SIMILAR PATTERNS OF AMINO ACIDS FOR 4M2X_E_TMQE202_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bgp BARLEY GRAIN
PEROXIDASE

(Hordeum vulgare) 		PF00141
(peroxidase) 		5 ILE A 281
ASP A 147
ARG A 288
LEU A 162
ILE A 175
 None
None
None
None
HEM  A 400 (-3.7A)
 1.00A 4m2xE-1bgpA:
undetectable		 4m2xE-1bgpA:
20.45
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.
1cf7 PROTEIN
(TRANSCRIPTION
FACTOR DP-2)
PROTEIN
(TRANSCRIPTION
FACTOR E2F-4)

(Homo sapiens) 		PF02319
(E2F_TDP) 		5 ILE B 136
ALA B 126
LEU A  70
LEU B 148
ILE B 135
 None
 1.04A 4m2xE-1cf7B:
undetectable		 4m2xE-1cf7B:
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.
1g5u PROFILIN

(Hevea
brasiliensis) 		PF00235
(Profilin) 		5 ILE A1105
ALA A1024
ILE A1026
LEU A1065
ILE A1092
 None
 1.03A 4m2xE-1g5uA:
undetectable		 4m2xE-1g5uA:
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.
1i5e URACIL
PHOSPHORIBOSYLTRANSF
ERASE

([Bacillus]
caldolyticus) 		PF14681
(UPRTase) 		5 ILE A  77
LEU A 118
PRO A 119
LEU A 147
ILE A 100
 None
 0.95A 4m2xE-1i5eA:
undetectable		 4m2xE-1i5eA:
21.80
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
LEU A  59
PRO A  60
LEU A  63
ILE A 127
 None
 0.84A 4m2xE-1juvA:
16.6		 4m2xE-1juvA:
26.26
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.
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		5 ILE A 713
ALA A 715
ASP A 732
ILE A 733
ILE A 709
 None
 1.04A 4m2xE-1kspA:
undetectable		 4m2xE-1kspA:
14.31
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.
1opo COAT PROTEIN

(Carnation
mottle virus) 		PF00729
(Viral_coat)
PF08462
(Carmo_coat_C) 		5 ALA A 159
ASP A 192
ARG A 196
LEU A 135
ILE A 214
 None
 0.86A 4m2xE-1opoA:
undetectable		 4m2xE-1opoA:
16.57
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.
1qou CEN

(Antirrhinum
majus) 		PF01161
(PBP) 		5 ALA A 166
ASP A  14
ILE A  12
ARG A 119
ILE A  67
 None
 1.01A 4m2xE-1qouA:
undetectable		 4m2xE-1qouA:
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.
1tzx N UTILIZATION
SUBSTANCE PROTEIN B
HOMOLOG

(Thermotoga
maritima) 		PF01029
(NusB) 		5 ILE A 130
ALA A  88
LEU A  77
LEU A  69
ILE A 126
 None
 1.05A 4m2xE-1tzxA:
undetectable		 4m2xE-1tzxA:
20.99
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.
1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 ILE A 101
ASP A  26
LEU A  37
LEU A  92
ILE A 104
 None
 1.08A 4m2xE-1u2eA:
undetectable		 4m2xE-1u2eA:
19.73
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) 		6 ILE A   7
ALA A   9
ASP A  21
PRO A  61
LEU A  67
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
None
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
None
 0.74A 4m2xE-1u70A:
20.1		 4m2xE-1u70A:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
ASP A  21
PRO A  61
LEU A  67
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
None
MXA  A 187 (-4.4A)
None
None
 0.51A 4m2xE-1u71A:
21.0		 4m2xE-1u71A:
31.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 ILE A 301
ALA A 255
ILE A 393
LEU A 366
LEU A 359
 None
 0.98A 4m2xE-1ycgA:
undetectable		 4m2xE-1ycgA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ys9 PROTEIN SPY1043

(Streptococcus
pyogenes) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ALA A  23
ASP A 206
LEU A  10
LEU A  56
ILE A  28
 None
 1.01A 4m2xE-1ys9A:
3.7		 4m2xE-1ys9A:
24.90
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.
1zbo HYPOTHETICAL PROTEIN
BPP1347

(Bordetella
parapertussis) 		PF02190
(LON_substr_bdg) 		5 ALA A 198
LEU A 172
PRO A 173
LEU A 180
ILE A 192
 None
 1.09A 4m2xE-1zboA:
undetectable		 4m2xE-1zboA:
22.61
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) 		5 ILE A   5
ALA A   7
ASP A  27
LEU A  54
ILE A  96
 None
None
None
SO4  A3486 (-4.2A)
None
 0.43A 4m2xE-1zdrA:
7.5		 4m2xE-1zdrA:
34.73
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.
2avt DNA POLYMERASE III
BETA SUBUNIT

(Streptococcus
pyogenes) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ILE A   2
ILE A  94
LEU A  15
LEU A  45
ILE A  36
 None
 1.09A 4m2xE-2avtA:
undetectable		 4m2xE-2avtA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
ASP A  53
PRO A 122
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.71A 4m2xE-2blbA:
19.2		 4m2xE-2blbA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e11 HYDROLASE

(Xanthomonas
campestris) 		PF00795
(CN_hydrolase) 		5 ALA A  77
LEU A 170
PRO A 140
LEU A 168
ILE A   6
 None
 1.07A 4m2xE-2e11A:
undetectable		 4m2xE-2e11A:
19.93
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ILE A 124
ASP A 134
ARG A 496
LEU A 139
ILE A 150
 None
None
None
PGE  A 777 ( 4.9A)
PGE  A 777 ( 4.7A)
 1.05A 4m2xE-2f3oA:
undetectable		 4m2xE-2f3oA:
12.69
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.
2fc3 50S RIBOSOMAL
PROTEIN L7AE

(Aeropyrum
pernix) 		PF01248
(Ribosomal_L7Ae) 		5 ILE A 101
ASP A  71
ARG A 122
LEU A  66
PRO A  67
 None
 0.97A 4m2xE-2fc3A:
undetectable		 4m2xE-2fc3A:
22.84
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.
2fm8 CELL INVASION
PROTEIN SIPA
SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAK

(Salmonella
enterica) 		PF03519
(Invas_SpaK)
PF09052
(SipA) 		5 ILE A  54
ARG A  11
LEU C  31
LEU C  27
ILE A  43
 None
 1.08A 4m2xE-2fm8A:
undetectable		 4m2xE-2fm8A:
24.20
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.
2fzl DNA REPAIR PROTEIN
RAD25, XPB

(Archaeoglobus
fulgidus) 		PF16203
(ERCC3_RAD25_C) 		5 ILE A 352
ALA A 413
ASP A 405
ILE A 435
ILE A 354
 None
 1.05A 4m2xE-2fzlA:
undetectable		 4m2xE-2fzlA:
25.88
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ILE A  41
ASP A  48
LEU A  91
ILE A 154
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
None
 0.62A 4m2xE-2h2qA:
19.7		 4m2xE-2h2qA:
20.04
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.
2hv2 HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ILE A 323
ASP A 375
ILE A 378
LEU A 372
LEU A 356
 None
 1.09A 4m2xE-2hv2A:
undetectable		 4m2xE-2hv2A:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ki7 RIBONUCLEASE P
PROTEIN COMPONENT 1

(Pyrococcus
furiosus) 		PF01868
(UPF0086) 		5 ILE A  95
ILE A  80
LEU A  48
LEU A 113
ILE A 108
 None
 1.06A 4m2xE-2ki7A:
undetectable		 4m2xE-2ki7A:
22.22
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.
2oce HYPOTHETICAL PROTEIN
PA5201

(Pseudomonas
aeruginosa) 		PF00575
(S1)
PF09371
(Tex_N)
PF12836
(HHH_3)
PF16921
(Tex_YqgF) 		5 ALA A 330
ASP A 355
LEU A 375
LEU A 405
ILE A 387
 None
 0.98A 4m2xE-2oceA:
undetectable		 4m2xE-2oceA:
12.08
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor) 		PF02668
(TauD) 		5 ALA A  32
GLN A  99
LEU A  88
PRO A  89
LEU A 173
 None
 1.09A 4m2xE-2og7A:
undetectable		 4m2xE-2og7A:
21.86
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.
2omv INTERNALIN-A

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ILE A 222
ASP A 277
LEU A 280
LEU A 263
ILE A 244
 None
 1.08A 4m2xE-2omvA:
undetectable		 4m2xE-2omvA:
15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vd9 ALANINE RACEMASE

(Bacillus
anthracis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A  36
ALA A  56
ILE A  19
LEU A 246
ILE A  26
 None
None
None
MLY  A 245 ( 4.1A)
MLY  A  27 ( 3.7A)
 0.96A 4m2xE-2vd9A:
undetectable		 4m2xE-2vd9A:
17.39
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
ILE A  24
ASP A  31
LEU A  54
PRO A  55
LEU A  61
ILE A 102
TYR A 108
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
None
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.35A 4m2xE-2w3wA:
10.5		 4m2xE-2w3wA:
68.26
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) 		7 ASP A  23
ILE A  24
LEU A  54
PRO A  55
LEU A  61
ILE A 102
TYR A 108
 None
NDP  A1169 ( 4.4A)
None
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.76A 4m2xE-2w3wA:
10.5		 4m2xE-2w3wA:
68.26
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) 		5 ILE A   5
ALA A   7
ASP A  27
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
 0.45A 4m2xE-2w9sA:
8.2		 4m2xE-2w9sA:
31.93
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.
3a71 EXO-ARABINANASE

(Penicillium
chrysogenum) 		no annotation 5 ILE A  90
ASP A 146
LEU A 125
LEU A 108
ILE A  77
 None
 1.04A 4m2xE-3a71A:
undetectable		 4m2xE-3a71A:
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ILE A  14
ALA A  16
ASP A  54
PRO A 113
LEU A 119
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
 0.57A 4m2xE-3dg8A:
19.2		 4m2xE-3dg8A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e6c CYCLIC
NUCLEOTIDE-BINDING
PROTEIN

(Desulfitobacterium
hafniense) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 ILE C  22
ILE C  84
LEU C  87
LEU C 112
ILE C 126
 None
3C4  C 604 (-4.4A)
None
None
None
 1.05A 4m2xE-3e6cC:
undetectable		 4m2xE-3e6cC:
18.67
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.
3epr HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
agalactiae) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ALA A  25
ASP A 207
LEU A  12
LEU A  58
ILE A  30
 None
NA  A 266 (-2.6A)
None
None
None
 1.08A 4m2xE-3eprA:
3.6		 4m2xE-3eprA:
21.69
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.
3f67 PUTATIVE
DIENELACTONE
HYDROLASE

(Klebsiella
pneumoniae) 		PF01738
(DLH) 		5 ALA A 130
ASP A  90
ARG A 124
LEU A  64
ILE A  33
 None
 0.98A 4m2xE-3f67A:
undetectable		 4m2xE-3f67A:
23.85
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.
3fiu NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Francisella
tularensis) 		PF02540
(NAD_synthase) 		5 ILE A 187
ILE A  34
LEU A 166
PRO A 165
ILE A  40
 None
None
None
None
POP  A4001 (-4.9A)
 1.01A 4m2xE-3fiuA:
undetectable		 4m2xE-3fiuA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ILE A 216
ASP A 127
ILE A 128
ARG A 153
ILE A 149
 None
 1.00A 4m2xE-3gmeA:
undetectable		 4m2xE-3gmeA:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		5 ILE M 159
ALA M 163
LEU M 194
LEU M 200
ILE M 185
 None
 1.01A 4m2xE-3i04M:
2.0		 4m2xE-3i04M:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i36 VASCULAR PROTEIN
TYROSINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00102
(Y_phosphatase) 		5 ILE A1135
ILE A1114
LEU A1017
LEU A1094
ILE A1131
 None
 1.06A 4m2xE-3i36A:
undetectable		 4m2xE-3i36A:
18.37
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) 		5 ILE A   6
ALA A   8
LEU A  55
ILE A  96
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
 0.47A 4m2xE-3ia4A:
8.5		 4m2xE-3ia4A:
35.50
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 ILE U 474
ALA U 472
LEU U 505
ILE U 499
TYR U  74
 None
 1.08A 4m2xE-3j2nU:
undetectable		 4m2xE-3j2nU:
13.67
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.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		6 ILE A 350
ALA A 335
ASP A 410
ARG A 328
LEU A 404
ILE A 357
 None
 1.48A 4m2xE-3k28A:
undetectable		 4m2xE-3k28A:
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.
3k2b GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A 144
ALA A 134
LEU A  25
PRO A  24
ILE A 117
 None
 1.04A 4m2xE-3k2bA:
2.0		 4m2xE-3k2bA:
17.60
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ILE A  29
ASP A  37
LEU A  80
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
None
None
 0.50A 4m2xE-3kjrA:
19.8		 4m2xE-3kjrA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lu2 LMO2462 PROTEIN

(Listeria
monocytogenes) 		PF01244
(Peptidase_M19) 		5 ILE A 189
LEU A 306
PRO A 307
LEU A  90
ILE A   4
 None
 0.92A 4m2xE-3lu2A:
undetectable		 4m2xE-3lu2A:
18.27
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.
3o7b RIBOSOME BIOGENESIS
NEP1 RNA
METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF03587
(EMG1) 		5 ILE A 120
ASP A  74
ARG A 102
LEU A  69
ILE A 128
 None
 1.00A 4m2xE-3o7bA:
undetectable		 4m2xE-3o7bA:
27.15
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.
3qll CITRATE LYASE

(Yersinia pestis) 		PF03328
(HpcH_HpaI) 		6 ILE A  81
ALA A  79
ASP A  37
LEU A  97
LEU A 111
ILE A  84
 None
 1.03A 4m2xE-3qllA:
undetectable		 4m2xE-3qllA:
19.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		8 ALA A  34
ILE A  47
ASP A  54
LEU A  90
PRO A  91
LEU A  97
ILE A 160
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-4.8A)
WRA  A 602 (-4.3A)
None
WRA  A 602 ( 3.9A)
None
 0.47A 4m2xE-3rg9A:
19.4		 4m2xE-3rg9A:
32.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE

(Vibrio cholerae) 		PF00857
(Isochorismatase) 		5 ILE A 142
ILE A 188
LEU A  15
PRO A  16
ILE A 169
 None
 1.07A 4m2xE-3tb4A:
undetectable		 4m2xE-3tb4A:
21.93
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.
3tdw GENTAMICIN
RESISTANCE PROTEIN

(Enterococcus
gallinarum) 		PF01636
(APH) 		5 ILE A 217
ASP A 200
LEU A 120
LEU A 213
ILE A 216
 GDP  A 500 ( 4.1A)
MG  A 501 ( 4.9A)
None
None
None
 1.06A 4m2xE-3tdwA:
undetectable		 4m2xE-3tdwA:
19.54
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) 		5 ILE A   6
ALA A   8
ASP A  28
LEU A  55
ILE A  96
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
 0.27A 4m2xE-3tq9A:
9.1		 4m2xE-3tq9A:
35.48
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 ILE A 464
ALA A 466
ASP A 488
ARG A 625
PRO A 629
 None
 1.01A 4m2xE-3txoA:
undetectable		 4m2xE-3txoA:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
ASP A  54
PRO A 113
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
 0.63A 4m2xE-3um6A:
19.0		 4m2xE-3um6A:
15.46
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) 		6 ALA A   8
ASP A  28
PRO A  58
LEU A  64
ILE A 111
TYR A 117
 None
 0.73A 4m2xE-3vcoA:
6.6		 4m2xE-3vcoA:
31.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vvc CAPSULAR
POLYSACCHARIDE
SYNTHESIS ENZYME
CAP8E

(Staphylococcus
aureus) 		PF02719
(Polysacc_synt_2)
PF08485
(Polysacc_syn_2C) 		5 ILE A 175
ALA A 235
ASP A 245
LEU A 334
ILE A 179
 None
 1.02A 4m2xE-3vvcA:
3.0		 4m2xE-3vvcA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w1h L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 ILE A 339
ALA A  87
ILE A  80
LEU A 256
ILE A 342
 None
LLP  A 285 ( 3.9A)
LLP  A 285 ( 4.8A)
None
None
 1.03A 4m2xE-3w1hA:
2.6		 4m2xE-3w1hA:
15.45
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.
3zus BOTULINUM NEUROTOXIN
TYPE A,
SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 23

(Clostridium
botulinum;
Homo sapiens) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 ILE A 154
LEU A 225
LEU A 151
ILE A 153
TYR A  87
 None
 1.08A 4m2xE-3zusA:
undetectable		 4m2xE-3zusA:
10.25
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.
4a4z ANTIVIRAL HELICASE
SKI2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		5 ALA A 761
ILE A 510
LEU A 518
LEU A 621
ILE A 737
 None
 1.08A 4m2xE-4a4zA:
undetectable		 4m2xE-4a4zA:
9.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aii GTP-BINDING PROTEIN
REM 2

(Rattus
norvegicus) 		PF00071
(Ras) 		5 ILE A 278
ILE A 157
ARG A 155
LEU A 270
LEU A 193
 None
 1.07A 4m2xE-4aiiA:
undetectable		 4m2xE-4aiiA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ILE A 216
ASP A 127
ILE A 128
ARG A 153
ILE A 149
 None
 0.98A 4m2xE-4am3A:
undetectable		 4m2xE-4am3A:
12.88
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.
4e09 PLASMID PARTITIONING
PROTEIN PARF

(Escherichia
coli) 		PF01656
(CbiA) 		5 ILE A 204
ALA A 133
ILE A 103
LEU A 197
ILE A 201
 None
 1.01A 4m2xE-4e09A:
4.3		 4m2xE-4e09A:
23.08
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.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		5 ALA A 188
ARG A 165
LEU A 171
LEU A 143
ILE A 126
 None
 1.04A 4m2xE-4ex9A:
undetectable		 4m2xE-4ex9A:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		5 ILE A 221
ASP A 245
ARG A 263
LEU A 285
ILE A 303
 None
OCS  A 246 ( 4.2A)
None
None
None
 1.08A 4m2xE-4fdyA:
undetectable		 4m2xE-4fdyA:
19.55
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) 		6 ILE X  10
ALA X  12
PRO X  66
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
 0.59A 4m2xE-4g8zX:
20.0		 4m2xE-4g8zX:
30.54
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.
4gq1 NUP37

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		5 ILE A 116
ASP A 142
ILE A 143
LEU A  74
ILE A 115
 None
 1.04A 4m2xE-4gq1A:
undetectable		 4m2xE-4gq1A:
15.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ILE A   9
ALA A  11
LEU A  69
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
None
14Q  A 202 ( 4.2A)
None
 0.61A 4m2xE-4h96A:
16.8		 4m2xE-4h96A:
29.74
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ILE A   9
PRO A  63
LEU A  69
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
None
None
14Q  A 202 ( 4.2A)
None
 0.47A 4m2xE-4h96A:
16.8		 4m2xE-4h96A:
29.74
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ILE A   9
ALA A  11
PRO A  63
LEU A  69
ILE A 121
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-4.4A)
None
14Q  A 302 ( 4.0A)
None
 0.47A 4m2xE-4h98A:
18.0		 4m2xE-4h98A:
27.39
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.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		5 ILE A 179
ILE A 150
LEU A 139
PRO A 138
LEU A 169
 None
 1.00A 4m2xE-4hjwA:
undetectable		 4m2xE-4hjwA:
19.13
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.
4hri HETEROCYST
DIFFERENTIATION
CONTROL PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ILE B 104
LEU B 178
LEU B 182
ILE B 186
TYR B 108
 None
 1.06A 4m2xE-4hriB:
undetectable		 4m2xE-4hriB:
19.81
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		5 ILE A 234
ILE A 612
LEU A 172
LEU A 176
ILE A 235
 None
 1.07A 4m2xE-4jc8A:
undetectable		 4m2xE-4jc8A:
12.96
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.
4nv0 7-METHYLGUANOSINE
PHOSPHATE-SPECIFIC
5'-NUCLEOTIDASE

(Drosophila
melanogaster) 		PF05822
(UMPH-1) 		5 ILE A 265
ILE A  60
LEU A 160
LEU A 300
ILE A 241
 None
 0.99A 4m2xE-4nv0A:
undetectable		 4m2xE-4nv0A:
20.00
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) 		5 ILE A   5
ALA A   7
ASP A  27
ILE A  94
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
 0.23A 4m2xE-4p68A:
23.0		 4m2xE-4p68A:
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.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		5 ALA A  37
LEU A 259
PRO A 260
LEU A 267
ILE A  40
 None
 0.93A 4m2xE-4xeqA:
undetectable		 4m2xE-4xeqA:
19.58
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.
4yc6 CYCLIN-DEPENDENT
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 281
ILE A 187
LEU A 129
LEU A 144
ILE A 112
 None
 0.89A 4m2xE-4yc6A:
undetectable		 4m2xE-4yc6A:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
LEU A  71
ILE A 111
TYR A 117
 None
NAP  A 201 (-3.7A)
None
None
None
 0.51A 4m2xE-5dxvA:
8.2		 4m2xE-5dxvA:
30.05
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.
5dzq TOXIN-LIKE PROTEIN

(Paenibacillus
larvae) 		PF03496
(ADPrib_exo_Tox) 		5 ILE A  79
ASP A 170
ILE A 169
LEU A 136
LEU A 117
 None
GOL  A 202 (-3.4A)
None
None
None
 1.05A 4m2xE-5dzqA:
undetectable		 4m2xE-5dzqA:
19.81
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.
5e1v POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		no annotation 5 ILE B  43
ILE B  64
LEU B  68
LEU B  78
ILE B  42
 None
 0.98A 4m2xE-5e1vB:
undetectable		 4m2xE-5e1vB:
21.76
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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		5 ILE A1217
ALA A1211
ARG A1375
LEU A1408
ILE A1428
 None
 0.91A 4m2xE-5ffjA:
undetectable		 4m2xE-5ffjA:
7.85
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT ALPHA
T-COMPLEX PROTEIN 1
SUBUNIT DELTA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ILE d  48
ILE d  35
LEU a  13
LEU a  15
ILE a 545
 None
 1.01A 4m2xE-5gw5d:
undetectable		 4m2xE-5gw5d:
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.
5h1z PUTATIVE CYP ALKANE
HYDROXYLASE
CYP153D17

(Sphingomonas
sp. PAMC 26605) 		PF00067
(p450) 		5 ILE A 286
ALA A 343
LEU A 271
LEU A 370
ILE A 285
 HEM  A 501 ( 4.6A)
None
None
None
None
 1.05A 4m2xE-5h1zA:
undetectable		 4m2xE-5h1zA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ixq RECEPTOR-LIKE
PROTEIN KINASE 5

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE A 443
ILE A 477
LEU A 504
LEU A 506
ILE A 467
 None
 1.01A 4m2xE-5ixqA:
undetectable		 4m2xE-5ixqA:
13.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kh5 ISOPRENYL
TRANSFERASE

(Streptococcus
pneumoniae) 		PF01255
(Prenyltransf) 		5 ALA A  71
ILE A  87
LEU A 118
PRO A 119
LEU A 126
 None
 1.08A 4m2xE-5kh5A:
undetectable		 4m2xE-5kh5A:
21.88
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ILE A 100
ALA A  77
ASP A  22
PRO A  69
ILE A  85
 None
 1.07A 4m2xE-5m2nA:
undetectable		 4m2xE-5m2nA:
12.11
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.
5med ARACHIDONATE
15-LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		5 ALA A 152
ASP A 357
LEU A 364
PRO A 365
LEU A 210
 None
 1.04A 4m2xE-5medA:
undetectable		 4m2xE-5medA:
14.50
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 ALA A 151
ILE A 222
ARG A 202
GLN A 218
LEU A  33
 HEM  A 600 (-3.8A)
HEM  A 600 ( 4.1A)
None
None
None
 1.05A 4m2xE-5o1mA:
undetectable		 4m2xE-5o1mA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ohs -

(-) 		no annotation 5 ALA A 177
ARG A 174
LEU A  20
LEU A 102
ILE A 207
 None
 0.94A 4m2xE-5ohsA:
undetectable		 4m2xE-5ohsA:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
ASP A  31
PRO A  88
LEU A  94
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-4.0A)
None
None
 0.56A 4m2xE-5t0lA:
8.8		 4m2xE-5t0lA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uf2 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Neisseria
gonorrhoeae) 		PF06026
(Rib_5-P_isom_A) 		6 ILE A 190
ALA A 136
ARG A 158
PRO A 131
LEU A 175
ILE A 187
 None
None
None
None
EDO  A 309 (-4.4A)
None
 1.37A 4m2xE-5uf2A:
undetectable		 4m2xE-5uf2A:
23.88
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 5 ILE A 331
LEU A 342
PRO A 343
LEU A 311
ILE A 332
 None
 1.05A 4m2xE-5y9dA:
undetectable		 4m2xE-5y9dA:
16.88
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.
5zcy PROTEIN TRANSLATION
FACTOR SUI1 HOMOLOG

(Pyrococcus
horikoshii) 		no annotation 5 ILE A  96
ARG A  71
LEU A  74
LEU A  57
ILE A  82
 None
 1.00A 4m2xE-5zcyA:
undetectable		 4m2xE-5zcyA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 5 ILE A1034
ASP A 987
ARG A1060
LEU A1017
ILE A1041
 None
 0.97A 4m2xE-6bq1A:
undetectable		 4m2xE-6bq1A:
0.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ILE A   6
ALA A   8
ILE A  21
ASP A  28
LEU A  51
PRO A  52
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.39A 4m2xE-6cxmA:
9.3		 4m2xE-6cxmA:
47.71
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.
6d6k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Acinetobacter
baumannii) 		no annotation 5 ILE A 217
ASP A 128
ILE A 129
ARG A 154
ILE A 150
 None
 1.05A 4m2xE-6d6kA:
undetectable		 4m2xE-6d6kA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 ILE L 247
ILE L 447
LEU L 235
LEU L 208
ILE L 243
 None
 1.06A 4m2xE-6ehsL:
undetectable		 4m2xE-6ehsL:
19.87