  60
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
None
MTX  A 187 (-4.4A)
 0.48A 3um5B-1u70A:
22.3		 3um5B-1u70A:
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
PHE A  34
THR A  56
SER A  59
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
NDP  A 188 ( 3.8A)
None
MTX  A 187 (-4.4A)
 0.59A 3um5B-1u70A:
22.3		 3um5B-1u70A:
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ILE A   7
PHE A  34
THR A  56
SER A  59
ILE A  60
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
 0.49A 3um5B-1u71A:
22.5		 3um5B-1u71A:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E

(Clostridium
aminobutyricum) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 ILE A 308
VAL A 306
SER A 456
ILE A 373
ILE A 380
 None
 1.20A 3um5B-1u8vA:
undetectable		 3um5B-1u8vA:
22.20
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.
1wjo T-PLASTIN

(Homo sapiens) 		PF00307
(CH) 		5 PHE A 107
THR A  36
SER A  39
ILE A  29
THR A  19
 None
 1.36A 3um5B-1wjoA:
undetectable		 3um5B-1wjoA:
13.36
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.
1xdq BACTERIAL SULFITE
OXIDASE

(Escherichia
coli) 		PF00174
(Oxidored_molyb) 		5 ILE A 206
SER A  73
ILE A  72
ILE A 209
THR A 221
 None
 1.23A 3um5B-1xdqA:
undetectable		 3um5B-1xdqA:
18.44
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.
1ydo HMG-COA LYASE

(Bacillus
subtilis) 		PF00682
(HMGL-like) 		5 ILE A  31
ASP A  61
ILE A  95
ILE A  69
THR A  27
 None
 1.33A 3um5B-1ydoA:
undetectable		 3um5B-1ydoA:
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.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		5 ILE A 288
VAL A  10
PHE A   7
ILE A  44
THR A 286
 None
 1.14A 3um5B-1ym5A:
undetectable		 3um5B-1ym5A:
17.24
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ASP A  27
PHE A  31
THR A  46
ILE A  50
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
None
 0.41A 3um5B-1zdrA:
13.8		 3um5B-1zdrA:
12.99
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) 		8 ILE A  13
ASP A  53
PHE A  57
SER A 120
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.34A 3um5B-2blbA:
30.3		 3um5B-2blbA:
30.31
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.
2czd OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Pyrococcus
horikoshii) 		PF00215
(OMPdecase) 		5 ILE A  54
VAL A  52
ILE A 183
ILE A  55
THR A  50
 None
None
DTT  A 501 ( 4.6A)
None
None
 1.11A 3um5B-2czdA:
undetectable		 3um5B-2czdA:
16.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ASP A  48
PHE A  52
THR A  80
SER A  83
ILE A  84
ILE A 154
TYR A 160
THR A 178
 None
None
NAP  A 523 (-3.5A)
NAP  A 523 ( 4.4A)
None
None
None
None
 0.39A 3um5B-2h2qA:
38.2		 3um5B-2h2qA:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 VAL A  27
PHE A  52
THR A  80
SER A  83
ILE A  84
 NAP  A 523 ( 4.0A)
None
NAP  A 523 (-3.5A)
NAP  A 523 ( 4.4A)
None
 1.37A 3um5B-2h2qA:
38.2		 3um5B-2h2qA:
37.99
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.
2hfs MEVALONATE KINASE,
PUTATIVE

(Leishmania
major) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ILE A 109
VAL A 104
THR A 192
ILE A 266
ILE A 288
 None
 1.26A 3um5B-2hfsA:
undetectable		 3um5B-2hfsA:
19.38
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.
2nmp CYSTATHIONINE
GAMMA-LYASE

(Homo sapiens) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 132
VAL A 124
PHE A 121
ILE A  97
ILE A 107
 None
 1.26A 3um5B-2nmpA:
undetectable		 3um5B-2nmpA:
19.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ASP A  32
PHE A  36
THR A  58
SER A  61
ILE A  62
TYR A 119
THR A 134
 MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
None
MTX  A 605 ( 4.2A)
 0.53A 3um5B-2oipA:
40.7		 3um5B-2oipA:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 VAL A  10
PHE A  36
THR A  58
SER A  61
ILE A  62
 NDP  A 606 ( 3.9A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
 1.32A 3um5B-2oipA:
40.7		 3um5B-2oipA:
40.39
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.
2olt HYPOTHETICAL PROTEIN

(Shewanella
oneidensis) 		PF01865
(PhoU_div) 		5 ILE A  40
VAL A  33
THR A 201
ILE A 202
ILE A 113
 None
 1.07A 3um5B-2oltA:
undetectable		 3um5B-2oltA:
15.50
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.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		5 ILE A  38
ASP A  61
THR A  81
TYR A 199
THR A 214
 EDO  A 278 (-4.7A)
EDO  A 278 (-3.2A)
EDO  A 284 ( 3.5A)
EDO  A 280 (-4.3A)
None
 0.63A 3um5B-2p4gA:
14.2		 3um5B-2p4gA:
18.49
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.
2vow SURFACE-ASSOCIATED
PROTEIN

(Methylococcus
capsulatus) 		no annotation 5 ASP A 274
PHE A 280
THR A 332
SER A 334
THR A 276
 CA  A1338 (-2.7A)
None
None
None
None
 1.37A 3um5B-2vowA:
undetectable		 3um5B-2vowA:
17.59
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 ASP A  31
PHE A  35
THR A  50
SER A  53
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.37A 3um5B-2w3wA:
20.3		 3um5B-2w3wA:
13.99
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ILE A   5
ASP A  27
THR A  46
SER A  49
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.55A 3um5B-2w9sA:
20.5		 3um5B-2w9sA:
12.48
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ILE A   5
THR A  46
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.79A 3um5B-2w9sA:
20.5		 3um5B-2w9sA:
12.48
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.
2xtq COLICIN-M

(Escherichia
coli) 		PF14859
(Colicin_M) 		5 ILE A 160
PHE A 181
ILE A 148
ILE A 155
TYR A 217
 None
 1.37A 3um5B-2xtqA:
undetectable		 3um5B-2xtqA:
17.77
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.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 VAL A 180
PHE A 147
THR A  53
TYR A  16
THR A 188
 None
 0.86A 3um5B-2zwrA:
undetectable		 3um5B-2zwrA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3um5B-3bilA:
2.6		 3um5B-3bilA:
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ASP A  26
PHE A  30
THR A  45
SER A  48
THR A 116
 MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.56A 3um5B-3dfrA:
20.5		 3um5B-3dfrA:
13.93
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) 		7 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 112
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.23A 3um5B-3dg8A:
33.4		 3um5B-3dg8A:
98.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbv PUTATIVE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Bacteroides
fragilis) 		PF13407
(Peripla_BP_4) 		5 ILE A 262
VAL A 268
PHE A 264
ILE A 206
ILE A 197
 None
 1.37A 3um5B-3gbvA:
2.6		 3um5B-3gbvA:
19.05
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ASP X  27
THR X  46
SER X  49
ILE X  50
TYR X  98
THR X 111
 N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
N22  X 219 (-4.4A)
 0.69A 3um5B-3i8aX:
20.3		 3um5B-3i8aX:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 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
PHE A  32
THR A  47
SER A  50
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
NDP  A 163 ( 3.8A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.55A 3um5B-3ia4A:
13.0		 3um5B-3ia4A:
13.31
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ILE A   6
THR A  47
SER A  50
ILE A  51
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
NDP  A 163 (-3.4A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.78A 3um5B-3ia4A:
13.0		 3um5B-3ia4A:
13.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  37
THR A  69
SER A  72
ILE A  73
TYR A 129
THR A 144
 None
NAP  A 512 (-3.6A)
NAP  A 512 ( 4.2A)
None
None
None
 0.36A 3um5B-3kjrA:
41.4		 3um5B-3kjrA:
44.73
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ILE A 682
ASP A 348
THR A 647
ILE A 644
THR A 350
 None
 1.24A 3um5B-3la4A:
undetectable		 3um5B-3la4A:
21.02
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.
3lup DEGV FAMILY PROTEIN

(Streptococcus
agalactiae) 		PF02645
(DegV) 		5 ILE A  28
VAL A  25
THR A 117
ILE A 119
ILE A  89
 ELA  A 301 ( 4.5A)
None
None
None
None
 1.19A 3um5B-3lupA:
undetectable		 3um5B-3lupA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1r FORMIMIDOYLGLUTAMASE

(Bacillus
subtilis) 		PF00491
(Arginase) 		5 ILE A 239
VAL A 305
PHE A 149
ILE A 220
ILE A 274
 None
 1.33A 3um5B-3m1rA:
undetectable		 3um5B-3m1rA:
18.30
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.
3p02 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		5 ASP A 227
SER A 201
ILE A 204
TYR A 310
THR A 301
 None
 1.23A 3um5B-3p02A:
undetectable		 3um5B-3p02A:
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.
3puf RIBONUCLEASE H2
SUBUNIT B

(Homo sapiens) 		PF09468
(RNase_H2-Ydr279) 		5 ILE B 220
PHE B  95
THR B 174
ILE B 216
THR B 163
 None
 1.34A 3um5B-3pufB:
undetectable		 3um5B-3pufB:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ASP A  54
PHE A  58
THR A  86
SER A  89
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
WRA  A 602 ( 4.2A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.37A 3um5B-3rg9A:
20.8		 3um5B-3rg9A:
19.31
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.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ILE A 257
PHE A 205
THR A 225
SER A 179
ILE A 194
 None
None
None
LNV  A 801 ( 4.7A)
None
 1.06A 3um5B-3tiaA:
undetectable		 3um5B-3tiaA:
20.41
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		8 ILE A   6
ASP A  28
PHE A  32
THR A  47
SER A  50
ILE A  51
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.71A 3um5B-3tq9A:
20.1		 3um5B-3tq9A:
15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqt D-ALANINE--D-ALANINE
LIGASE

(Coxiella
burnetii) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ILE A 248
ASP A 303
THR A 324
SER A  24
ILE A  20
 None
 1.21A 3um5B-3tqtA:
2.3		 3um5B-3tqtA:
20.13
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) 		10 ILE A  14
VAL A  16
ASP A  54
PHE A  58
THR A 108
SER A 111
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 ( 4.0A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.28A 3um5B-3um6A:
51.3		 3um5B-3um6A:
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ASP A  28
PHE A  32
THR A  53
ILE A 111
TYR A 117
THR A 133
 None
None
SO4  A 201 (-3.7A)
None
None
None
 0.53A 3um5B-3vcoA:
19.5		 3um5B-3vcoA:
17.59
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 PHE A  32
THR A  53
SER A  56
ILE A  57
ILE A 111
TYR A 117
THR A 133
 None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.75A 3um5B-3vcoA:
19.5		 3um5B-3vcoA:
17.59
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.
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
 1.16A 3um5B-3x0uA:
undetectable		 3um5B-3x0uA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.20A 3um5B-4am6A:
undetectable		 3um5B-4am6A:
22.48
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.
4amq L544

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 5 ILE A  80
PHE A 180
THR A 277
SER A 280
ILE A 281
 None
 1.34A 3um5B-4amqA:
undetectable		 3um5B-4amqA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amq L544

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 5 ILE A  80
THR A 277
SER A 280
ILE A 281
ILE A 267
 None
 1.17A 3um5B-4amqA:
undetectable		 3um5B-4amqA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ILE X  10
PHE X  36
THR X  61
SER X  64
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.53A 3um5B-4g8zX:
21.6		 3um5B-4g8zX:
15.99
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.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ILE A 257
PHE A 205
THR A 225
SER A 179
ILE A 194
 None
None
None
SLB  A 512 ( 4.4A)
None
 1.07A 3um5B-4h53A:
undetectable		 3um5B-4h53A:
19.09
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
PHE A  36
THR A  58
SER A  61
ILE A  62
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.56A 3um5B-4h96A:
20.1		 3um5B-4h96A:
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
PHE A  36
THR A  58
SER A  61
ILE A  62
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.42A 3um5B-4h98A:
20.6		 3um5B-4h98A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A  46
VAL A  38
PHE A  24
ILE A 106
ILE A  22
 None
 1.31A 3um5B-4hv4A:
2.9		 3um5B-4hv4A:
20.35
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.
4jp0 43.8 KDA
INSECTICIDAL CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF05431
(Toxin_10) 		5 ILE A 184
VAL A 186
PHE A  50
ILE A 143
ILE A 197
 None
 1.32A 3um5B-4jp0A:
undetectable		 3um5B-4jp0A:
21.41
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		8 ILE A   5
ASP A  27
PHE A  31
THR A  46
SER A  49
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
NDP  A 201 (-3.6A)
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.46A 3um5B-4m2xA:
10.6		 3um5B-4m2xA:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 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
ASP A  27
PHE A  31
THR A  46
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.4A)
 0.29A 3um5B-4m7vA:
19.8		 3um5B-4m7vA:
13.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwa 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Bacillus
anthracis) 		PF04551
(GcpE) 		5 ILE D 174
VAL D  13
PHE D 171
ILE D  96
ILE D 130
 None
 1.37A 3um5B-4mwaD:
undetectable		 3um5B-4mwaD:
18.09
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		9 ILE A   5
ASP A  27
PHE A  31
THR A  46
SER A  49
ILE A  50
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.41A 3um5B-4p68A:
20.8		 3um5B-4p68A:
13.23
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.
4pel PENICILLIN G ACYLASE
SUBUNIT ALPHA
PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 ILE A  92
VAL A 134
PHE A  28
THR B  48
ILE B  35
 None
 1.32A 3um5B-4pelA:
undetectable		 3um5B-4pelA:
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.
4pl9 ETHYLENE RECEPTOR 1

(Arabidopsis
thaliana) 		PF02518
(HATPase_c) 		5 ILE A 518
ASP A 513
SER A 551
ILE A 562
ILE A 526
 ADP  A 613 ( 4.8A)
CD  A 603 ( 2.1A)
None
None
ADP  A 613 (-4.1A)
 1.20A 3um5B-4pl9A:
undetectable		 3um5B-4pl9A:
11.75
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.
4rev DISEASE RESISTANCE
RESPONSE PROTEIN 206

(Pisum sativum) 		PF03018
(Dirigent) 		5 ILE A 143
VAL A 145
PHE A 115
ILE A  83
THR A 146
 None
GOL  A 201 (-3.9A)
None
None
None
 1.37A 3um5B-4revA:
undetectable		 3um5B-4revA:
12.10
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.
5adv ENTEROCHELIN UPTAKE
PERIPLASMIC BINDING
PROTEIN

(Campylobacter
jejuni) 		PF01497
(Peripla_BP_2) 		5 ILE A  55
VAL A  74
PHE A  64
ILE A  46
ILE A 114
 None
 1.35A 3um5B-5advA:
undetectable		 3um5B-5advA:
19.14
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		5 ILE A 294
VAL A 285
ASP A 446
SER A 647
ILE A 442
 None
 1.38A 3um5B-5amqA:
undetectable		 3um5B-5amqA:
14.15
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.
5buv PUTATIVE EPIMERASE

(Yersinia
enterocolitica) 		PF00908
(dTDP_sugar_isom) 		5 ILE A 131
THR A  31
SER A  18
ILE A  16
THR A 129
 None
 1.11A 3um5B-5buvA:
undetectable		 3um5B-5buvA:
14.41
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
PHE A  48
THR A  63
SER A  66
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.72A 3um5B-5dxvA:
11.8		 3um5B-5dxvA:
11.75
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
THR A  47
SER A  50
ILE A  51
TYR A 101
THR A 114
 None
 0.59A 3um5B-5fdaA:
7.2		 3um5B-5fdaA:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fur TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 2

(Homo sapiens) 		PF02268
(TFIIA_gamma_N)
PF02751
(TFIIA_gamma_C)
PF03153
(TFIIA) 		5 ILE C 366
THR D  10
SER D  14
ILE C 357
THR B   9
 None
 1.28A 3um5B-5furC:
undetectable		 3um5B-5furC:
6.16
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.
5gne LEUCINE
AMINOPEPTIDASE

(Legionella
pneumophila) 		PF04389
(Peptidase_M28) 		5 ILE A 265
ASP A 215
PHE A 190
THR A  67
TYR A  80
 None
 1.32A 3um5B-5gneA:
undetectable		 3um5B-5gneA:
19.55
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.
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
 1.29A 3um5B-5gykA:
undetectable		 3um5B-5gykA:
16.86
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.
5jh8 PROBABLE CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18) 		5 ILE A  78
VAL A  68
PHE A 110
ILE A 106
ILE A  33
 None
 1.25A 3um5B-5jh8A:
undetectable		 3um5B-5jh8A:
17.77
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.
5kew VTRC PROTEIN

(Vibrio
parahaemolyticus) 		no annotation 5 ILE B  54
SER B 123
ILE B 124
ILE B  67
TYR B  39
 None
6SB  B 301 (-2.3A)
6SB  B 301 (-4.2A)
6SB  B 301 ( 4.0A)
None
 1.33A 3um5B-5kewB:
undetectable		 3um5B-5kewB:
12.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kh0 SMALL GTP-BINDING
PROTEIN

(Thermosipho
melanesiensis) 		PF01926
(MMR_HSR1) 		5 ILE A 164
VAL A 141
PHE A 118
THR A  14
ILE A  94
 None
 1.32A 3um5B-5kh0A:
undetectable		 3um5B-5kh0A:
20.26
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 THR A 582
ILE A 567
ILE A 674
TYR A 685
THR A 532
 None
 1.14A 3um5B-5l46A:
undetectable		 3um5B-5l46A:
20.41
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 PHE A 251
SER A 277
ILE A 276
ILE A 237
TYR A 241
 None
 1.31A 3um5B-5od2A:
undetectable		 3um5B-5od2A:
9.91
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.
5oet GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 30
(GPA-GSS30-APO)

(Globodera
pallida) 		no annotation 5 ASP B 223
SER B 271
ILE B 272
ILE B 265
THR B 197
 None
 1.22A 3um5B-5oetB:
undetectable		 3um5B-5oetB:
9.57
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 VAL T2454
PHE T2579
SER T2609
ILE T2613
ILE T2583
 None
 1.36A 3um5B-5ojsT:
undetectable		 3um5B-5ojsT:
10.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  31
PHE A  35
THR A  83
SER A  86
TYR A 157
THR A 172
 73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
NDP  A 702 (-3.8A)
None
73X  A 704 (-4.2A)
 0.40A 3um5B-5t0lA:
41.9		 3um5B-5t0lA:
41.63
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.
5t1q N-ACETYLMURAMOYL-L-A
LANINE AMIDASE
DOMAIN-CONTAINING
PROTEIN
SAOUHSC_02979

(Staphylococcus
aureus) 		PF01832
(Glucosaminidase)
PF05257
(CHAP) 		5 VAL A 315
PHE A 297
SER A 353
ILE A 462
TYR A 466
 None
 1.30A 3um5B-5t1qA:
undetectable		 3um5B-5t1qA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		5 ILE A 357
VAL A 350
ILE A 414
ILE A 340
TYR A 307
 None
 1.21A 3um5B-5te1A:
2.1		 3um5B-5te1A:
20.14
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 ILE A 113
THR A 275
SER A 276
ILE A 277
ILE A 111
 FAD  A 401 (-3.6A)
None
None
None
None
 1.08A 3um5B-5twbA:
undetectable		 3um5B-5twbA:
19.84
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.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		5 ILE A  36
VAL A  52
PHE A  33
ILE A 255
ILE A  35
 None
 1.29A 3um5B-5w57A:
undetectable		 3um5B-5w57A:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wh8 PUTATIVE
CARBOHYDRATE-ACTIVE
ENZYME

(uncultured
organism) 		no annotation 5 ILE A 114
PHE A 175
ILE A 218
ILE A 153
THR A 116
 None
 1.28A 3um5B-5wh8A:
undetectable		 3um5B-5wh8A:
9.18
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.
5x4t PHOTOACTIVATED
ADENYLYL CYCLASE

(Cyanobacteria) 		PF00211
(Guanylate_cyc)
PF04940
(BLUF) 		5 ILE A 215
PHE A 291
THR A 330
SER A 334
ILE A 325
 None
 1.16A 3um5B-5x4tA:
undetectable		 3um5B-5x4tA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yww NUCLEOTIDE BINDING
PROTEIN PINC

(Sulfolobus
islandicus) 		no annotation 5 ILE A 378
VAL A 346
PHE A 264
THR A 374
ILE A 376
 None
 1.31A 3um5B-5ywwA:
undetectable		 3um5B-5ywwA:
9.25
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.
6avw CARBOXYLESTERASE
SOBER1

(Arabidopsis
thaliana) 		no annotation 5 ILE A 206
PHE A  26
SER A 195
ILE A 194
ILE A 202
 None
 1.21A 3um5B-6avwA:
undetectable		 3um5B-6avwA:
8.59
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 5 ILE A 257
PHE A 205
THR A 225
SER A 179
ILE A 194
 None
None
None
E3M  A 511 ( 4.0A)
None
 1.07A 3um5B-6br6A:
undetectable		 3um5B-6br6A:
8.25
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ASP A  28
PHE A  32
THR A  47
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.39A 3um5B-6cxmA:
12.0		 3um5B-6cxmA:
13.43
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.
6e4e -

(-) 		no annotation 5 ASP A  27
THR A  46
SER A  49
ILE A  50
THR A 111
 MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.91A 3um5B-6e4eA:
20.4		 3um5B-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.
6ezm IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Saccharomyces
cerevisiae) 		no annotation 5 ILE U  19
VAL U  55
SER U  73
ILE U 200
ILE U  21
 None
 1.17A 3um5B-6ezmU:
undetectable		 3um5B-6ezmU:
7.67
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 ILE L 468
THR L 475
SER L 476
ILE L 472
THR L 331
 None
 1.36A 3um5B-6g2jL:
undetectable		 3um5B-6g2jL:
8.72