SIMILAR PATTERNS OF AMINO ACIDS FOR 4M2X_C_TMQC202_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  27
LEU A  55
ILE A 100
THR A 121
 None
 0.52A 4m2xC-1cz3A:
17.6		 4m2xC-1cz3A:
31.28
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) 		5 ILE A   7
ALA A   9
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
None
None
HBI  A 198 ( 4.5A)
 0.44A 4m2xC-1dr6A:
20.6		 4m2xC-1dr6A:
30.69
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) 		5 ILE A   7
ALA A   9
PRO A  61
LEU A  67
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
None
None
None
 0.64A 4m2xC-1dr6A:
20.6		 4m2xC-1dr6A:
30.69
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.
1g5u PROFILIN

(Hevea
brasiliensis) 		PF00235
(Profilin) 		5 ILE A1105
ALA A1024
ILE A1026
LEU A1065
ILE A1092
 None
 1.07A 4m2xC-1g5uA:
undetectable		 4m2xC-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
 0.99A 4m2xC-1i5eA:
undetectable		 4m2xC-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
 0.77A 4m2xC-1juvA:
16.8		 4m2xC-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.
1mx3 C-TERMINAL BINDING
PROTEIN 1

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 265
LEU A 223
LEU A 227
ILE A 247
THR A 264
 NAD  A1000 (-3.9A)
None
None
None
None
 0.83A 4m2xC-1mx3A:
4.4		 4m2xC-1mx3A:
21.26
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.
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
 1.02A 4m2xC-1tzxA:
undetectable		 4m2xC-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
 1.07A 4m2xC-1u2eA:
undetectable		 4m2xC-1u2eA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u5u ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		no annotation 5 ILE A 273
ALA A 304
ILE A  77
PRO A 131
LEU A 331
 None
 1.03A 4m2xC-1u5uA:
undetectable		 4m2xC-1u5uA:
18.85
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
PRO A  61
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.52A 4m2xC-1u70A:
20.3		 4m2xC-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
PRO A  61
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-4.4A)
None
None
MXA  A 187 (-4.3A)
 0.41A 4m2xC-1u71A:
21.0		 4m2xC-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.
1xec DECORIN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ILE A 204
ILE A 162
LEU A 190
LEU A 197
ILE A 186
 None
 0.90A 4m2xC-1xecA:
undetectable		 4m2xC-1xecA:
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.
1y3n ALGQ1

(Sphingomonas
sp. A1) 		PF01547
(SBP_bac_1) 		5 ILE A 184
LEU A 164
LEU A 160
ILE A 141
THR A 274
 None
 0.98A 4m2xC-1y3nA:
undetectable		 4m2xC-1y3nA:
16.56
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.
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
 1.01A 4m2xC-1zboA:
undetectable		 4m2xC-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) 		6 ILE A   5
ALA A   7
ASP A  27
LEU A  54
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.2A)
None
None
 0.37A 4m2xC-1zdrA:
7.6		 4m2xC-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.
1zhg BETA
HYDROXYACYL-ACYL
CARRIER PROTEIN
DEHYDRATASE

(Plasmodium
falciparum) 		PF07977
(FabA) 		5 ILE A 221
ALA A 193
GLN A 151
LEU A 189
ILE A 219
 None
 1.01A 4m2xC-1zhgA:
undetectable		 4m2xC-1zhgA:
21.25
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
ASP A  53
PRO A 122
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.68A 4m2xC-2blbA:
19.4		 4m2xC-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
 1.03A 4m2xC-2e11A:
undetectable		 4m2xC-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.
2ft3 BIGLYCAN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ILE A 135
ILE A  93
LEU A 121
LEU A 128
ILE A 117
 None
 1.01A 4m2xC-2ft3A:
undetectable		 4m2xC-2ft3A:
19.80
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.
2fvg ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 ILE A 261
PRO A 212
LEU A  55
ILE A 334
THR A 245
 None
 1.01A 4m2xC-2fvgA:
undetectable		 4m2xC-2fvgA:
18.77
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ASP A  48
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
 1.35A 4m2xC-2h2qA:
19.6		 4m2xC-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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ILE A  41
ASP A  48
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
None
None
 0.46A 4m2xC-2h2qA:
19.6		 4m2xC-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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  48
PRO A  85
LEU A  91
ILE A 154
TYR A 160
THR A 178
 None
 0.67A 4m2xC-2h2qA:
19.6		 4m2xC-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.
2i5h HYPOTHETICAL PROTEIN
AF1531

(Archaeoglobus
fulgidus) 		PF04919
(DUF655) 		5 ILE A 107
ARG A  86
LEU A 100
ILE A 104
TYR A 115
 None
 1.05A 4m2xC-2i5hA:
undetectable		 4m2xC-2i5hA:
19.25
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.
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 4m2xC-2ki7A:
undetectable		 4m2xC-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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
ASP A  32
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.59A 4m2xC-2oipA:
20.8		 4m2xC-2oipA:
17.22
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.
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 4m2xC-2vd9A:
undetectable		 4m2xC-2vd9A:
17.39
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 ILE A 179
LEU A  56
LEU A  49
ILE A 139
THR A 143
 None
 1.01A 4m2xC-2vsaA:
undetectable		 4m2xC-2vsaA:
10.49
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 ILE A 179
LEU A  56
LEU A  49
TYR A 131
THR A 143
 None
 1.01A 4m2xC-2vsaA:
undetectable		 4m2xC-2vsaA:
10.49
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) 		9 ALA A  11
ILE A  24
ASP A  31
LEU A  54
PRO A  55
LEU A  61
ILE A 102
TYR A 108
THR A 121
 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
VG9  A1168 ( 4.7A)
 0.34A 4m2xC-2w3wA:
10.4		 4m2xC-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) 		6 ILE A   5
ALA A   7
ASP A  27
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.43A 4m2xC-2w9sA:
8.3		 4m2xC-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.
2xsw 72 KDA INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 ILE A 421
LEU A 559
LEU A 510
ILE A 519
THR A 395
 None
 1.03A 4m2xC-2xswA:
undetectable		 4m2xC-2xswA:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
PRO A  50
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.73A 4m2xC-3dfrA:
22.1		 4m2xC-3dfrA:
34.29
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
ASP A  54
PRO A 113
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.51A 4m2xC-3dg8A:
19.3		 4m2xC-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.
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)
 1.03A 4m2xC-3fiuA:
undetectable		 4m2xC-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.
3g04 THYROTROPIN RECEPTOR

(Homo sapiens) 		PF13306
(LRR_5) 		5 ILE C 117
LEU C 144
LEU C 156
ILE C 158
THR C 111
 None
 0.98A 4m2xC-3g04C:
undetectable		 4m2xC-3g04C:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gn3 PUTATIVE
PROTEIN-DISULFIDE
ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13462
(Thioredoxin_4) 		5 ILE A  67
ARG A 145
GLN A  52
PRO A  55
ILE A  63
 None
 1.04A 4m2xC-3gn3A:
undetectable		 4m2xC-3gn3A:
26.47
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.
3h2u RAVER-1

(Homo sapiens) 		PF00076
(RRM_1) 		5 GLN B 147
LEU B 139
PRO B 140
LEU B 163
TYR B 180
 None
 1.06A 4m2xC-3h2uB:
undetectable		 4m2xC-3h2uB:
18.73
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.
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 4m2xC-3i04M:
undetectable		 4m2xC-3i04M:
13.24
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
ASP X  27
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
None
N22  X 219 (-4.4A)
 0.47A 4m2xC-3i8aX:
8.2		 4m2xC-3i8aX:
31.76
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 ILE A   6
ALA A   8
LEU A  55
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.43A 4m2xC-3ia4A:
8.7		 4m2xC-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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 ALA A 181
LEU A 167
LEU A  92
ILE A 109
THR A 221
 None
 1.03A 4m2xC-3jskA:
undetectable		 4m2xC-3jskA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.02A 4m2xC-3k2bA:
2.0		 4m2xC-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.
3kb6 D-LACTATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 230
LEU A 188
LEU A 192
ILE A 212
THR A 229
 NAD  A 400 (-4.6A)
None
None
None
NAD  A 400 (-4.9A)
 1.00A 4m2xC-3kb6A:
undetectable		 4m2xC-3kb6A:
17.70
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ILE A  29
ASP A  37
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
None
None
None
 0.46A 4m2xC-3kjrA:
19.9		 4m2xC-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.
3n3w RIBONUCLEASE III

(Campylobacter
jejuni) 		PF14622
(Ribonucleas_3_3) 		6 ILE A 122
ALA A 135
ILE A  83
LEU A  89
LEU A   7
ILE A 118
 None
 1.26A 4m2xC-3n3wA:
undetectable		 4m2xC-3n3wA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oja ANOPHELES
PLASMODIUM-RESPONSIV
E LEUCINE-RICH
REPEAT PROTEIN 1
LEUCINE-RICH IMMUNE
MOLECULE 1

(Anopheles
gambiae) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 ILE A 419
GLN A 414
LEU B 634
LEU A 412
ILE A 437
 None
 1.06A 4m2xC-3ojaA:
undetectable		 4m2xC-3ojaA:
15.26
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.
3qll CITRATE LYASE

(Yersinia pestis) 		PF03328
(HpcH_HpaI) 		5 ILE A  81
ALA A  79
LEU A  97
LEU A 111
ILE A  84
 None
 0.76A 4m2xC-3qllA:
undetectable		 4m2xC-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) 		6 ALA A  34
ASP A  54
LEU A  97
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 1.36A 4m2xC-3rg9A:
19.3		 4m2xC-3rg9A:
32.65
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) 		9 ALA A  34
ILE A  47
ASP A  54
LEU A  90
PRO A  91
LEU A  97
ILE A 160
TYR A 166
THR A 184
 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
WRA  A 602 (-4.2A)
 0.38A 4m2xC-3rg9A:
19.3		 4m2xC-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.
3t38 ARSENATE REDUCTASE

(Corynebacterium
glutamicum) 		PF01451
(LMWPc) 		5 ILE A 190
GLN A  96
LEU A 101
LEU A 131
ILE A 194
 None
 0.95A 4m2xC-3t38A:
undetectable		 4m2xC-3t38A:
22.48
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   6
ALA A   8
ASP A  28
LEU A  55
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.25A 4m2xC-3tq9A:
9.1		 4m2xC-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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
ASP A  54
PRO A 113
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.63A 4m2xC-3um6A:
19.1		 4m2xC-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) 		7 ALA A   8
ASP A  28
PRO A  58
LEU A  64
ILE A 111
TYR A 117
THR A 133
 None
 0.80A 4m2xC-3vcoA:
6.6		 4m2xC-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.
3vr5 V-TYPE SODIUM ATPASE
SUBUNIT B

(Enterococcus
hirae) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ILE D 246
ILE D 135
GLN D 163
LEU D 329
ILE D 303
 None
 0.92A 4m2xC-3vr5D:
undetectable		 4m2xC-3vr5D:
16.77
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.
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
 1.03A 4m2xC-4a4zA:
undetectable		 4m2xC-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.
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
 1.05A 4m2xC-4e09A:
4.2		 4m2xC-4e09A:
23.08
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) 		7 ILE X  10
ALA X  12
PRO X  66
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.52A 4m2xC-4g8zX:
20.0		 4m2xC-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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		6 ILE A   9
ALA A  11
LEU A  69
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.64A 4m2xC-4h96A:
16.9		 4m2xC-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
 0.52A 4m2xC-4h96A:
16.9		 4m2xC-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) 		7 ILE A   9
ALA A  11
PRO A  63
LEU A  69
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-4.4A)
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.48A 4m2xC-4h98A:
18.2		 4m2xC-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.
4izo PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Burkholderia
thailandensis) 		PF02222
(ATP-grasp) 		5 ILE A 120
ALA A 115
PRO A 102
LEU A 262
ILE A 252
 None
 1.01A 4m2xC-4izoA:
5.0		 4m2xC-4izoA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jb7 ACCESSORY
COLONIZATION FACTOR
ACFC

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		5 ALA A  82
LEU A  38
PRO A  37
LEU A 239
ILE A  73
 None
 0.87A 4m2xC-4jb7A:
undetectable		 4m2xC-4jb7A:
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.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C

(Streptococcus
mutans) 		no annotation 5 ILE A  83
GLN A 109
LEU A 201
LEU A 203
ILE A 102
 None
 1.01A 4m2xC-4l9aA:
undetectable		 4m2xC-4l9aA:
19.26
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.
4lct COP9 SIGNALOSOME
COMPLEX SUBUNIT 1

(Arabidopsis
thaliana) 		PF01399
(PCI)
PF10602
(RPN7) 		5 ILE A 175
GLN A 204
LEU A 217
LEU A 209
ILE A 176
 None
 1.02A 4m2xC-4lctA:
undetectable		 4m2xC-4lctA:
18.69
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) 		5 ALA A   7
ASP A  27
LEU A  42
LEU A  40
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
None
None
RAR  A 200 (-4.4A)
 0.95A 4m2xC-4m7vA:
22.0		 4m2xC-4m7vA:
34.64
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) 		5 ILE A   5
ALA A   7
ASP A  27
LEU A  55
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.39A 4m2xC-4m7vA:
22.0		 4m2xC-4m7vA:
34.64
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.98A 4m2xC-4nv0A:
undetectable		 4m2xC-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) 		6 ILE A   5
ALA A   7
ASP A  27
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.16A 4m2xC-4p68A:
23.1		 4m2xC-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.
4qhb UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		5 ILE A  71
ILE A  75
GLN A  37
LEU A  88
ILE A 208
 None
 1.06A 4m2xC-4qhbA:
undetectable		 4m2xC-4qhbA:
19.34
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.
4u02 AMINO ACID ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran) 		5 ILE A  36
LEU A  25
LEU A  33
ILE A  35
THR A 234
 None
 0.92A 4m2xC-4u02A:
undetectable		 4m2xC-4u02A:
23.24
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.
4v2e FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 3

(Mus musculus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ILE A 187
ILE A 145
LEU A 173
LEU A 180
ILE A 169
 None
 1.01A 4m2xC-4v2eA:
undetectable		 4m2xC-4v2eA:
16.92
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.
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 4m2xC-4xeqA:
undetectable		 4m2xC-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
 0.91A 4m2xC-4yc6A:
undetectable		 4m2xC-4yc6A:
21.71
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.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ILE B  41
ALA B  36
LEU B 193
LEU B 189
ILE B 138
 None
 0.95A 4m2xC-4zktB:
undetectable		 4m2xC-4zktB:
8.71
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.
5af3 VAPBC49

(Mycobacterium
tuberculosis) 		PF04255
(DUF433) 		5 ALA A 109
ILE A 162
LEU A 175
PRO A 176
ILE A  73
 None
 1.07A 4m2xC-5af3A:
undetectable		 4m2xC-5af3A:
22.98
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) 		6 ILE A   5
ALA A   7
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.50A 4m2xC-5dxvA:
13.7		 4m2xC-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.
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
 1.03A 4m2xC-5e1vB:
undetectable		 4m2xC-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.
5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
PF08996
(zf-DNA_Pol) 		5 ILE C 771
ALA C 953
GLN C 946
LEU C 764
ILE C 768
 None
 1.05A 4m2xC-5exrC:
undetectable		 4m2xC-5exrC:
9.31
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
LEU A  55
TYR A 101
THR A 114
 None
 0.64A 4m2xC-5fdaA:
7.7		 4m2xC-5fdaA:
34.86
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT ALPHA
T-COMPLEX PROTEIN 1
SUBUNIT DELTA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		6 ILE d  48
ILE d  35
LEU a  13
LEU a  15
ILE a 545
THR d  63
 None
 1.27A 4m2xC-5gw5d:
undetectable		 4m2xC-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.
5h71 ALGQ2

(Sphingomonas
sp.) 		PF01547
(SBP_bac_1) 		5 ILE A 184
LEU A 164
LEU A 160
ILE A 141
THR A 274
 None
 0.94A 4m2xC-5h71A:
undetectable		 4m2xC-5h71A:
13.65
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.
5hhl RETRON-TYPE REVERSE
TRANSCRIPTASE

([Eubacterium]
rectale) 		PF00078
(RVT_1) 		5 ILE A  10
ILE A 168
ARG A 172
LEU A 202
LEU A 198
 None
 1.03A 4m2xC-5hhlA:
undetectable		 4m2xC-5hhlA:
21.18
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.
5ijw GLUTAMATE RACEMASE

(Mycolicibacterium
smegmatis) 		PF01177
(Asp_Glu_race) 		5 ILE A  33
ALA A 238
LEU A 221
LEU A 217
ILE A   8
 None
 1.05A 4m2xC-5ijwA:
undetectable		 4m2xC-5ijwA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5it0 PHOSPHOSERINE
PHOSPHATASE

(Mycobacterium
avium) 		PF12710
(HAD)
PF13740
(ACT_6) 		5 ILE A 282
ASP A 187
LEU A 229
ILE A 198
THR A 191
 None
MG  A 501 (-2.6A)
None
None
None
 0.96A 4m2xC-5it0A:
2.3		 4m2xC-5it0A:
19.11
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.
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
 0.96A 4m2xC-5ixqA:
undetectable		 4m2xC-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.
5ltg AUTOPHAGY-RELATED
PROTEIN 18

(Ogataea angusta) 		no annotation 5 ILE A 205
LEU A 230
LEU A 237
ILE A 206
THR A 155
 None
 1.06A 4m2xC-5ltgA:
undetectable		 4m2xC-5ltgA:
15.94
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
ASP A  31
PRO A  88
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-4.0A)
None
None
73X  A 704 (-4.2A)
 0.46A 4m2xC-5t0lA:
8.6		 4m2xC-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
ILE A 169
LEU A 132
PRO A 131
ILE A 187
 None
 1.19A 4m2xC-5uf2A:
undetectable		 4m2xC-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.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ILE D 957
ALA D 902
ILE D 916
LEU D 944
LEU D 925
 None
 1.04A 4m2xC-5uheD:
undetectable		 4m2xC-5uheD:
8.23
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.
5uqz GLUCAN-BINDING
PROTEIN C, GBPC

(Streptococcus
mutans) 		no annotation 5 ILE A 262
ILE A 190
ASP A 298
LEU A 187
ILE A 272
 None
 1.07A 4m2xC-5uqzA:
undetectable		 4m2xC-5uqzA:
15.92
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.
5wnm RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 4

(Mus musculus) 		no annotation 5 ILE A 211
ARG A 264
GLN A 263
LEU A 258
LEU A 217
 None
 0.97A 4m2xC-5wnmA:
undetectable		 4m2xC-5wnmA:
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.
5wq8 TYPE II SECRETION
SYSTEM PROTEIN D

(Vibrio cholerae) 		PF00263
(Secretin)
PF03958
(Secretin_N) 		5 ALA A 175
ILE A 183
GLN A 231
LEU A 225
ILE A 213
 None
 0.96A 4m2xC-5wq8A:
undetectable		 4m2xC-5wq8A:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bhu MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		no annotation 5 ILE A1467
ALA A1405
LEU A1450
LEU A1452
ILE A1471
 None
 0.94A 4m2xC-6bhuA:
undetectable		 4m2xC-6bhuA:
0.00
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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 5 ILE A  95
LEU A 129
LEU A 105
ILE A  32
TYR A 141
 None
 1.06A 4m2xC-6c29A:
undetectable		 4m2xC-6c29A:
20.00
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 7 ILE A   6
ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.24A 4m2xC-6cxmA:
9.1		 4m2xC-6cxmA:
47.71
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 10 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
THR A 111
 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
MMV  A 202 (-4.4A)
 0.41A 4m2xC-6cxmA:
9.1		 4m2xC-6cxmA:
47.71