SIMILAR PATTERNS OF AMINO ACIDS FOR 1DYR_A_TOPA407

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
PHE A  31
ILE A  51
ILE A 100
THR A 121
 None
 0.55A 1dyrA-1cz3A:
16.8		 1dyrA-1cz3A:
28.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
LEU A  22
GLU A  30
PHE A  34
ILE A  60
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
HBI  A 198 (-4.1A)
None
None
HBI  A 198 ( 4.5A)
 0.60A 1dyrA-1dr6A:
24.9		 1dyrA-1dr6A:
39.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
LEU A  22
PHE A  34
ILE A  60
PRO A  61
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
None
None
None
HBI  A 198 ( 4.5A)
 0.70A 1dyrA-1dr6A:
24.9		 1dyrA-1dr6A:
39.23
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.
1h3j PEROXIDASE

(Coprinopsis
cinerea) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 ILE A 117
ALA A  75
ILE A 152
PRO A 153
ILE A  79
 None
None
None
HEM  A1344 (-4.9A)
None
 1.07A 1dyrA-1h3jA:
undetectable		 1dyrA-1h3jA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		5 ILE A 235
PHE A 150
ILE A 175
PRO A 176
ILE A 124
 None
 1.08A 1dyrA-1l1lA:
undetectable		 1dyrA-1l1lA:
15.44
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.
1moz ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		5 ILE A 178
LEU A  64
ILE A  90
ILE A 175
THR A  86
 None
 1.07A 1dyrA-1mozA:
undetectable		 1dyrA-1mozA:
23.79
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.
1oal SUPEROXIDE DISMUTASE

(Photobacterium
leiognathi) 		PF00080
(Sod_Cu) 		5 ILE A 122
ALA A 146
LEU A  37
PHE A  44
ILE A  19
 None
 1.00A 1dyrA-1oalA:
undetectable		 1dyrA-1oalA:
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.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ALA A  71
LEU A  89
ILE A  13
ILE A  33
ILE A  62
 None
 0.87A 1dyrA-1q9pA:
undetectable		 1dyrA-1q9pA:
20.77
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.
1sh2 RNA POLYMERASE

(Norwalk virus) 		PF00680
(RdRP_1) 		5 ILE A  91
LEU A 202
ILE A  98
ILE A 215
ILE A  90
 None
 1.02A 1dyrA-1sh2A:
undetectable		 1dyrA-1sh2A:
18.98
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.
1t1u CHOLINE
O-ACETYLTRANSFERASE

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		5 ALA A 434
LEU A 547
ILE A 585
PHE A 583
ILE A 427
 None
 1.07A 1dyrA-1t1uA:
undetectable		 1dyrA-1t1uA:
16.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
GLU A  30
PHE A  34
ILE A  60
PRO A  61
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
None
MTX  A 187 (-4.4A)
 0.49A 1dyrA-1u70A:
24.9		 1dyrA-1u70A:
36.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
GLU A  30
PHE A  34
ILE A  60
PRO A  61
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-3.9A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
None
MXA  A 187 (-4.3A)
 0.41A 1dyrA-1u71A:
25.1		 1dyrA-1u71A:
36.84
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.
1wa5 IMPORTIN ALPHA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		5 LEU B 343
ILE B 365
ILE B 385
ILE B 376
THR B 334
 None
 1.07A 1dyrA-1wa5B:
undetectable		 1dyrA-1wa5B:
17.57
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.
1wcd MAJOR STRUCTURAL
PROTEIN VP2

(Infectious
bursal disease
virus) 		PF01766
(Birna_VP2) 		5 ILE J 305
ILE J 261
ILE J 208
ILE J 234
THR J 270
 None
 0.96A 1dyrA-1wcdJ:
undetectable		 1dyrA-1wcdJ:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  20
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
 0.49A 1dyrA-1zdrA:
19.5		 1dyrA-1zdrA:
34.80
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
PRO A 122
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.64A 1dyrA-2blbA:
21.0		 1dyrA-2blbA:
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.
2fjk FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Thermus
caldophilus) 		PF01116
(F_bP_aldolase) 		5 ALA A 171
LEU A 136
ILE A 174
ILE A 234
ILE A 250
 None
 1.02A 1dyrA-2fjkA:
undetectable		 1dyrA-2fjkA:
20.19
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
ILE A  84
PRO A  85
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
 0.68A 1dyrA-2h2qA:
21.3		 1dyrA-2h2qA:
17.84
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
LEU A  25
PHE A  36
ILE A  62
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.1A)
MTX  A 605 ( 4.6A)
None
MTX  A 605 ( 4.2A)
 0.34A 1dyrA-2oipA:
21.6		 1dyrA-2oipA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p5i BH3822 PROTEIN

(Bacillus
halodurans) 		PF03099
(BPL_LplA_LipB) 		5 ALA A 239
LEU A 106
ILE A 129
PHE A 133
THR A 242
 None
 1.02A 1dyrA-2p5iA:
undetectable		 1dyrA-2p5iA:
25.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		5 ALA A   8
GLU A  28
ILE A  51
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.2A)
None
MTX  A 200 ( 4.4A)
 0.43A 1dyrA-2qk8A:
20.1		 1dyrA-2qk8A:
30.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		5 ALA A   8
LEU A  21
GLU A  28
ILE A  51
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.4A)
 0.84A 1dyrA-2qk8A:
20.1		 1dyrA-2qk8A:
30.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
PHE A  35
PRO A  55
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.34A 1dyrA-2w3wA:
20.7		 1dyrA-2w3wA:
32.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  20
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.30A 1dyrA-2w9sA:
19.7		 1dyrA-2w9sA:
34.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wte CSA3

(Sulfolobus
solfataricus) 		no annotation 5 ILE A  82
LEU A  93
PHE A   5
ILE A 100
ILE A  78
 None
 0.98A 1dyrA-2wteA:
undetectable		 1dyrA-2wteA:
23.32
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.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 ILE A 280
ALA A 191
LEU A 139
GLU A 193
ILE A 300
 None
 1.07A 1dyrA-2x3kA:
undetectable		 1dyrA-2x3kA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z7e NIFU-LIKE PROTEIN

(Aquifex
aeolicus) 		PF01592
(NifU_N) 		5 ILE A  53
ILE A 135
PRO A 136
ILE A  82
THR A  74
 None
 0.99A 1dyrA-2z7eA:
undetectable		 1dyrA-2z7eA:
17.79
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.
3d1c FLAVIN-CONTAINING
PUTATIVE
MONOOXYGENASE

(Staphylococcus
aureus) 		PF13738
(Pyr_redox_3) 		5 ILE A 157
ALA A 180
PHE A 163
PRO A 260
ILE A 152
 SO4  A 370 (-4.7A)
None
SO4  A 370 ( 4.3A)
None
None
 1.02A 1dyrA-3d1cA:
undetectable		 1dyrA-3d1cA:
18.51
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
PHE A  30
PRO A  50
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.3A)
 0.66A 1dyrA-3dfrA:
20.1		 1dyrA-3dfrA:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
LEU A  46
PHE A  58
ILE A 112
PRO A 113
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.54A 1dyrA-3dg8A:
21.3		 1dyrA-3dg8A:
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.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		5 ILE A 148
ALA A 104
ILE A  27
ILE A 111
ILE A 100
 None
 1.08A 1dyrA-3f6mA:
undetectable		 1dyrA-3f6mA:
18.36
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.
3fj1 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Ruegeria
pomeroyi) 		PF01380
(SIS) 		5 LEU A 182
ILE A  15
PRO A  16
ILE A 312
TYR A  59
 None
 1.05A 1dyrA-3fj1A:
undetectable		 1dyrA-3fj1A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 241
ALA A 162
ILE A 256
ILE A 227
ILE A 173
 None
 1.05A 1dyrA-3fpcA:
undetectable		 1dyrA-3fpcA:
20.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
LEU X  20
ILE X  50
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-4.6A)
None
N22  X 219 (-4.4A)
 0.36A 1dyrA-3i8aX:
19.6		 1dyrA-3i8aX:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
GLU A  28
PHE A  32
ILE A  51
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.1A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.35A 1dyrA-3ia4A:
20.0		 1dyrA-3ia4A:
30.62
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.
3ij6 UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Lactobacillus
acidophilus) 		PF04909
(Amidohydro_2) 		5 ILE A 115
ALA A 151
LEU A 192
ILE A 201
ILE A 138
 None
 0.95A 1dyrA-3ij6A:
undetectable		 1dyrA-3ij6A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 ALA A  70
LEU A  54
ILE A  58
ILE A  64
THR A  73
 None
 1.00A 1dyrA-3imlA:
undetectable		 1dyrA-3imlA:
19.79
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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ILE A   8
ALA A  10
LEU A  23
GLU A  30
PHE A  34
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-2.7A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.5A)
 0.31A 1dyrA-3ix9A:
20.2		 1dyrA-3ix9A:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lac PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Bacillus
anthracis) 		PF01470
(Peptidase_C15) 		5 ILE A 168
ILE A  66
ILE A 121
PRO A 117
ILE A  77
 None
 1.07A 1dyrA-3lacA:
undetectable		 1dyrA-3lacA:
25.63
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 ALA A 214
LEU A   5
ILE A 156
PRO A  84
THR A 213
 None
 1.01A 1dyrA-3n05A:
undetectable		 1dyrA-3n05A:
16.15
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.
3ntd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Shewanella
loihica) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 260
ILE A  49
PRO A  46
ILE A 146
THR A 256
 None
None
FAD  A 900 ( 4.5A)
None
None
 1.07A 1dyrA-3ntdA:
undetectable		 1dyrA-3ntdA:
16.01
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.
3ogj PRKG1 PROTEIN

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 146
ALA A 194
PHE A 181
ILE A 145
THR A 193
 CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
CMP  A 250 (-2.9A)
 1.02A 1dyrA-3ogjA:
undetectable		 1dyrA-3ogjA:
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.
3on7 OXIDOREDUCTASE,
IRON/ASCORBATE
FAMILY

(Shewanella
oneidensis) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 ILE A 131
ALA A 220
LEU A 178
ILE A 213
PHE A 225
 None
 0.96A 1dyrA-3on7A:
undetectable		 1dyrA-3on7A:
20.77
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.
3p5m ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 ALA A  99
LEU A 108
ILE A 170
ILE A 144
ILE A 159
 None
 1.06A 1dyrA-3p5mA:
undetectable		 1dyrA-3p5mA:
21.21
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.
3pu6 UNCHARACTERIZED
PROTEIN

(Wolinella
succinogenes) 		no annotation 5 ILE A 106
ALA A  60
LEU A  22
ILE A  71
PHE A  73
 None
 1.06A 1dyrA-3pu6A:
undetectable		 1dyrA-3pu6A:
24.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qqy RIBOSOMAL PROTEIN
3/HOMING
ENDONUCLEASE-LIKE
PROTEIN FUSION

(Ophiostoma
novo-ulmi) 		PF00961
(LAGLIDADG_1) 		5 ILE A 216
LEU A 171
ILE A 202
PHE A 237
ILE A 249
 None
 1.00A 1dyrA-3qqyA:
undetectable		 1dyrA-3qqyA:
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
PRO A  91
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
WRA  A 602 (-4.3A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.35A 1dyrA-3rg9A:
22.0		 1dyrA-3rg9A:
29.88
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.
3s6i DNA-3-METHYLADENINE
GLYCOSYLASE 1

(Schizosaccharomyces
pombe) 		PF00730
(HhH-GPD) 		5 ILE A  71
ALA A 100
ILE A 108
PHE A 103
ILE A  90
 None
 1.01A 1dyrA-3s6iA:
undetectable		 1dyrA-3s6iA:
20.77
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.
3sb4 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Bacteroides
thetaiotaomicron) 		PF13306
(LRR_5) 		5 LEU A 233
ILE A 241
ILE A 261
PRO A 262
ILE A 275
 None
 0.91A 1dyrA-3sb4A:
undetectable		 1dyrA-3sb4A:
20.18
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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE A 248
ALA A 302
PHE A 289
ILE A 247
THR A 301
 None
 0.71A 1dyrA-3shrA:
undetectable		 1dyrA-3shrA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
LEU A  21
PHE A  32
ILE A  51
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.36A 1dyrA-3tq9A:
19.9		 1dyrA-3tq9A:
32.21
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
LEU A  46
PHE A  58
ILE A 112
PRO A 113
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.78A 1dyrA-3um6A:
21.3		 1dyrA-3um6A:
16.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
PHE A  32
ILE A  57
PRO A  58
ILE A 111
TYR A 117
THR A 133
 None
 0.51A 1dyrA-3vcoA:
22.4		 1dyrA-3vcoA:
34.23
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.
3zus BOTULINUM NEUROTOXIN
TYPE A,
SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 23

(Clostridium
botulinum;
Homo sapiens) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 ILE A  38
ILE A  98
PHE A  95
ILE A 111
ILE A  42
 None
 1.02A 1dyrA-3zusA:
undetectable		 1dyrA-3zusA:
11.51
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.
4ap3 STEROID
MONOOXYGENASE

(Rhodococcus
rhodochrous) 		PF00743
(FMO-like) 		5 ALA A 224
ILE A 318
ILE A 228
PRO A 229
ILE A 338
 None
 0.97A 1dyrA-4ap3A:
undetectable		 1dyrA-4ap3A:
16.01
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.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 356
ALA A 286
ILE A 413
ILE A 384
THR A 336
 None
 0.87A 1dyrA-4bruA:
undetectable		 1dyrA-4bruA:
19.35
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.
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)
 0.91A 1dyrA-4d7sA:
undetectable		 1dyrA-4d7sA:
22.32
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.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE A 362
LEU A 274
PHE A 360
PRO A 379
ILE A 326
 None
 1.01A 1dyrA-4dy0A:
undetectable		 1dyrA-4dy0A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f2g ORNITHINE
CARBAMOYLTRANSFERASE
1

(Burkholderia
thailandensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A  51
LEU A  10
PHE A 117
ILE A 104
THR A 108
 None
 0.83A 1dyrA-4f2gA:
undetectable		 1dyrA-4f2gA:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		11 ILE X  10
ALA X  12
LEU X  25
GLU X  32
ILE X  33
PHE X  36
ILE X  65
PRO X  66
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.4A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.52A 1dyrA-4g8zX:
34.3		 1dyrA-4g8zX:
95.10
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 ILE A 217
ILE A 290
PHE A 231
ILE A 257
THR A 215
 None
 1.05A 1dyrA-4gaaA:
undetectable		 1dyrA-4gaaA:
16.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
GLU A  32
ILE A  33
PHE A  36
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 ( 4.0A)
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.53A 1dyrA-4h96A:
24.3		 1dyrA-4h96A:
38.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
GLU A  32
PHE A  36
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 (-2.8A)
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.8A)
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.65A 1dyrA-4h96A:
24.3		 1dyrA-4h96A:
38.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
ILE A  33
PHE A  36
PRO A  63
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 ( 4.0A)
14Q  A 202 (-4.0A)
None
14Q  A 202 ( 4.2A)
None
 0.86A 1dyrA-4h96A:
24.3		 1dyrA-4h96A:
38.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PHE A  36
ILE A  62
PRO A  63
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.2A)
None
 0.68A 1dyrA-4h96A:
24.3		 1dyrA-4h96A:
38.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		10 ILE A   9
ALA A  11
LEU A  25
GLU A  32
PHE A  36
ILE A  62
PRO A  63
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-3.8A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.48A 1dyrA-4h98A:
22.3		 1dyrA-4h98A:
35.37
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
PRO A  51
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
TMQ  A 202 (-4.2A)
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.35A 1dyrA-4m2xA:
19.3		 1dyrA-4m2xA:
29.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
LEU A  20
PHE A  31
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.34A 1dyrA-4m7vA:
18.6		 1dyrA-4m7vA:
29.67
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		6 ILE A 401
ALA A 399
GLU A 345
PHE A 344
PRO A 310
ILE A 355
 None
 1.46A 1dyrA-4oc9A:
undetectable		 1dyrA-4oc9A:
19.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
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 (-4.1A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.30A 1dyrA-4p68A:
20.1		 1dyrA-4p68A:
30.73
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.
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)
 0.90A 1dyrA-4qx5A:
undetectable		 1dyrA-4qx5A:
24.22
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.
4wzs ECU04_1440 PROTEIN

(Encephalitozoon
cuniculi) 		PF00352
(TBP) 		5 ILE D 101
ILE D  81
ILE D  64
PRO D  67
ILE D 100
 None
 1.07A 1dyrA-4wzsD:
undetectable		 1dyrA-4wzsD:
20.74
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.
4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS

(Bacillus
subtilis) 		PF00067
(p450) 		5 ILE A 315
ALA A 292
ILE A  62
ILE A 307
ILE A  47
 ILE  A 315 ( 0.7A)
ALA  A 292 ( 0.0A)
ILE  A  62 ( 0.6A)
ILE  A 307 ( 0.6A)
ILE  A  47 ( 0.7A)
 1.08A 1dyrA-4yzrA:
undetectable		 1dyrA-4yzrA:
16.79
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.
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)
 0.99A 1dyrA-4z07A:
undetectable		 1dyrA-4z07A:
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.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		5 ILE A 120
ALA A 118
ILE A 268
PHE A 265
THR A  94
 None
 0.88A 1dyrA-5a62A:
undetectable		 1dyrA-5a62A:
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.
5ax7 PYRUVYL TRANSFERASE
1

(Schizosaccharomyces
pombe) 		PF04230
(PS_pyruv_trans) 		5 ILE A 241
ILE A 185
PHE A 187
ILE A 122
THR A 238
 None
 1.00A 1dyrA-5ax7A:
2.2		 1dyrA-5ax7A:
21.57
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.
5b8f 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF02542
(YgbB) 		5 ILE A 146
ALA A 102
ILE A  25
ILE A 109
ILE A  98
 None
 1.07A 1dyrA-5b8fA:
undetectable		 1dyrA-5b8fA:
16.02
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.
5bsh PYRROLINE-5-CARBOXYL
ATE REDUCTASE

(Medicago
truncatula) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 ILE A 161
ALA A  29
LEU A  13
ILE A 154
PHE A 158
 None
 0.99A 1dyrA-5bshA:
undetectable		 1dyrA-5bshA:
24.11
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.
5c8w CGMP-DEPENDENT
PROTEIN KINASE 2

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 196
ALA A 244
PHE A 231
ILE A 195
THR A 243
 PCG  A 302 ( 4.1A)
PCG  A 302 (-3.8A)
None
None
PCG  A 302 ( 2.8A)
 1.06A 1dyrA-5c8wA:
undetectable		 1dyrA-5c8wA:
21.50
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.
5d7e TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 14

(Saccharomyces
cerevisiae) 		PF03366
(YEATS) 		5 ILE A  36
PHE A  51
ILE A 120
PRO A 121
ILE A   9
 None
 1.06A 1dyrA-5d7eA:
undetectable		 1dyrA-5d7eA:
22.86
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  48
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.39A 1dyrA-5dxvA:
12.4		 1dyrA-5dxvA:
24.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
ILE A  51
TYR A 101
THR A 114
 None
 0.45A 1dyrA-5fdaA:
14.1		 1dyrA-5fdaA:
31.71
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		6 ILE A 362
ALA A 327
ILE A 323
PHE A 325
ILE A 312
ILE A 365
 None
 1.35A 1dyrA-5gkqA:
undetectable		 1dyrA-5gkqA:
15.30
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.
5gzs GGDEF FAMILY PROTEIN

(Vibrio cholerae) 		PF00497
(SBP_bac_3) 		5 ALA A  54
ILE A  77
PHE A  66
ILE A 213
THR A  55
 None
 1.01A 1dyrA-5gzsA:
undetectable		 1dyrA-5gzsA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kgo FLAGELLAR BRAKE
PROTEIN YCGR

(Klebsiella
pneumoniae) 		no annotation 5 ILE D  29
PHE D  66
ILE D  58
PRO D  59
ILE D  52
 None
 1.08A 1dyrA-5kgoD:
undetectable		 1dyrA-5kgoD:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lmg DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1

(Saccharomyces
cerevisiae) 		PF09770
(PAT1) 		5 ILE A 513
LEU A 562
PHE A 523
ILE A 591
ILE A 551
 None
 0.99A 1dyrA-5lmgA:
undetectable		 1dyrA-5lmgA:
18.50
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.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA

(Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ILE B 160
ALA B 137
ILE B  85
ILE B 156
THR B 134
 None
 1.07A 1dyrA-5n1qB:
undetectable		 1dyrA-5n1qB:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
LEU A  23
PHE A  35
PRO A  88
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-3.2A)
73X  A 704 (-4.0A)
None
73X  A 704 (-4.2A)
 0.46A 1dyrA-5t0lA:
23.4		 1dyrA-5t0lA:
18.85
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.
5t2h I-ONUI_E-HTCRA

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		5 ILE A 216
LEU A 171
ILE A 202
PHE A 237
ILE A 249
 None
 1.04A 1dyrA-5t2hA:
undetectable		 1dyrA-5t2hA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t2n I-ONUI_E-AG007820

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		5 ILE A 216
LEU A 171
ILE A 202
PHE A 237
ILE A 249
 None
 1.02A 1dyrA-5t2nA:
undetectable		 1dyrA-5t2nA:
20.98
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.
5t8d I-ONUI_E-VHIVINT_V2

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		5 ILE A 216
LEU A 171
ILE A 202
PHE A 237
ILE A 249
 None
 1.03A 1dyrA-5t8dA:
undetectable		 1dyrA-5t8dA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thg I-ONUI_E-HCCR5

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		5 ILE A 216
LEU A 171
ILE A 202
PHE A 237
ILE A 249
 None
 1.08A 1dyrA-5thgA:
undetectable		 1dyrA-5thgA:
21.31
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.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		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)
PF10385
(RNA_pol_Rpb2_45) 		5 ILE C 748
ALA C 750
GLU C 758
ILE C 764
PRO C 765
 None
 1.02A 1dyrA-5tw1C:
undetectable		 1dyrA-5tw1C:
10.45
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.
5uto EDD DOMAIN PROTEIN,
DEGV FAMILY

(Staphylococcus
aureus) 		no annotation 6 ILE A  25
GLU A 125
ILE A  88
ILE A 133
ILE A  23
THR A  10
 None
 1.44A 1dyrA-5utoA:
undetectable		 1dyrA-5utoA:
17.20
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.
5vc2 SERINE
HYDROXYMETHYLTRANSFE
RASE

(Helicobacter
pylori) 		PF00464
(SHMT) 		5 ILE A 359
ALA A  31
ILE A 344
PRO A 345
ILE A 357
 None
 1.07A 1dyrA-5vc2A:
2.2		 1dyrA-5vc2A:
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.
5vqi IMPORTIN SUBUNIT
ALPHA

(Neurospora
crassa) 		no annotation 5 LEU B 337
ILE B 359
ILE B 379
ILE B 370
THR B 328
 None
 1.07A 1dyrA-5vqiB:
undetectable		 1dyrA-5vqiB:
18.15
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.
5wmb DNA REPAIR PROTEIN
REV1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 631
LEU A 666
ILE A 643
PHE A 642
ILE A 627
 None
 1.03A 1dyrA-5wmbA:
undetectable		 1dyrA-5wmbA:
21.55
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
PHE A  32
PRO A  52
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.30A 1dyrA-6cxmA:
19.0		 1dyrA-6cxmA:
20.90
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.
6ei9 TRNA-DIHYDROURIDINE
SYNTHASE B

(Escherichia
coli) 		no annotation 5 ILE A  13
LEU A 213
ILE A 203
ILE A 186
ILE A 198
 None
 0.98A 1dyrA-6ei9A:
undetectable		 1dyrA-6ei9A:
17.62
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.
6ekt P-47 PROTEIN

(Clostridium
botulinum) 		no annotation 5 ALA A 165
ILE A 139
PHE A 131
ILE A  84
ILE A 173
 None
 1.04A 1dyrA-6ektA:
undetectable		 1dyrA-6ektA:
20.20