SIMILAR PATTERNS OF AMINO ACIDS FOR 5EAJ_B_FOLB201_0

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) 		7 ALA A   8
PHE A  31
THR A  47
ILE A  51
LEU A  55
PRO A  56
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
None
 0.50A 5eajB-1cz3A:
20.1		 5eajB-1cz3A:
29.05
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
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
HBI  A 198 ( 4.5A)
 0.68A 5eajB-1dr6A:
20.3		 5eajB-1dr6A:
33.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h74 HOMOSERINE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ALA A  16
PHE A  22
THR A 183
LEU A 190
PRO A 191
 ILE  A 500 ( 4.0A)
ILE  A 500 (-4.8A)
ADP  A 400 ( 3.1A)
None
None
 0.94A 5eajB-1h74A:
undetectable		 5eajB-1h74A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.08A 5eajB-1hdiA:
undetectable		 5eajB-1hdiA:
14.81
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 LEU A  37
PHE A  40
LYS A  41
THR A  55
LEU A  63
PRO A  64
 None
None
None
NDP  A 194 (-3.3A)
None
None
 1.30A 5eajB-1juvA:
17.3		 5eajB-1juvA:
27.22
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
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.54A 5eajB-1u70A:
19.9		 5eajB-1u70A:
33.51
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
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.48A 5eajB-1u71A:
20.1		 5eajB-1u71A:
32.45
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.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		5 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 1.06A 5eajB-1vpeA:
undetectable		 5eajB-1vpeA:
17.47
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) 		10 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
PRO A  55
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
 0.66A 5eajB-1zdrA:
24.4		 5eajB-1zdrA:
40.49
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.
1ztv HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF01904
(DUF72) 		5 ILE A  86
ALA A  88
ILE A  97
LEU A 133
PRO A 134
 None
 1.09A 5eajB-1ztvA:
undetectable		 5eajB-1ztvA:
18.84
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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE I 325
ALA I 427
LEU I 409
LEU I  78
PRO I  80
 None
 1.02A 5eajB-2b4xI:
undetectable		 5eajB-2b4xI:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
ILE A 121
LEU A 128
PRO A 129
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
None
CP7  A1240 (-4.1A)
 0.80A 5eajB-2blbA:
19.7		 5eajB-2blbA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
PHE A  57
LEU A 128
PRO A 129
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
None
CP7  A1240 (-4.1A)
 0.45A 5eajB-2blbA:
19.7		 5eajB-2blbA:
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.
2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		5 ILE A 213
LEU A 245
THR A 132
ILE A 128
PRO A 122
 None
 0.93A 5eajB-2gcdA:
undetectable		 5eajB-2gcdA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
PHE A  52
THR A  80
ILE A  84
LEU A  91
PRO A  92
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.61A 5eajB-2h2qA:
18.9		 5eajB-2h2qA:
18.84
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.
2hoe N-ACETYLGLUCOSAMINE
KINASE

(Thermotoga
maritima) 		PF00480
(ROK) 		5 ILE A 323
LEU A 297
THR A 208
ILE A 212
LEU A 247
 None
 1.05A 5eajB-2hoeA:
undetectable		 5eajB-2hoeA:
16.71
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.
2obm ESCN

(Escherichia
coli) 		PF00006
(ATP-synt_ab) 		5 LEU A 156
THR A 319
ILE A 175
LEU A 186
PRO A 356
 None
None
None
None
ADP  A 600 ( 4.2A)
 1.09A 5eajB-2obmA:
undetectable		 5eajB-2obmA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  11
LEU A  33
PHE A  36
THR A  58
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.56A 5eajB-2oipA:
20.4		 5eajB-2oipA:
16.67
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) 		8 ALA A   8
LEU A  29
LYS A  33
ILE A  51
LEU A  55
PRO A  56
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.8A)
None
MTX  A 200 ( 4.4A)
 0.66A 5eajB-2qk8A:
24.6		 5eajB-2qk8A:
40.99
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.
2r41 UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF06124
(DUF960) 		5 ILE A  87
ALA A  89
ILE A  73
LEU A  75
PRO A  76
 None
 1.05A 5eajB-2r41A:
undetectable		 5eajB-2r41A:
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.
2r44 UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF07726
(AAA_3) 		5 ILE A 296
ALA A 265
LYS A 290
THR A 241
ILE A 321
 None
None
PG4  A 338 ( 2.5A)
None
None
 1.10A 5eajB-2r44A:
undetectable		 5eajB-2r44A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		5 ILE A 273
ALA A 271
LEU A 307
ILE A 260
LEU A 248
 None
 1.01A 5eajB-2uy3A:
undetectable		 5eajB-2uy3A:
20.63
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) 		8 ALA A  11
LEU A  32
PHE A  35
THR A  50
LEU A  61
PRO A  62
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
None
None
VG9  A1168 ( 4.7A)
 0.49A 5eajB-2w3wA:
23.8		 5eajB-2w3wA:
34.50
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) 		5 PHE A  35
LYS A  36
THR A  50
LEU A  61
TYR A 108
 VG9  A1168 (-3.9A)
VG9  A1168 ( 4.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
None
 1.11A 5eajB-2w3wA:
23.8		 5eajB-2w3wA:
34.50
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  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.72A 5eajB-2w9sA:
24.5		 5eajB-2w9sA:
38.51
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) 		9 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
PRO A  55
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.48A 5eajB-2w9sA:
24.5		 5eajB-2w9sA:
38.51
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.
3a1t IRON(II) TRANSPORT
PROTEIN B

(Thermotoga
maritima) 		PF02421
(FeoB_N) 		5 ILE A  65
LEU A  21
ILE A 125
LEU A  97
THR A  37
 None
 1.05A 5eajB-3a1tA:
undetectable		 5eajB-3a1tA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens) 		PF01522
(Polysacc_deac_1) 		5 ILE A  95
ALA A  92
PHE A  90
ILE A 263
LEU A 258
 None
 1.09A 5eajB-3cl6A:
undetectable		 5eajB-3cl6A:
22.15
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
LEU A  27
PHE A  30
THR A  45
LEU A  54
PRO A  55
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 ( 4.3A)
 0.75A 5eajB-3dfrA:
23.2		 5eajB-3dfrA:
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
PHE A  58
ILE A 112
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.67A 5eajB-3dg8A:
19.8		 5eajB-3dg8A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		5 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
 None
None
FAD  A 500 (-3.8A)
None
None
 0.91A 5eajB-3dmeA:
undetectable		 5eajB-3dmeA:
18.31
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.
3e7n D-RIBOSE
HIGH-AFFINITY
TRANSPORT SYSTEM

(Salmonella
enterica) 		PF05025
(RbsD_FucU) 		5 ILE A 132
PHE A 109
LYS A 110
LEU A  31
PRO A  32
 None
None
None
EDO  A 300 (-4.3A)
None
 1.02A 5eajB-3e7nA:
2.2		 5eajB-3e7nA:
22.41
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.
3etn PUTATIVE
PHOSPHOSUGAR
ISOMERASE INVOLVED
IN CAPSULE FORMATION

(Bacteroides
fragilis) 		PF01380
(SIS) 		5 ILE A  54
LEU A 167
THR A 140
ILE A  19
THR A  45
 None
 1.11A 5eajB-3etnA:
2.0		 5eajB-3etnA:
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.
3fn1 NEDD8-CONJUGATING
ENZYME UBE2F

(Homo sapiens) 		PF00179
(UQ_con) 		5 PHE B 147
THR B 102
ILE B 104
PRO B 107
THR B  51
 None
 1.05A 5eajB-3fn1B:
undetectable		 5eajB-3fn1B:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h39 TRNA NUCLEOTIDYL
TRANSFERASE-RELATED
PROTEIN

(Thermotoga
maritima) 		PF01743
(PolyA_pol)
PF12627
(PolyA_pol_RNAbd) 		5 ALA A 320
LEU A 355
THR A 347
ILE A 348
LEU A 367
 None
 1.08A 5eajB-3h39A:
undetectable		 5eajB-3h39A:
15.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA X   7
LEU X  28
THR X  46
ILE X  50
LEU X  54
PRO X  55
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.75A 5eajB-3i8aX:
24.8		 5eajB-3i8aX:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA X   7
LYS X  32
THR X  46
ILE X  50
LEU X  54
PRO X  55
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
None
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.72A 5eajB-3i8aX:
24.8		 5eajB-3i8aX:
37.50
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus) 		PF00346
(Complex1_49kDa) 		5 LEU 4 190
THR 4 115
ILE 4 116
LEU 4 182
PRO 4 183
 None
 1.05A 5eajB-3i9v4:
undetectable		 5eajB-3i9v4:
16.59
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) 		6 ALA A   7
PHE A  32
LYS A  33
THR A  47
ILE A  51
LEU A  55
 NDP  A 163 ( 3.9A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
 1.21A 5eajB-3ia4A:
27.3		 5eajB-3ia4A:
55.83
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) 		6 ALA A   7
PHE A  32
THR A  47
ILE A  51
LEU A  55
PRO A  56
 NDP  A 163 ( 3.9A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
 1.44A 5eajB-3ia4A:
27.3		 5eajB-3ia4A:
55.83
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) 		10 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-4.3A)
 0.53A 5eajB-3ia4A:
27.3		 5eajB-3ia4A:
55.83
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
LEU A  29
PHE A  32
THR A  47
ILE A  51
LEU A  55
PRO A  56
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
None
 0.69A 5eajB-3ia4A:
27.3		 5eajB-3ia4A:
55.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iv7 ALCOHOL
DEHYDROGENASE IV

(Corynebacterium
glutamicum) 		PF00465
(Fe-ADH) 		5 ILE A 106
ALA A  81
ILE A  73
LEU A 132
THR A  84
 None
 1.11A 5eajB-3iv7A:
2.3		 5eajB-3iv7A:
18.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		8 ILE A   8
ALA A  10
LEU A  31
PHE A  34
LYS A  35
LEU A  58
PRO A  59
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.5A)
 0.65A 5eajB-3ix9A:
23.8		 5eajB-3ix9A:
35.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		8 ILE A   8
ALA A  10
LEU A  31
PHE A  34
LYS A  35
THR A  49
LEU A  58
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.72A 5eajB-3ix9A:
23.8		 5eajB-3ix9A:
35.26
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.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 ALA A  57
PHE A  26
ILE A  49
LEU A  32
THR A  61
 None
 1.06A 5eajB-3kaoA:
undetectable		 5eajB-3kaoA:
19.27
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
THR A  69
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.74A 5eajB-3kjrA:
20.3		 5eajB-3kjrA:
16.49
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.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		5 PHE A 924
THR A 911
ILE A 912
LEU A 900
PRO A 901
 None
 1.06A 5eajB-3m62A:
undetectable		 5eajB-3m62A:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyi FAT ACID-BINDING
PROTEIN

(Eubacterium
ventriosum) 		PF02645
(DegV) 		5 ILE A 287
ALA A 129
ILE A 119
LEU A 152
THR A 265
 None
 1.00A 5eajB-3nyiA:
undetectable		 5eajB-3nyiA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
THR A  86
LEU A  97
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
WRA  A 602 (-4.2A)
 0.33A 5eajB-3rg9A:
19.0		 5eajB-3rg9A:
27.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		5 ILE A  67
LEU A  37
THR A  99
ILE A 103
THR A  42
 None
 1.10A 5eajB-3rmtA:
undetectable		 5eajB-3rmtA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF09711
(Cas_Csn2) 		5 ILE A 135
ALA A 132
PHE A 130
ILE A  97
LEU A  87
 None
 1.01A 5eajB-3s5uA:
undetectable		 5eajB-3s5uA:
22.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   7
PHE A  32
THR A  47
ILE A  51
LEU A  55
PRO A  56
 NDP  A1001 ( 4.1A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
 1.20A 5eajB-3tq9A:
24.5		 5eajB-3tq9A:
43.98
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) 		10 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
LEU A  55
PRO A  56
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
MTX  A2001 (-4.3A)
 0.54A 5eajB-3tq9A:
24.5		 5eajB-3tq9A:
43.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ILE A  94
LYS A  33
THR A  47
ILE A  51
LEU A  55
PRO A  56
 None
None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
 1.22A 5eajB-3tq9A:
24.5		 5eajB-3tq9A:
43.98
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
PHE A  58
THR A 108
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 (-4.3A)
 0.49A 5eajB-3um6A:
19.7		 5eajB-3um6A:
13.05
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
PHE A  32
LYS A  33
THR A  53
ILE A  57
LEU A  64
TYR A 117
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.84A 5eajB-3vcoA:
18.9		 5eajB-3vcoA:
29.35
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.
3zyp CIP1

(Trichoderma
reesei) 		no annotation 5 ILE A  87
THR A 153
ILE A 151
LEU A 145
THR A  85
 None
None
None
None
PEG  A1224 (-3.2A)
 1.08A 5eajB-3zypA:
undetectable		 5eajB-3zypA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bms ALCLOHOL
DEHYDROGENASE/SHORT-
CHAIN DEHYDROGENASE

(Ralstonia sp.
DSMZ 6428) 		PF13561
(adh_short_C2) 		5 LEU A  70
THR A   8
ILE A  81
LEU A 125
PRO A 124
 None
 0.98A 5eajB-4bmsA:
2.3		 5eajB-4bmsA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fho INTERNALIN C2

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6) 		6 ILE A  47
LEU A  53
PHE A  48
THR A  61
ILE A  78
LEU A  97
 None
 1.34A 5eajB-4fhoA:
undetectable		 5eajB-4fhoA:
20.83
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) 		8 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.55A 5eajB-4g8zX:
19.5		 5eajB-4g8zX:
30.54
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) 		9 ILE A   9
ALA A  11
PHE A  36
LYS A  37
THR A  58
ILE A  62
LEU A  69
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
None
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.6A)
 0.93A 5eajB-4h96A:
17.5		 5eajB-4h96A:
32.31
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
PHE A  36
THR A  58
ILE A  62
LEU A  69
PRO A  70
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
None
 0.74A 5eajB-4h96A:
17.5		 5eajB-4h96A:
32.31
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
PRO A  70
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
None
14Q  A 302 (-4.2A)
 0.66A 5eajB-4h98A:
18.1		 5eajB-4h98A:
27.23
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  64
THR A 288
ILE A 287
LEU A 109
THR A   4
 None
 1.11A 5eajB-4hnlA:
undetectable		 5eajB-4hnlA:
15.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  31
THR A  46
LEU A  57
PRO A  58
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
None
TMQ  A 202 (-4.2A)
 0.35A 5eajB-4m2xA:
22.3		 5eajB-4m2xA:
35.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LEU A  55
PRO A  56
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 4.6A)
RAR  A 200 (-4.4A)
 0.68A 5eajB-4m7vA:
23.3		 5eajB-4m7vA:
37.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  28
PHE A  31
THR A  46
PRO A  56
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 ( 4.6A)
RAR  A 200 (-4.4A)
 0.57A 5eajB-4m7vA:
23.3		 5eajB-4m7vA:
37.71
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.
4ndk E23P-YFP, GFP-LIKE
FLUORESCENT
CHROMOPROTEIN FP506,
RELATED, CHIMERIC
CONSTRUCT,

(Eimeria
acervulina;
Aequorea
victoria) 		PF00046
(Homeobox)
PF01353
(GFP) 		6 ALA A 163
LEU A 117
ILE A  67
LEU A  95
TYR A 145
THR A 161
 None
CR2  A 118 ( 4.1A)
None
None
None
None
 1.38A 5eajB-4ndkA:
undetectable		 5eajB-4ndkA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 312
LEU A 342
PHE A 344
ILE A 375
PRO A 378
 None
 0.96A 5eajB-4oc9A:
undetectable		 5eajB-4oc9A:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oiy PROTEIN TRANSPORT
PROTEIN SEC7

(Saccharomyces
cerevisiae) 		PF01369
(Sec7) 		6 ILE A 907
ALA A 935
PHE A 946
ILE A 987
LEU A 993
PRO A 994
 None
 1.47A 5eajB-4oiyA:
undetectable		 5eajB-4oiyA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4okr MICRONEMAL PROTEIN
MIC2

(Toxoplasma
gondii) 		PF00090
(TSP_1)
PF00092
(VWA) 		5 ILE A 256
LEU A  99
PHE A 102
ILE A  77
LEU A 106
 None
 1.12A 5eajB-4okrA:
undetectable		 5eajB-4okrA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovk PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ILE A 300
PHE A  96
LYS A  97
ILE A  83
LEU A 103
 None
 1.07A 5eajB-4ovkA:
undetectable		 5eajB-4ovkA:
20.77
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) 		10 ILE A   5
ALA A   7
TRP A  30
PHE A  31
LYS A  32
THR A  46
ILE A  50
PRO A  55
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
None
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
None
MTX  A 201 ( 4.5A)
 0.50A 5eajB-4p68A:
28.8		 5eajB-4p68A:
97.48
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.
4ql6 CARBOXY-TERMINAL
PROCESSING PROTEASE

(Chlamydia
trachomatis) 		PF00595
(PDZ)
PF03572
(Peptidase_S41) 		5 ILE A 220
LEU A 103
PHE A 100
LEU A  88
PRO A  87
 None
 0.76A 5eajB-4ql6A:
undetectable		 5eajB-4ql6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qxe LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4, LINKER,
VARIABLE LYMPHOCYTE
RECEPTOR B

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 PHE A  77
ILE A  69
LEU A  72
PRO A  73
THR A  59
 None
 0.99A 5eajB-4qxeA:
undetectable		 5eajB-4qxeA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qxf LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13855
(LRR_8) 		5 PHE A  77
ILE A  69
LEU A  72
PRO A  73
THR A  59
 None
 1.09A 5eajB-4qxfA:
undetectable		 5eajB-4qxfA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rm4 CYTOCHROME P450

(Bacillus
subtilis) 		PF00067
(p450) 		5 ILE A  81
LEU A 229
PHE A 232
ILE A 210
LEU A 236
 HEM  A 401 (-4.3A)
None
None
None
HEM  A 401 ( 4.1A)
 1.07A 5eajB-4rm4A:
undetectable		 5eajB-4rm4A:
15.25
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A2678
ALA A2502
LEU A2568
ILE A2756
LEU A2685
 None
 1.11A 5eajB-4z37A:
undetectable		 5eajB-4z37A:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A1419
LEU A1409
THR A1576
ILE A1581
LEU A1376
 None
 1.02A 5eajB-5a31A:
undetectable		 5eajB-5a31A:
8.41
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.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		5 ILE A 129
ALA A 123
PHE A 207
PRO A 147
TYR A 193
 None
 1.00A 5eajB-5aeeA:
undetectable		 5eajB-5aeeA:
12.45
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.
5al7 SPINDLE ASSEMBLY
ABNORMAL PROTEIN 6
HOMOLOG

(Drosophila
melanogaster) 		PF16531
(SAS-6_N) 		5 ILE A  98
LEU A  90
PHE A  97
LEU A 151
PRO A 152
 None
 1.10A 5eajB-5al7A:
undetectable		 5eajB-5al7A:
21.27
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.
5de0 DEFERROCHELATASE

(Vibrio cholerae) 		PF04261
(Dyp_perox) 		5 ILE A 118
THR A  19
ILE A  97
LEU A  37
PRO A  38
 None
 1.10A 5eajB-5de0A:
undetectable		 5eajB-5de0A:
18.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ALA A   6
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
PRO A  72
 NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
 1.47A 5eajB-5dxvA:
17.3		 5eajB-5dxvA:
69.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		10 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
PRO A  72
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.50A 5eajB-5dxvA:
17.3		 5eajB-5dxvA:
69.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		9 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
LEU A  71
PRO A  72
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.73A 5eajB-5dxvA:
17.3		 5eajB-5dxvA:
69.66
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 ALA A   7
THR A  47
ILE A  51
LEU A  55
PRO A  56
 None
 1.10A 5eajB-5fdaA:
19.7		 5eajB-5fdaA:
80.00
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) 		8 ILE A   6
ALA A   8
THR A  47
ILE A  51
LEU A  55
PRO A  56
TYR A 101
THR A 114
 None
 0.65A 5eajB-5fdaA:
19.7		 5eajB-5fdaA:
80.00
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.
5j36 BEAK AND FEATHER
DISEASE VIRUS CAPSID
PROTEIN

(Beak and
feather disease
virus) 		no annotation 5 LEU E 231
THR E 125
ILE E 214
LEU E 166
PRO E 168
 None
 0.96A 5eajB-5j36E:
undetectable		 5eajB-5j36E:
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.
5kh1 INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 ILE A 204
ALA A 206
TRP A 205
LEU A 177
PRO A 178
 None
 0.91A 5eajB-5kh1A:
undetectable		 5eajB-5kh1A:
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A1419
LEU A1409
THR A1576
ILE A1581
LEU A1376
 None
 0.97A 5eajB-5lcwA:
undetectable		 5eajB-5lcwA:
6.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 ILE A 767
ALA A 769
THR A 201
ILE A 200
LEU A 253
 None
 1.11A 5eajB-5lq3A:
undetectable		 5eajB-5lq3A:
8.98
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 ILE A 165
ALA A 169
ILE A 323
LEU A 308
THR A 168
 None
 1.03A 5eajB-5o1mA:
undetectable		 5eajB-5o1mA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
PHE A  35
THR A  83
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
None
73X  A 704 (-4.2A)
 0.28A 5eajB-5t0lA:
20.5		 5eajB-5t0lA:
13.77
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.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E

(Staphylococcus
aureus) 		no annotation 5 ILE A 124
THR A 135
ILE A 288
LEU A 265
TYR A 106
 None
 1.11A 5eajB-5xoeA:
2.1		 5eajB-5xoeA:
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.
5y0s THERMOTOGA MARITIMA
TMCAL

(Thermotoga
maritima) 		no annotation 5 ILE A  50
ALA A  48
ILE A 213
LEU A 229
PRO A 230
 None
 1.03A 5eajB-5y0sA:
undetectable		 5eajB-5y0sA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
PRO A  59
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)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
None
MMV  A 202 (-4.4A)
 0.44A 5eajB-6cxmA:
20.8		 5eajB-6cxmA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
LEU A  29
PHE A  32
THR A  47
LEU A  58
PRO A  59
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-4.4A)
 0.84A 5eajB-6cxmA:
20.8		 5eajB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 7 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
PRO A  55
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.61A 5eajB-6e4eA:
24.8		 5eajB-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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 ILE L  95
ALA L 206
ILE L 247
LEU L 439
THR L 212
 None
 1.09A 5eajB-6ehsL:
undetectable		 5eajB-6ehsL:
undetectable