SIMILAR PATTERNS OF AMINO ACIDS FOR 1MJ2_C_SAMC2199

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.
1akm ORNITHINE
TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A 180
GLU A 174
LEU A 197
GLU A 200
LEU A 204
 None
 1.25A 1mj2C-1akmA:
undetectable
1mj2D-1akmA:
undetectable		 1mj2C-1akmA:
15.02
1mj2D-1akmA:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 HIS A 407
ALA A 405
GLU A 351
ARG A 355
HIS A 402
 None
 1.12A 1mj2C-1b25A:
undetectable
1mj2D-1b25A:
undetectable		 1mj2C-1b25A:
11.31
1mj2D-1b25A:
11.31
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.
1brw PROTEIN (PYRIMIDINE
NUCLEOSIDE
PHOSPHORYLASE)

(Geobacillus
stearothermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLU A 297
ARG A 293
LEU A 273
GLU A 270
HIS A 266
 None
 0.79A 1mj2C-1brwA:
undetectable
1mj2D-1brwA:
undetectable		 1mj2C-1brwA:
15.40
1mj2D-1brwA:
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.
1dgs DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 GLY A  65
ARG A  18
ARG A  14
LEU A  44
GLU A  48
 None
 1.26A 1mj2C-1dgsA:
undetectable
1mj2D-1dgsA:
undetectable		 1mj2C-1dgsA:
10.53
1mj2D-1dgsA:
10.53
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.
1ems NIT-FRAGILE
HISTIDINE TRIAD
FUSION PROTEIN

(Caenorhabditis
elegans) 		PF00795
(CN_hydrolase)
PF01230
(HIT) 		5 ALA A 352
PHE A 355
LEU A 346
GLU A 350
HIS A 288
 None
 1.27A 1mj2C-1emsA:
undetectable
1mj2D-1emsA:
undetectable		 1mj2C-1emsA:
12.44
1mj2D-1emsA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 HIS A 118
GLY A 120
LEU A  97
HIS A  44
PRO A  72
 CU  A 502 (-3.1A)
None
None
CU  A 502 (-3.3A)
None
 1.20A 1mj2C-1eqwA:
undetectable
1mj2D-1eqwA:
undetectable		 1mj2C-1eqwA:
20.41
1mj2D-1eqwA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 HIS A 118
GLY A 138
LEU A  97
HIS A  44
PRO A  72
 CU  A 502 (-3.1A)
None
None
CU  A 502 (-3.3A)
None
 1.29A 1mj2C-1eqwA:
undetectable
1mj2D-1eqwA:
undetectable		 1mj2C-1eqwA:
20.41
1mj2D-1eqwA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 HIS A 118
GLY A 138
GLU A  40
HIS A  44
PRO A  83
 CU  A 150 ( 3.2A)
None
None
CU  A 150 ( 3.2A)
None
 1.10A 1mj2C-1esoA:
undetectable
1mj2D-1esoA:
undetectable		 1mj2C-1esoA:
21.62
1mj2D-1esoA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fp9 4-ALPHA-GLUCANOTRANS
FERASE

(Thermus
thermophilus) 		PF02446
(Glyco_hydro_77) 		5 ALA A 111
PHE A 115
GLY A 114
LEU A  77
PRO A  76
 None
 1.28A 1mj2C-1fp9A:
undetectable
1mj2D-1fp9A:
undetectable		 1mj2C-1fp9A:
11.18
1mj2D-1fp9A:
11.18
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.
1ge7 PEPTIDYL-LYS
METALLOENDOPEPTIDASE

(Grifola
frondosa) 		PF14521
(Aspzincin_M35) 		5 HIS A  59
GLY A 126
GLU A 118
GLU A 157
HIS A 156
 None
None
ZN  A 200 ( 4.2A)
None
None
 1.10A 1mj2C-1ge7A:
undetectable
1mj2D-1ge7A:
undetectable		 1mj2C-1ge7A:
20.00
1mj2D-1ge7A:
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ALA A 124
GLY A 122
ARG A 433
GLU A 152
LEU A 500
 None
 1.22A 1mj2C-1h0hA:
undetectable
1mj2D-1h0hA:
undetectable		 1mj2C-1h0hA:
8.30
1mj2D-1h0hA:
8.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l9g CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF03167
(UDG) 		5 HIS A 107
ALA A 104
GLY A 106
GLU A 100
PRO A  22
 None
SF4  A 201 ( 4.2A)
None
None
None
 0.90A 1mj2C-1l9gA:
undetectable
1mj2D-1l9gA:
undetectable		 1mj2C-1l9gA:
17.59
1mj2D-1l9gA:
17.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjl METHIONINE REPRESSOR
PROTEIN METJ

(Escherichia
coli) 		PF01340
(MetJ) 		6 ALA A  60
GLU A  39
ARG A  42
ARG A  43
LEU A  70
PRO A  71
 None
 1.22A 1mj2C-1mjlA:
13.7
1mj2D-1mjlA:
15.5		 1mj2C-1mjlA:
100.00
1mj2D-1mjlA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjl METHIONINE REPRESSOR
PROTEIN METJ

(Escherichia
coli) 		PF01340
(MetJ) 		8 GLU A  39
ARG A  42
ARG A  43
LEU A  56
GLU A  59
HIS A  63
LEU A  70
PRO A  71
 None
None
None
None
None
SAM  A 200 ( 2.9A)
None
None
 0.31A 1mj2C-1mjlA:
13.7
1mj2D-1mjlA:
15.5		 1mj2C-1mjlA:
100.00
1mj2D-1mjlA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ALA A 313
PHE A 311
GLY A 315
LEU A 245
HIS A 251
 None
 1.28A 1mj2C-1npcA:
undetectable
1mj2D-1npcA:
undetectable		 1mj2C-1npcA:
15.30
1mj2D-1npcA:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oal SUPEROXIDE DISMUTASE

(Photobacterium
leiognathi) 		PF00080
(Sod_Cu) 		5 HIS A 125
GLY A 141
GLU A  41
HIS A  45
PRO A  93
 CU  A 153 (-3.2A)
None
None
CU  A 153 (-3.0A)
None
 1.29A 1mj2C-1oalA:
undetectable
1mj2D-1oalA:
undetectable		 1mj2C-1oalA:
24.83
1mj2D-1oalA:
24.83
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.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A1176
GLY A1180
ARG A1367
LEU A1170
GLU A1068
 None
None
PO4  A1603 (-3.2A)
None
None
 1.23A 1mj2C-1p0cA:
undetectable
1mj2D-1p0cA:
undetectable		 1mj2C-1p0cA:
12.87
1mj2D-1p0cA:
12.87
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.
1pko MYELIN
OLIGODENDROCYTE
GLYCOPROTEIN

(Rattus
norvegicus) 		PF07686
(V-set) 		5 GLU A  36
ARG A 101
ARG A  52
LEU A  50
GLU A  60
 None
 1.22A 1mj2C-1pkoA:
undetectable
1mj2D-1pkoA:
undetectable		 1mj2C-1pkoA:
23.40
1mj2D-1pkoA:
23.40
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 597
GLY A 552
GLU A 595
LEU A 656
GLU A 653
 None
 1.17A 1mj2C-1v7vA:
undetectable
1mj2D-1v7vA:
undetectable		 1mj2C-1v7vA:
10.79
1mj2D-1v7vA:
10.79
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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		5 ALA B 279
GLY B 282
GLU B 290
LEU B 288
PRO B 377
 None
 1.28A 1mj2C-1vraB:
undetectable
1mj2D-1vraB:
undetectable		 1mj2C-1vraB:
20.00
1mj2D-1vraB:
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 PHE A 585
GLY A 575
GLU A 578
ARG A 639
GLU A 532
 None
 1.17A 1mj2C-1w6jA:
undetectable
1mj2D-1w6jA:
undetectable		 1mj2C-1w6jA:
11.39
1mj2D-1w6jA:
11.39
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.
1yc9 MULTIDRUG RESISTANCE
PROTEIN

(Vibrio cholerae) 		PF02321
(OEP) 		5 ALA A 101
GLY A 103
GLU A 170
ARG A 310
GLU A 177
 None
 1.09A 1mj2C-1yc9A:
undetectable
1mj2D-1yc9A:
undetectable		 1mj2C-1yc9A:
13.62
1mj2D-1yc9A:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9p SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		5 HIS A  72
ALA A  92
GLY A  94
GLU A  78
PRO A  79
 CU  A 200 (-3.2A)
None
None
None
None
 1.28A 1mj2C-1z9pA:
undetectable
1mj2D-1z9pA:
undetectable		 1mj2C-1z9pA:
19.08
1mj2D-1z9pA:
19.08
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.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 HIS A  70
ALA A 149
GLY A 157
GLU A 152
LEU A  98
 None
None
None
ZN  A 501 (-2.0A)
None
 1.25A 1mj2C-2anpA:
undetectable
1mj2D-2anpA:
undetectable		 1mj2C-2anpA:
13.99
1mj2D-2anpA:
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.
2aqt SUPEROXIDE DISMUTASE
[CU-ZN]

(Neisseria
meningitidis) 		no annotation 5 HIS C  81
ALA C 101
GLY C 103
GLU C  87
PRO C  88
 CU1  C 200 (-3.3A)
None
None
None
None
 1.28A 1mj2C-2aqtC:
undetectable
1mj2D-2aqtC:
undetectable		 1mj2C-2aqtC:
20.00
1mj2D-2aqtC:
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ALA A 784
PHE A 788
GLY A 786
LEU A 808
PRO A 815
 None
 1.18A 1mj2C-2b3xA:
undetectable
1mj2D-2b3xA:
undetectable		 1mj2C-2b3xA:
7.63
1mj2D-2b3xA:
7.63
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.
2cwd LOW MOLECULAR WEIGHT
PHOSPHOTYROSINE
PROTEIN PHOSPHATASE

(Thermus
thermophilus) 		PF01451
(LMWPc) 		5 ALA A  21
PHE A  25
GLY A  23
LEU A  88
LEU A 139
 None
 0.97A 1mj2C-2cwdA:
undetectable
1mj2D-2cwdA:
undetectable		 1mj2C-2cwdA:
18.75
1mj2D-2cwdA:
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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		5 HIS A 264
ALA A 263
GLY A 258
LEU A  76
HIS A 280
 None
 1.14A 1mj2C-2cy7A:
undetectable
1mj2D-2cy7A:
undetectable		 1mj2C-2cy7A:
13.05
1mj2D-2cy7A:
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.
2ejw HOMOSERINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ALA A   7
GLY A  40
GLU A  72
LEU A  94
LEU A  64
 None
 1.25A 1mj2C-2ejwA:
undetectable
1mj2D-2ejwA:
undetectable		 1mj2C-2ejwA:
14.15
1mj2D-2ejwA:
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.
2fbq PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N) 		5 ALA A  99
GLU A  71
ARG A  74
ARG A  75
LEU A  92
 None
 1.24A 1mj2C-2fbqA:
undetectable
1mj2D-2fbqA:
undetectable		 1mj2C-2fbqA:
20.28
1mj2D-2fbqA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ghs AGR_C_1268P

(Agrobacterium
fabrum) 		PF08450
(SGL) 		5 GLY A 237
GLU A 281
LEU A  37
HIS A 294
LEU A 283
 None
 1.25A 1mj2C-2ghsA:
undetectable
1mj2D-2ghsA:
undetectable		 1mj2C-2ghsA:
16.13
1mj2D-2ghsA:
16.13
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.
2ghs AGR_C_1268P

(Agrobacterium
fabrum) 		PF08450
(SGL) 		5 HIS A 294
GLY A 258
GLU A  40
LEU A  38
GLU A 281
 None
None
EDO  A 317 (-3.9A)
None
None
 1.02A 1mj2C-2ghsA:
undetectable
1mj2D-2ghsA:
undetectable		 1mj2C-2ghsA:
16.13
1mj2D-2ghsA:
16.13
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.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 GLY A 322
ARG A  29
LEU A 357
HIS A 344
LEU A 349
 FMN  A4401 (-3.4A)
None
None
None
FMN  A4401 ( 3.8A)
 0.97A 1mj2C-2gouA:
undetectable
1mj2D-2gouA:
undetectable		 1mj2C-2gouA:
14.25
1mj2D-2gouA:
14.25
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.
2gz3 ASPARTATE
BETA-SEMIALDEHYDE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A 202
GLU A 167
ARG A 170
GLU A 174
LEU A 185
 None
 1.24A 1mj2C-2gz3A:
undetectable
1mj2D-2gz3A:
undetectable		 1mj2C-2gz3A:
14.66
1mj2D-2gz3A:
14.66
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.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii) 		PF13419
(HAD_2) 		5 ALA A  83
GLU A  88
ARG A  91
LEU A  59
GLU A  62
 None
 0.85A 1mj2C-2hi0A:
undetectable
1mj2D-2hi0A:
undetectable		 1mj2C-2hi0A:
17.98
1mj2D-2hi0A:
17.98
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.
2k77 NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF02861
(Clp_N) 		5 GLY A 143
ARG A 135
GLU A  94
HIS A 100
LEU A  98
 None
 1.13A 1mj2C-2k77A:
undetectable
1mj2D-2k77A:
undetectable		 1mj2C-2k77A:
19.12
1mj2D-2k77A:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 ALA A  30
GLY A  53
GLU A  45
LEU A  19
LEU A  10
 None
 1.21A 1mj2C-2p4qA:
undetectable
1mj2D-2p4qA:
undetectable		 1mj2C-2p4qA:
12.32
1mj2D-2p4qA:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 525
GLY A 529
ARG A 501
GLU A 521
HIS A 524
 None
None
SO4  A2003 ( 3.3A)
None
None
 1.22A 1mj2C-2q27A:
undetectable
1mj2D-2q27A:
undetectable		 1mj2C-2q27A:
10.17
1mj2D-2q27A:
10.17
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.
2qzj TWO-COMPONENT
RESPONSE REGULATOR

(Clostridioides
difficile) 		PF00072
(Response_reg) 		5 ALA A  40
GLY A  42
ARG A  71
LEU A  54
LEU A   8
 None
 1.08A 1mj2C-2qzjA:
undetectable
1mj2D-2qzjA:
undetectable		 1mj2C-2qzjA:
20.74
1mj2D-2qzjA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus;
Staphylococcus
haemolyticus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 ALA B 473
GLY B 477
GLU B 471
ARG B 459
GLU A 258
 None
 1.25A 1mj2C-2rhqB:
undetectable
1mj2D-2rhqB:
undetectable		 1mj2C-2rhqB:
10.60
1mj2D-2rhqB:
10.60
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.
2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Schistosoma
mansoni) 		PF00462
(Glutaredoxin)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 178
PHE A 181
GLY A 182
ARG A 515
GLU A 176
 None
 1.28A 1mj2C-2v6oA:
undetectable
1mj2D-2v6oA:
undetectable		 1mj2C-2v6oA:
11.65
1mj2D-2v6oA:
11.65
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.
2x1i 4-ALPHA-GLUCANOTRANS
FERASE

(Thermus
brockianus) 		PF02446
(Glyco_hydro_77) 		5 ALA A 111
PHE A 115
GLY A 114
LEU A  77
PRO A  76
 None
 1.27A 1mj2C-2x1iA:
undetectable
1mj2D-2x1iA:
undetectable		 1mj2C-2x1iA:
11.45
1mj2D-2x1iA:
11.45
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.
2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 GLU A  65
ARG A  68
ARG A  69
LEU A 111
GLU A 114
 None
 1.19A 1mj2C-2x3nA:
undetectable
1mj2D-2x3nA:
undetectable		 1mj2C-2x3nA:
14.03
1mj2D-2x3nA:
14.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yp2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 PHE A  87
GLY A 116
GLU A  89
ARG A 269
GLU A 396
 None
 1.24A 1mj2C-2yp2A:
undetectable
1mj2D-2yp2A:
undetectable		 1mj2C-2yp2A:
11.02
1mj2D-2yp2A:
11.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		5 ALA A  37
GLY A  35
HIS A  29
LEU A 132
PRO A 114
 None
 1.00A 1mj2C-2zf8A:
undetectable
1mj2D-2zf8A:
undetectable		 1mj2C-2zf8A:
18.57
1mj2D-2zf8A:
18.57
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ALA A  49
GLU A 163
ARG A 166
ARG A 167
GLU A 157
 None
 1.24A 1mj2C-3bo5A:
undetectable
1mj2D-3bo5A:
undetectable		 1mj2C-3bo5A:
14.08
1mj2D-3bo5A:
14.08
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLU A 163
ARG A 166
ARG A 167
LEU A 159
GLU A 157
 None
 0.93A 1mj2C-3bo5A:
undetectable
1mj2D-3bo5A:
undetectable		 1mj2C-3bo5A:
14.08
1mj2D-3bo5A:
14.08
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ALA A  87
PHE A  88
GLY A  90
LEU A  81
PRO A  72
 None
 1.00A 1mj2C-3c4qA:
undetectable
1mj2D-3c4qA:
undetectable		 1mj2C-3c4qA:
13.37
1mj2D-3c4qA:
13.37
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.
3cpg UNCHARACTERIZED
PROTEIN

(Bifidobacterium
adolescentis) 		PF01168
(Ala_racemase_N) 		5 ALA A 255
GLY A 257
GLU A 251
ARG A  35
GLU A 211
 None
 1.29A 1mj2C-3cpgA:
undetectable
1mj2D-3cpgA:
undetectable		 1mj2C-3cpgA:
20.65
1mj2D-3cpgA:
20.65
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 HIS A 123
PHE A 136
GLU A  56
HIS A  40
PRO A  13
 FE  A 310 (-3.3A)
None
None
ZN  A 301 (-3.5A)
None
 0.93A 1mj2C-3dcpA:
undetectable
1mj2D-3dcpA:
undetectable		 1mj2C-3dcpA:
16.86
1mj2D-3dcpA:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 151
PHE A 149
GLY A 153
LEU A 189
PRO A 249
 None
 1.14A 1mj2C-3e9yA:
undetectable
1mj2D-3e9yA:
undetectable		 1mj2C-3e9yA:
11.40
1mj2D-3e9yA:
11.40
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.
3eof PUTATIVE
OXIDOREDUCTASE

(Bacteroides
fragilis) 		PF00881
(Nitroreductase) 		5 ALA A 120
GLY A 124
ARG A  49
LEU A  74
LEU A  27
 None
 1.20A 1mj2C-3eofA:
undetectable
1mj2D-3eofA:
undetectable		 1mj2C-3eofA:
16.87
1mj2D-3eofA:
16.87
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.
3fdh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 ALA A  58
GLY A  60
ARG A 460
ARG A 229
LEU A 143
 None
 1.08A 1mj2C-3fdhA:
undetectable
1mj2D-3fdhA:
undetectable		 1mj2C-3fdhA:
12.14
1mj2D-3fdhA:
12.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpk FERREDOXIN-NADP
REDUCTASE

(Salmonella
enterica) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ALA A 143
PHE A 145
GLU A 175
HIS A 141
LEU A 149
 None
 1.23A 1mj2C-3fpkA:
undetectable
1mj2D-3fpkA:
undetectable		 1mj2C-3fpkA:
15.94
1mj2D-3fpkA:
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.
3gfm 146AA LONG
HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR

(Sulfurisphaera
tokodaii) 		PF13463
(HTH_27) 		5 GLU A  25
ARG A  28
ARG A  29
LEU A 114
GLU A 117
 None
 1.00A 1mj2C-3gfmA:
undetectable
1mj2D-3gfmA:
undetectable		 1mj2C-3gfmA:
20.27
1mj2D-3gfmA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA A 157
GLY A 238
ARG A 233
LEU A 163
LEU A 319
 None
 1.16A 1mj2C-3h1lA:
undetectable
1mj2D-3h1lA:
undetectable		 1mj2C-3h1lA:
14.29
1mj2D-3h1lA:
14.29
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.
3hww 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Escherichia
coli) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 HIS A 154
ALA A 155
GLY A 157
HIS A 132
PRO A 130
 None
None
NA  A 559 (-3.5A)
NA  A 566 (-4.9A)
None
 1.28A 1mj2C-3hwwA:
undetectable
1mj2D-3hwwA:
undetectable		 1mj2C-3hwwA:
11.01
1mj2D-3hwwA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 ALA A  80
GLU A  59
ARG A 301
ARG A 297
LEU A  55
 None
 1.25A 1mj2C-3kaoA:
undetectable
1mj2D-3kaoA:
undetectable		 1mj2C-3kaoA:
18.69
1mj2D-3kaoA:
18.69
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		5 GLY A 355
GLU A 328
ARG A 331
ARG A 332
LEU A 349
 None
 0.90A 1mj2C-3lopA:
undetectable
1mj2D-3lopA:
undetectable		 1mj2C-3lopA:
15.58
1mj2D-3lopA:
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.
3n0r RESPONSE REGULATOR

(Caulobacter
vibrioides) 		PF00072
(Response_reg) 		5 ALA A 250
PHE A 236
GLY A 252
LEU A 237
LEU A 105
 None
 1.09A 1mj2C-3n0rA:
undetectable
1mj2D-3n0rA:
undetectable		 1mj2C-3n0rA:
15.17
1mj2D-3n0rA:
15.17
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.
3rmu METHYLMALONYL-COA
EPIMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF13669
(Glyoxalase_4) 		5 ALA A 153
GLY A 155
HIS A  82
LEU A  79
PRO A  78
 None
 1.29A 1mj2C-3rmuA:
undetectable
1mj2D-3rmuA:
undetectable		 1mj2C-3rmuA:
21.28
1mj2D-3rmuA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6p BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00619
(CARD)
PF00653
(BIR)
PF13920
(zf-C3HC4_3) 		5 GLU A 560
ARG A 563
ARG A 564
LEU A 556
GLU A 551
 None
 0.99A 1mj2C-3t6pA:
undetectable
1mj2D-3t6pA:
undetectable		 1mj2C-3t6pA:
14.58
1mj2D-3t6pA:
14.58
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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ALA A  29
GLY A  32
ARG A  22
LEU A  48
GLU A  51
 None
 1.28A 1mj2C-3toxA:
undetectable
1mj2D-3toxA:
undetectable		 1mj2C-3toxA:
15.36
1mj2D-3toxA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 ALA A  25
GLY A  39
LEU A  16
GLU A  19
LEU A  23
 None
 1.15A 1mj2C-3v8vA:
undetectable
1mj2D-3v8vA:
undetectable		 1mj2C-3v8vA:
13.17
1mj2D-3v8vA:
13.17
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.
3w53 BETA-GLUCOSIDASE

(Micrococcus
antarcticus) 		PF00232
(Glyco_hydro_1) 		5 ALA A 208
GLY A 206
GLU A 214
LEU A 215
GLU A 152
 None
 1.25A 1mj2C-3w53A:
undetectable
1mj2D-3w53A:
undetectable		 1mj2C-3w53A:
12.69
1mj2D-3w53A:
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.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		6 ALA A 113
PHE A  87
GLY A 116
GLU A  89
ARG A 269
GLU A 396
 None
 1.36A 1mj2C-3wheA:
undetectable
1mj2D-3wheA:
undetectable		 1mj2C-3wheA:
12.03
1mj2D-3wheA:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY C 353
GLU C 375
ARG C 378
ARG C 379
LEU C 323
 None
None
SO4  C1411 (-3.7A)
None
None
 0.90A 1mj2C-4b3iC:
undetectable
1mj2D-4b3iC:
undetectable		 1mj2C-4b3iC:
17.70
1mj2D-4b3iC:
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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 346
GLU A 368
ARG A 371
ARG A 372
LEU A 316
 None
None
DTT  A1400 (-3.1A)
DTT  A1400 (-3.6A)
None
 1.06A 1mj2C-4c2kA:
undetectable
1mj2D-4c2kA:
undetectable		 1mj2C-4c2kA:
13.79
1mj2D-4c2kA:
13.79
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.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 HIS A   7
GLU A 168
ARG A 365
LEU A 149
GLU A  54
 None
 1.26A 1mj2C-4d4gA:
undetectable
1mj2D-4d4gA:
undetectable		 1mj2C-4d4gA:
12.07
1mj2D-4d4gA:
12.07
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.
4egs RIBOSE 5-PHOSPHATE
ISOMERASE RPIB

(Caldanaerobacter
subterraneus) 		PF01451
(LMWPc) 		5 ALA A  17
PHE A  21
GLY A  19
LEU A  83
LEU A 135
 ALA  A  17 ( 0.0A)
PHE  A  21 ( 1.3A)
GLY  A  19 ( 0.0A)
LEU  A  83 ( 0.6A)
LEU  A 135 ( 0.6A)
 1.10A 1mj2C-4egsA:
undetectable
1mj2D-4egsA:
undetectable		 1mj2C-4egsA:
21.20
1mj2D-4egsA:
21.20
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.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 ALA A  47
GLU A  36
ARG A 101
ARG A  52
GLU A  60
 None
 1.03A 1mj2C-4hh8A:
undetectable
1mj2D-4hh8A:
undetectable		 1mj2C-4hh8A:
18.26
1mj2D-4hh8A:
18.26
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.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 GLU A  36
ARG A 101
ARG A  52
LEU A  50
GLU A  60
 None
 1.21A 1mj2C-4hh8A:
undetectable
1mj2D-4hh8A:
undetectable		 1mj2C-4hh8A:
18.26
1mj2D-4hh8A:
18.26
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.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 PHE A  99
GLU A  36
ARG A  52
LEU A  50
GLU A  60
 None
 1.17A 1mj2C-4hh8A:
undetectable
1mj2D-4hh8A:
undetectable		 1mj2C-4hh8A:
18.26
1mj2D-4hh8A:
18.26
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		5 HIS A  86
GLU A  82
ARG A  81
LEU A 217
HIS A 206
 None
MPD  A 604 (-3.2A)
MPD  A 605 ( 4.1A)
MPD  A 604 (-4.6A)
None
 1.09A 1mj2C-4ia5A:
undetectable
1mj2D-4ia5A:
undetectable		 1mj2C-4ia5A:
11.84
1mj2D-4ia5A:
11.84
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.
4mbg CAAX
FARNESYLTRANSFERASE
ALPHA SUBUNIT RAM2
CAAX
FARNESYLTRANSFERASE
BETA SUBUNIT RAM1

(Aspergillus
fumigatus;
Aspergillus
fumigatus) 		PF01239
(PPTA)
PF00432
(Prenyltrans) 		5 ALA B 158
GLY B 161
ARG B 175
LEU A  30
GLU B 138
 None
 1.03A 1mj2C-4mbgB:
undetectable
1mj2D-4mbgB:
undetectable		 1mj2C-4mbgB:
13.00
1mj2D-4mbgB:
13.00
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.
4p7w L-PROLINE
CIS-4-HYDROXYLASE

(Mesorhizobium
japonicum) 		PF05118
(Asp_Arg_Hydrox)
PF05373
(Pro_3_hydrox_C) 		5 GLU A 247
ARG A 250
ARG A 251
LEU A 209
GLU A 206
 None
 0.79A 1mj2C-4p7wA:
undetectable
1mj2D-4p7wA:
undetectable		 1mj2C-4p7wA:
19.52
1mj2D-4p7wA:
19.52
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 ALA A  92
PHE A  94
GLY A  96
ARG A 217
LEU A 210
 None
 1.07A 1mj2C-4q2cA:
undetectable
1mj2D-4q2cA:
undetectable		 1mj2C-4q2cA:
8.82
1mj2D-4q2cA:
8.82
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 HIS A  98
ALA A  95
PHE A  94
GLY A  97
LEU A 229
 NI  A1001 (-3.4A)
None
None
None
None
 1.27A 1mj2C-4q2cA:
undetectable
1mj2D-4q2cA:
undetectable		 1mj2C-4q2cA:
8.82
1mj2D-4q2cA:
8.82
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.
4ruw ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Beutenbergia
cavernae) 		PF03372
(Exo_endo_phos) 		5 HIS A 104
GLY A 105
HIS A 134
LEU A 139
PRO A 140
 ZN  A 501 (-3.1A)
None
ZN  A 501 (-3.2A)
None
None
 1.27A 1mj2C-4ruwA:
undetectable
1mj2D-4ruwA:
undetectable		 1mj2C-4ruwA:
11.71
1mj2D-4ruwA:
11.71
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 HIS A 622
GLY A 675
LEU A 615
GLU A 618
LEU A 682
 None
 1.19A 1mj2C-4z7gA:
undetectable
1mj2D-4z7gA:
undetectable		 1mj2C-4z7gA:
12.11
1mj2D-4z7gA:
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.
5dmr REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H P80

(Murine leukemia
virus) 		PF00075
(RNase_H) 		5 ALA A 538
GLY A 525
GLU A 616
LEU A 552
PRO A 553
 None
 1.14A 1mj2C-5dmrA:
undetectable
1mj2D-5dmrA:
undetectable		 1mj2C-5dmrA:
21.26
1mj2D-5dmrA:
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF03170
(BcsB) 		5 ALA B 365
GLY B 363
ARG B 334
LEU B 368
PRO B 369
 None
 1.07A 1mj2C-5ej1B:
undetectable
1mj2D-5ej1B:
undetectable		 1mj2C-5ej1B:
10.26
1mj2D-5ej1B:
10.26
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.
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 2

(Homo sapiens;
Homo sapiens) 		PF04054
(Not1)
PF04153
(NOT2_3_5) 		5 PHE B 355
GLY B 356
GLU A2261
ARG A2209
LEU A2265
 None
 1.18A 1mj2C-5fu7B:
undetectable
1mj2D-5fu7B:
undetectable		 1mj2C-5fu7B:
17.75
1mj2D-5fu7B:
17.75
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.
5gui CHAPERONE PROTEIN
CLPC1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		5 GLY A 197
ARG A 228
ARG A 207
LEU A 183
GLU A 186
 PO4  A 301 (-3.6A)
None
None
None
None
 1.24A 1mj2C-5guiA:
undetectable
1mj2D-5guiA:
undetectable		 1mj2C-5guiA:
24.50
1mj2D-5guiA:
24.50
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.
5itg SORBITOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 ALA A 438
GLU A 427
GLU A 434
LEU A 449
PRO A 450
 None
 1.20A 1mj2C-5itgA:
undetectable
1mj2D-5itgA:
undetectable		 1mj2C-5itgA:
13.95
1mj2D-5itgA:
13.95
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.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		5 ALA A 795
GLY A 791
GLU A 800
LEU A 843
LEU A 809
 None
NAP  A1201 (-3.8A)
None
None
None
 1.29A 1mj2C-5msoA:
undetectable
1mj2D-5msoA:
undetectable		 1mj2C-5msoA:
6.72
1mj2D-5msoA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		5 ALA A 195
GLY A 197
GLU A 890
ARG A1276
LEU A 875
 None
 1.09A 1mj2C-5n8oA:
undetectable
1mj2D-5n8oA:
undetectable		 1mj2C-5n8oA:
4.55
1mj2D-5n8oA:
4.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0t PUTATIVE FERRIC
REDUCTASE

(Cylindrospermum
stagnale) 		PF01794
(Ferric_reduct) 		5 HIS A 313
ALA A 255
GLY A 259
LEU A 250
HIS A 317
 HEM  A 505 (-3.2A)
None
HEM  A 505 (-3.2A)
None
HEM  A 505 (-3.5A)
 1.00A 1mj2C-5o0tA:
undetectable
1mj2D-5o0tA:
undetectable		 1mj2C-5o0tA:
19.31
1mj2D-5o0tA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oie -

(-) 		no annotation 5 GLY A 220
LEU A 229
GLU A 230
LEU A 199
PRO A 200
 None
 0.92A 1mj2C-5oieA:
undetectable
1mj2D-5oieA:
undetectable		 1mj2C-5oieA:
undetectable
1mj2D-5oieA:
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY B 299
GLU B 206
ARG B 210
LEU B 163
GLU B 166
 None
 1.21A 1mj2C-5op0B:
undetectable
1mj2D-5op0B:
undetectable		 1mj2C-5op0B:
17.30
1mj2D-5op0B:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ov6 PORPHOBILINOGEN
DEAMINASE

(Bacillus
megaterium) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		5 ALA A 164
GLY A 124
GLU A 112
LEU A 117
PRO A 118
 None
 1.14A 1mj2C-5ov6A:
undetectable
1mj2D-5ov6A:
undetectable		 1mj2C-5ov6A:
16.50
1mj2D-5ov6A:
16.50
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.
5uuo GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Novosphingobium
aromaticivorans) 		no annotation 5 ALA B 130
PHE B 136
GLY B 134
GLU B  68
LEU B 214
 None
 1.16A 1mj2C-5uuoB:
undetectable
1mj2D-5uuoB:
undetectable		 1mj2C-5uuoB:
undetectable
1mj2D-5uuoB:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 GLY A1067
GLU A 963
ARG A 873
ARG A 882
LEU A 960
 None
 1.16A 1mj2C-5ux5A:
undetectable
1mj2D-5ux5A:
undetectable		 1mj2C-5ux5A:
7.23
1mj2D-5ux5A:
7.23
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		5 PHE A 363
GLU A 384
ARG A 356
HIS A 442
PRO A 243
 None
UDP  A 501 (-2.8A)
None
None
FMT  A 509 ( 4.6A)
 1.29A 1mj2C-5v0tA:
undetectable
1mj2D-5v0tA:
undetectable		 1mj2C-5v0tA:
11.56
1mj2D-5v0tA:
11.56
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.
5wyp DNA POLYMERASE III
SUBUNIT BETA

(Caulobacter
vibrioides) 		no annotation 5 HIS A 162
GLY A 198
LEU A 136
LEU A 172
PRO A 190
 None
 1.28A 1mj2C-5wypA:
undetectable
1mj2D-5wypA:
undetectable		 1mj2C-5wypA:
undetectable
1mj2D-5wypA:
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.
5xag TUBULIN TYROSINE
LIGASE

(Gallus gallus) 		no annotation 5 HIS F  54
PHE F  49
GLY F  50
HIS F 308
LEU F 307
 None
 1.28A 1mj2C-5xagF:
undetectable
1mj2D-5xagF:
undetectable		 1mj2C-5xagF:
undetectable
1mj2D-5xagF:
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.
5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S)
PF10588
(NADH-G_4Fe-4S_3)
PF13459
(Fer4_15)
PF13510
(Fer2_4) 		5 GLY A 328
LEU B 164
GLU B 169
LEU A  41
PRO A  42
 None
 1.16A 1mj2C-5xfaA:
undetectable
1mj2D-5xfaA:
undetectable		 1mj2C-5xfaA:
9.86
1mj2D-5xfaA:
9.86
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.
6ams BETA SLIDING CLAMP

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 226
GLY A 216
LEU A  53
GLU A 203
LEU A 204
 None
 1.22A 1mj2C-6amsA:
undetectable
1mj2D-6amsA:
undetectable		 1mj2C-6amsA:
16.76
1mj2D-6amsA:
16.76
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.
6exn PRE-MRNA-SPLICING
FACTOR CWC2

(Saccharomyces
cerevisiae) 		no annotation 5 ALA M  77
PHE M  75
GLY M  79
ARG M 114
GLU M 193
 None
A  6  35 ( 3.7A)
None
None
None
 0.98A 1mj2C-6exnM:
undetectable
1mj2D-6exnM:
undetectable		 1mj2C-6exnM:
undetectable
1mj2D-6exnM:
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.
6g3u -

(-) 		no annotation 5 HIS A 269
GLY A 268
ARG A 326
LEU A 240
GLU A 237
 None
 1.05A 1mj2C-6g3uA:
undetectable
1mj2D-6g3uA:
undetectable		 1mj2C-6g3uA:
undetectable
1mj2D-6g3uA:
undetectable