SIMILAR PATTERNS OF AMINO ACIDS FOR 1MJQ_A_SAMA200

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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 GLU A 351
ARG A 355
HIS A 402
HIS A 407
ALA A 405
 None
 1.08A 1mjqA-1b25A:
0.1
1mjqB-1b25A:
undetectable		 1mjqA-1b25A:
11.31
1mjqB-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
 0.78A 1mjqA-1brwA:
undetectable
1mjqB-1brwA:
undetectable		 1mjqA-1brwA:
15.40
1mjqB-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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 ARG A 454
LEU A 409
GLU A 405
HIS A 401
GLY A 416
 SO4  A2001 (-3.8A)
None
None
None
None
 1.19A 1mjqA-1c7tA:
undetectable
1mjqB-1c7tA:
undetectable		 1mjqA-1c7tA:
8.93
1mjqB-1c7tA:
8.93
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.
1ems NIT-FRAGILE
HISTIDINE TRIAD
FUSION PROTEIN

(Caenorhabditis
elegans) 		PF00795
(CN_hydrolase)
PF01230
(HIT) 		5 LEU A 346
GLU A 350
HIS A 288
ALA A 352
PHE A 355
 None
 1.30A 1mjqA-1emsA:
undetectable
1mjqB-1emsA:
undetectable		 1mjqA-1emsA:
12.44
1mjqB-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.
1ge7 PEPTIDYL-LYS
METALLOENDOPEPTIDASE

(Grifola
frondosa) 		PF14521
(Aspzincin_M35) 		5 GLU A 118
GLU A 157
HIS A 156
HIS A  59
GLY A 126
 ZN  A 200 ( 4.2A)
None
None
None
None
 1.04A 1mjqA-1ge7A:
undetectable
1mjqB-1ge7A:
undetectable		 1mjqA-1ge7A:
20.00
1mjqB-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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLU A 582
ARG A 535
LEU A 533
ALA A 664
GLY A 381
 None
 1.31A 1mjqA-1l5jA:
undetectable
1mjqB-1l5jA:
undetectable		 1mjqA-1l5jA:
8.51
1mjqB-1l5jA:
8.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l9g CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF03167
(UDG) 		5 GLU A 100
PRO A  22
HIS A 107
ALA A 104
GLY A 106
 None
None
None
SF4  A 201 ( 4.2A)
None
 0.88A 1mjqA-1l9gA:
undetectable
1mjqB-1l9gA:
undetectable		 1mjqA-1l9gA:
17.59
1mjqB-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) 		7 GLU A  39
ARG A  43
LEU A  56
GLU A  59
HIS A  63
LEU A  70
PRO A  71
 None
None
None
None
SAM  A 200 ( 2.9A)
None
None
 0.34A 1mjqA-1mjlA:
14.0
1mjqB-1mjlA:
15.4		 1mjqA-1mjlA:
100.00
1mjqB-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) 		5 GLU A  39
ARG A  43
LEU A  70
PRO A  71
ALA A  60
 None
 1.25A 1mjqA-1mjlA:
14.0
1mjqB-1mjlA:
15.4		 1mjqA-1mjlA:
100.00
1mjqB-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 LEU A 245
HIS A 251
ALA A 313
PHE A 311
GLY A 315
 None
 1.29A 1mjqA-1npcA:
undetectable
1mjqB-1npcA:
undetectable		 1mjqA-1npcA:
15.30
1mjqB-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.
1pci PROCARICAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 GLU A  47
ARG A  17
GLU A  50
HIS A  81
GLY A 102
 None
 1.35A 1mjqA-1pciA:
0.5
1mjqB-1pciA:
undetectable		 1mjqA-1pciA:
15.65
1mjqB-1pciA:
15.65
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLU A 595
LEU A 656
GLU A 653
ALA A 597
GLY A 552
 None
 1.23A 1mjqA-1v7vA:
undetectable
1mjqB-1v7vA:
undetectable		 1mjqA-1v7vA:
10.79
1mjqB-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 GLU B 290
LEU B 288
PRO B 377
ALA B 279
GLY B 282
 None
 1.27A 1mjqA-1vraB:
undetectable
1mjqB-1vraB:
undetectable		 1mjqA-1vraB:
20.00
1mjqB-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.
1yc9 MULTIDRUG RESISTANCE
PROTEIN

(Vibrio cholerae) 		PF02321
(OEP) 		5 ARG A 310
GLU A 177
ALA A 101
PHE A 104
GLY A 103
 None
 1.35A 1mjqA-1yc9A:
undetectable
1mjqB-1yc9A:
undetectable		 1mjqA-1yc9A:
13.62
1mjqB-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.
1yc9 MULTIDRUG RESISTANCE
PROTEIN

(Vibrio cholerae) 		PF02321
(OEP) 		5 GLU A 170
ARG A 310
GLU A 177
ALA A 101
GLY A 103
 None
 1.10A 1mjqA-1yc9A:
undetectable
1mjqB-1yc9A:
undetectable		 1mjqA-1yc9A:
13.62
1mjqB-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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		5 ARG A 193
LEU A 371
HIS A 414
PRO A 378
GLY A 318
 None
 1.28A 1mjqA-1z5aA:
undetectable
1mjqB-1z5aA:
undetectable		 1mjqA-1z5aA:
13.50
1mjqB-1z5aA:
13.50
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.
1z9p SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		5 GLU A  78
PRO A  79
HIS A  72
ALA A  92
GLY A  94
 None
None
CU  A 200 (-3.2A)
None
None
 1.26A 1mjqA-1z9pA:
undetectable
1mjqB-1z9pA:
undetectable		 1mjqA-1z9pA:
19.08
1mjqB-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.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		5 GLU A  68
PRO A  69
HIS A  62
ALA A  82
GLY A  84
 None
None
CU  A 402 ( 3.4A)
None
None
 1.27A 1mjqA-2apsA:
undetectable
1mjqB-2apsA:
undetectable		 1mjqA-2apsA:
18.87
1mjqB-2apsA:
18.87
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.
2aqt SUPEROXIDE DISMUTASE
[CU-ZN]

(Neisseria
meningitidis) 		no annotation 5 GLU C  87
PRO C  88
HIS C  81
ALA C 101
GLY C 103
 None
None
CU1  C 200 (-3.3A)
None
None
 1.27A 1mjqA-2aqtC:
undetectable
1mjqB-2aqtC:
undetectable		 1mjqA-2aqtC:
20.00
1mjqB-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.
2arh HYPOTHETICAL PROTEIN
AQ_1966

(Aquifex
aeolicus) 		PF06557
(DUF1122) 		5 ARG A 191
GLU A 110
LEU A 184
PHE A 172
GLY A 177
 None
 1.02A 1mjqA-2arhA:
undetectable
1mjqB-2arhA:
undetectable		 1mjqA-2arhA:
21.50
1mjqB-2arhA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 HIS A 804
LEU A 808
PRO A 815
ALA A 784
PHE A 788
 None
 1.14A 1mjqA-2b3xA:
undetectable
1mjqB-2b3xA:
undetectable		 1mjqA-2b3xA:
7.63
1mjqB-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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 LEU A 808
PRO A 815
ALA A 784
PHE A 788
GLY A 786
 None
 1.18A 1mjqA-2b3xA:
undetectable
1mjqB-2b3xA:
undetectable		 1mjqA-2b3xA:
7.63
1mjqB-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 LEU A  88
LEU A 139
ALA A  21
PHE A  25
GLY A  23
 None
 0.95A 1mjqA-2cwdA:
undetectable
1mjqB-2cwdA:
undetectable		 1mjqA-2cwdA:
18.75
1mjqB-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 LEU A  76
HIS A 280
HIS A 264
ALA A 263
GLY A 258
 None
 1.13A 1mjqA-2cy7A:
0.1
1mjqB-2cy7A:
undetectable		 1mjqA-2cy7A:
13.05
1mjqB-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 GLU A  72
LEU A  94
LEU A  64
ALA A   7
GLY A  40
 None
 1.33A 1mjqA-2ejwA:
undetectable
1mjqB-2ejwA:
undetectable		 1mjqA-2ejwA:
14.15
1mjqB-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.
2ghs AGR_C_1268P

(Agrobacterium
fabrum) 		PF08450
(SGL) 		5 GLU A  40
LEU A  38
GLU A 281
HIS A 294
GLY A 258
 EDO  A 317 (-3.9A)
None
None
None
None
 1.11A 1mjqA-2ghsA:
undetectable
1mjqB-2ghsA:
undetectable		 1mjqA-2ghsA:
16.13
1mjqB-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 ARG A  29
LEU A 357
HIS A 344
LEU A 349
GLY A 322
 None
None
None
FMN  A4401 ( 3.8A)
FMN  A4401 (-3.4A)
 0.96A 1mjqA-2gouA:
undetectable
1mjqB-2gouA:
undetectable		 1mjqA-2gouA:
14.25
1mjqB-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 GLU A 167
ARG A 170
GLU A 174
LEU A 185
ALA A 202
 None
 1.30A 1mjqA-2gz3A:
undetectable
1mjqB-2gz3A:
undetectable		 1mjqA-2gz3A:
14.66
1mjqB-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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 GLU A 248
HIS A 158
HIS A 396
ALA A 395
PHE A 393
 None
ZN  A 482 ( 3.3A)
SO4  A 491 (-4.0A)
None
None
 1.32A 1mjqA-2i7tA:
undetectable
1mjqB-2i7tA:
undetectable		 1mjqA-2i7tA:
12.28
1mjqB-2i7tA:
12.28
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.
2lw1 ABC TRANSPORTER
ATP-BINDING PROTEIN
UUP

(Escherichia
coli) 		PF16326
(ABC_tran_CTD) 		5 GLU A 569
LEU A 628
LEU A 577
PRO A 574
ALA A 621
 None
 1.32A 1mjqA-2lw1A:
undetectable
1mjqB-2lw1A:
undetectable		 1mjqA-2lw1A:
27.59
1mjqB-2lw1A:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ory LIPASE

(Photobacterium
sp. M37) 		PF01764
(Lipase_3) 		5 LEU A 293
HIS A 312
ALA A 207
PHE A 206
GLY A 177
 None
 1.31A 1mjqA-2oryA:
undetectable
1mjqB-2oryA:
undetectable		 1mjqA-2oryA:
17.69
1mjqB-2oryA:
17.69
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLU A  45
LEU A  19
LEU A  10
ALA A  30
GLY A  53
 None
 1.18A 1mjqA-2p4qA:
undetectable
1mjqB-2p4qA:
undetectable		 1mjqA-2p4qA:
12.32
1mjqB-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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		5 GLU A 343
GLU A 293
ALA A 348
PHE A 342
GLY A 350
 ATP  A 500 (-2.9A)
None
None
None
None
 1.26A 1mjqA-2paaA:
undetectable
1mjqB-2paaA:
undetectable		 1mjqA-2paaA:
13.86
1mjqB-2paaA:
13.86
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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		5 GLU A  78
ARG A  73
LEU A 311
GLU A 312
ALA A 309
 None
 1.02A 1mjqA-2wu8A:
undetectable
1mjqB-2wu8A:
undetectable		 1mjqA-2wu8A:
10.96
1mjqB-2wu8A:
10.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		5 ARG A 304
LEU A  11
GLU A  10
HIS A  16
GLY A  19
 None
 1.13A 1mjqA-2wuqA:
undetectable
1mjqB-2wuqA:
undetectable		 1mjqA-2wuqA:
14.29
1mjqB-2wuqA:
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.
2x1i 4-ALPHA-GLUCANOTRANS
FERASE

(Thermus
brockianus) 		PF02446
(Glyco_hydro_77) 		5 LEU A  77
PRO A  76
ALA A 111
PHE A 115
GLY A 114
 None
 1.34A 1mjqA-2x1iA:
undetectable
1mjqB-2x1iA:
undetectable		 1mjqA-2x1iA:
11.45
1mjqB-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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		5 GLU A 599
GLU A 602
LEU A 603
PRO A 568
GLY A 619
 None
 1.32A 1mjqA-2y3aA:
undetectable
1mjqB-2y3aA:
undetectable		 1mjqA-2y3aA:
7.52
1mjqB-2y3aA:
7.52
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.
2y4l MANNOSYLGLYCERATE
SYNTHASE

(Rhodothermus
marinus) 		no annotation 5 GLU A  90
GLU A  31
LEU A  33
ALA A  83
GLY A  79
 None
None
None
None
GDP  A 401 ( 3.8A)
 1.30A 1mjqA-2y4lA:
undetectable
1mjqB-2y4lA:
undetectable		 1mjqA-2y4lA:
13.03
1mjqB-2y4lA:
13.03
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) 		6 GLU A  89
ARG A 269
GLU A 396
ALA A 113
PHE A  87
GLY A 116
 None
 1.36A 1mjqA-2yp2A:
undetectable
1mjqB-2yp2A:
undetectable		 1mjqA-2yp2A:
11.02
1mjqB-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 HIS A  29
LEU A 132
PRO A 114
ALA A  37
GLY A  35
 None
 0.93A 1mjqA-2zf8A:
undetectable
1mjqB-2zf8A:
undetectable		 1mjqA-2zf8A:
18.57
1mjqB-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.
3aeu LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 GLU A 154
LEU A 158
LEU A 221
HIS A 330
PHE A 225
 None
 1.32A 1mjqA-3aeuA:
undetectable
1mjqB-3aeuA:
undetectable		 1mjqA-3aeuA:
14.11
1mjqB-3aeuA:
14.11
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.
3bru REGULATORY PROTEIN,
TETR FAMILY

(Rhodobacter
sphaeroides) 		PF00440
(TetR_N)
PF16925
(TetR_C_13) 		5 LEU A 159
HIS A 173
LEU A 169
HIS A 212
GLY A 210
 None
 1.32A 1mjqA-3bruA:
1.2
1mjqB-3bruA:
undetectable		 1mjqA-3bruA:
25.42
1mjqB-3bruA:
25.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 LEU A  81
PRO A  72
ALA A  87
PHE A  88
GLY A  90
 None
 0.96A 1mjqA-3c4qA:
undetectable
1mjqB-3c4qA:
undetectable		 1mjqA-3c4qA:
13.37
1mjqB-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.
3cpi RAB GDP-DISSOCIATION
INHIBITOR

(Saccharomyces
cerevisiae) 		PF00996
(GDI) 		5 ARG G 434
LEU G 411
PRO G 400
ALA G 292
GLY G  16
 None
 1.34A 1mjqA-3cpiG:
undetectable
1mjqB-3cpiG:
undetectable		 1mjqA-3cpiG:
11.73
1mjqB-3cpiG:
11.73
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 GLU A  56
HIS A  40
PRO A  13
HIS A 123
PHE A 136
 None
ZN  A 301 (-3.5A)
None
FE  A 310 (-3.3A)
None
 0.96A 1mjqA-3dcpA:
undetectable
1mjqB-3dcpA:
undetectable		 1mjqA-3dcpA:
16.86
1mjqB-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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 333
HIS A 237
PRO A 430
ALA A 268
GLY A 270
 None
 1.36A 1mjqA-3dkhA:
undetectable
1mjqB-3dkhA:
undetectable		 1mjqA-3dkhA:
9.96
1mjqB-3dkhA:
9.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 189
PRO A 249
ALA A 151
PHE A 149
GLY A 153
 None
 1.25A 1mjqA-3e9yA:
undetectable
1mjqB-3e9yA:
undetectable		 1mjqA-3e9yA:
11.40
1mjqB-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.
3e9z PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 LEU A  70
LEU A 108
PRO A  27
HIS A  17
ALA A  16
 None
 1.30A 1mjqA-3e9zA:
undetectable
1mjqB-3e9zA:
undetectable		 1mjqA-3e9zA:
16.73
1mjqB-3e9zA:
16.73
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.
3eyk HEMAGGLUTININ HA1
CHAIN
HEMAGGLUTININ HA2
CHAIN

(Influenza A
virus;
Influenza A
virus) 		PF00509
(Hemagglutinin)
PF00509
(Hemagglutinin) 		5 GLU A  89
GLU B  67
ALA A 113
PHE A  87
GLY A 116
 None
 1.28A 1mjqA-3eykA:
undetectable
1mjqB-3eykA:
undetectable		 1mjqA-3eykA:
13.80
1mjqB-3eykA:
13.80
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.
3fpk FERREDOXIN-NADP
REDUCTASE

(Salmonella
enterica) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLU A 175
HIS A 141
LEU A 149
ALA A 143
PHE A 145
 None
 1.14A 1mjqA-3fpkA:
undetectable
1mjqB-3fpkA:
undetectable		 1mjqA-3fpkA:
15.94
1mjqB-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.
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 132
PRO A 130
HIS A 154
ALA A 155
GLY A 157
 NA  A 566 (-4.9A)
None
None
None
NA  A 559 (-3.5A)
 1.29A 1mjqA-3hwwA:
undetectable
1mjqB-3hwwA:
undetectable		 1mjqA-3hwwA:
11.01
1mjqB-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.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ARG A 222
LEU A 252
PRO A 253
ALA A 214
PHE A 216
 None
 1.18A 1mjqA-3p5pA:
1.0
1mjqB-3p5pA:
undetectable		 1mjqA-3p5pA:
9.40
1mjqB-3p5pA:
9.40
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.
3qe3 SORBITOL
DEHYDROGENASE

(Ovis aries) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLU A 149
LEU A 309
LEU A 141
PRO A 142
ALA A  91
 None
 1.28A 1mjqA-3qe3A:
undetectable
1mjqB-3qe3A:
undetectable		 1mjqA-3qe3A:
17.69
1mjqB-3qe3A:
17.69
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.
3qt3 PUTATIVE
UNCHARACTERIZED
PROTEIN CPE0426

(Clostridium
perfringens) 		PF06824
(Glyco_hydro_125) 		5 GLU A  82
LEU A   8
ALA A  85
PHE A  87
GLY A  89
 None
 1.30A 1mjqA-3qt3A:
undetectable
1mjqB-3qt3A:
undetectable		 1mjqA-3qt3A:
13.59
1mjqB-3qt3A:
13.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r3s OXIDOREDUCTASE

(Salmonella
enterica) 		PF13561
(adh_short_C2) 		5 LEU A 148
HIS A 195
LEU A 196
ALA A 141
GLY A 240
 None
 1.34A 1mjqA-3r3sA:
undetectable
1mjqB-3r3sA:
undetectable		 1mjqA-3r3sA:
15.49
1mjqB-3r3sA:
15.49
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.
3rr2 CYSTEINE SYNTHASE

(Mycobacterium
marinum) 		PF00291
(PALP) 		5 ARG A 193
GLU A 160
HIS A 154
ALA A 155
GLY A 181
 None
 1.10A 1mjqA-3rr2A:
undetectable
1mjqB-3rr2A:
undetectable		 1mjqA-3rr2A:
17.89
1mjqB-3rr2A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ARG A  22
LEU A  48
GLU A  51
ALA A  29
GLY A  32
 None
 1.26A 1mjqA-3toxA:
undetectable
1mjqB-3toxA:
undetectable		 1mjqA-3toxA:
15.36
1mjqB-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 LEU A  16
GLU A  19
LEU A  23
ALA A  25
GLY A  39
 None
 1.16A 1mjqA-3v8vA:
undetectable
1mjqB-3v8vA:
undetectable		 1mjqA-3v8vA:
13.17
1mjqB-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.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		6 GLU A  89
ARG A 269
GLU A 396
ALA A 113
PHE A  87
GLY A 116
 None
 1.30A 1mjqA-3wheA:
undetectable
1mjqB-3wheA:
undetectable		 1mjqA-3wheA:
12.03
1mjqB-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.
3zs3 THAUMATIN-LIKE
PROTEIN

(Malus domestica) 		PF00314
(Thaumatin) 		5 GLU A 184
LEU A 144
PRO A 141
ALA A 159
GLY A 164
 None
 1.08A 1mjqA-3zs3A:
undetectable
1mjqB-3zs3A:
undetectable		 1mjqA-3zs3A:
17.41
1mjqB-3zs3A:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ARG A 231
LEU A  70
GLU A  68
PHE A 135
GLY A 134
 SO4  A1820 (-3.1A)
None
SO4  A1820 ( 4.9A)
None
None
 1.35A 1mjqA-4b9yA:
undetectable
1mjqB-4b9yA:
undetectable		 1mjqA-4b9yA:
8.45
1mjqB-4b9yA:
8.45
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 GLU A  68
LEU A  83
ALA A  82
PHE A  81
GLY A 468
 SO4  A1820 ( 4.9A)
None
None
None
None
 1.12A 1mjqA-4b9yA:
undetectable
1mjqB-4b9yA:
undetectable		 1mjqA-4b9yA:
8.45
1mjqB-4b9yA:
8.45
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.
4cok PYRUVATE
DECARBOXYLASE

(Gluconacetobacter
diazotrophicus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ARG A  62
LEU A  92
GLU A  90
ALA A 222
GLY A 224
 None
 1.30A 1mjqA-4cokA:
undetectable
1mjqB-4cokA:
undetectable		 1mjqA-4cokA:
11.16
1mjqB-4cokA:
11.16
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.
4egs RIBOSE 5-PHOSPHATE
ISOMERASE RPIB

(Caldanaerobacter
subterraneus) 		PF01451
(LMWPc) 		5 LEU A  83
LEU A 135
ALA A  17
PHE A  21
GLY A  19
 LEU  A  83 ( 0.6A)
LEU  A 135 ( 0.6A)
ALA  A  17 ( 0.0A)
PHE  A  21 ( 1.3A)
GLY  A  19 ( 0.0A)
 1.06A 1mjqA-4egsA:
undetectable
1mjqB-4egsA:
undetectable		 1mjqA-4egsA:
21.20
1mjqB-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.
4ewt PEPTIDASE,
M20/M25/M40 FAMILY

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 362
LEU A  82
PRO A  83
ALA A 102
GLY A 104
 MN  A 401 (-3.7A)
None
None
None
None
 1.36A 1mjqA-4ewtA:
undetectable
1mjqB-4ewtA:
undetectable		 1mjqA-4ewtA:
13.70
1mjqB-4ewtA:
13.70
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.
4g92 TRANSCRIPTION FACTOR
HAPC (EUROFUNG)
HAPE

(Aspergillus
nidulans;
Aspergillus
nidulans) 		PF00808
(CBFD_NFYB_HMF)
PF00808
(CBFD_NFYB_HMF) 		5 LEU B  48
HIS C  85
LEU C  89
ALA C 114
PHE C 113
 None
 1.26A 1mjqA-4g92B:
undetectable
1mjqB-4g92B:
undetectable		 1mjqA-4g92B:
18.42
1mjqB-4g92B:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4glf RSFP

(uncultured
bacterium) 		PF01048
(PNP_UDP_1) 		5 ARG A  34
LEU A  51
GLU A  53
LEU A  30
GLY A  23
 None
 1.27A 1mjqA-4glfA:
undetectable
1mjqB-4glfA:
undetectable		 1mjqA-4glfA:
16.49
1mjqB-4glfA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 GLU A  36
ARG A  52
LEU A  50
GLU A  60
PHE A  99
 None
 1.12A 1mjqA-4hh8A:
undetectable
1mjqB-4hh8A:
undetectable		 1mjqA-4hh8A:
18.26
1mjqB-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.
4mbg CAAX
FARNESYLTRANSFERASE
ALPHA SUBUNIT RAM2
CAAX
FARNESYLTRANSFERASE
BETA SUBUNIT RAM1

(Aspergillus
fumigatus;
Aspergillus
fumigatus) 		PF01239
(PPTA)
PF00432
(Prenyltrans) 		5 ARG B 175
LEU A  30
GLU B 138
ALA B 158
GLY B 161
 None
 1.00A 1mjqA-4mbgB:
undetectable
1mjqB-4mbgB:
undetectable		 1mjqA-4mbgB:
13.00
1mjqB-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.
4nfu EDS1

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		5 LEU A  66
PRO A  72
HIS A 168
ALA A 169
GLY A 171
 None
None
None
None
BGC  A 701 ( 3.8A)
 1.35A 1mjqA-4nfuA:
0.7
1mjqB-4nfuA:
undetectable		 1mjqA-4nfuA:
10.03
1mjqB-4nfuA:
10.03
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 LEU A 229
HIS A  98
ALA A  95
PHE A  94
GLY A  97
 None
NI  A1001 (-3.4A)
None
None
None
 1.18A 1mjqA-4q2cA:
undetectable
1mjqB-4q2cA:
undetectable		 1mjqA-4q2cA:
8.82
1mjqB-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.
4r81 NADH DEHYDROGENASE

(Methanothermobacter
marburgensis) 		PF02525
(Flavodoxin_2) 		5 ARG A 103
GLU A  52
LEU A  65
PRO A  66
GLY A 108
 None
 1.34A 1mjqA-4r81A:
undetectable
1mjqB-4r81A:
undetectable		 1mjqA-4r81A:
18.18
1mjqB-4r81A:
18.18
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.
4tzo PROTEIN HTP-1
C. ELEGANS HIM-3
CLOSURE MOTIF

(Caenorhabditis
elegans;
Caenorhabditis
elegans) 		PF02301
(HORMA)
no annotation 		5 LEU A 189
GLU A 123
LEU A 110
ALA A 195
GLY B 284
 None
 1.27A 1mjqA-4tzoA:
undetectable
1mjqB-4tzoA:
undetectable		 1mjqA-4tzoA:
19.44
1mjqB-4tzoA:
19.44
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.
4uc0 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Agrobacterium
vitis) 		PF01048
(PNP_UDP_1) 		5 GLU A 208
PRO A 207
ALA A 212
PHE A 215
GLY A 216
 None
 1.36A 1mjqA-4uc0A:
undetectable
1mjqB-4uc0A:
undetectable		 1mjqA-4uc0A:
14.09
1mjqB-4uc0A:
14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4we6 HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLU A  49
ARG A 229
ALA A  73
PHE A  47
GLY A  76
 None
 1.35A 1mjqA-4we6A:
undetectable
1mjqB-4we6A:
undetectable		 1mjqA-4we6A:
18.68
1mjqB-4we6A:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		5 GLU A  32
GLU A 100
LEU A  15
PRO A  12
GLY A 108
 FAD  A 503 (-2.5A)
FAD  A 503 ( 4.9A)
None
FAD  A 503 (-3.9A)
None
 1.35A 1mjqA-4x4jA:
undetectable
1mjqB-4x4jA:
undetectable		 1mjqA-4x4jA:
10.54
1mjqB-4x4jA:
10.54
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.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 5 ARG A 113
LEU A 129
GLU A  67
LEU A  71
ALA A 167
 None
None
None
ECP  A 700 (-3.3A)
ECP  A 700 (-3.3A)
 1.33A 1mjqA-4xlyA:
0.7
1mjqB-4xlyA:
undetectable		 1mjqA-4xlyA:
18.51
1mjqB-4xlyA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ywc TRANSCRIPTION FACTOR
MYC3

(Arabidopsis
thaliana) 		PF14215
(bHLH-MYC_N) 		5 GLU A 214
LEU A 165
PRO A 166
ALA A 192
GLY A 188
 None
 1.13A 1mjqA-4ywcA:
undetectable
1mjqB-4ywcA:
undetectable		 1mjqA-4ywcA:
15.97
1mjqB-4ywcA:
15.97
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 LEU A 615
GLU A 618
LEU A 682
HIS A 622
GLY A 675
 None
 1.17A 1mjqA-4z7gA:
undetectable
1mjqB-4z7gA:
undetectable		 1mjqA-4z7gA:
12.11
1mjqB-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.
4zrv MINCLE CRD

(Bos taurus) 		PF00059
(Lectin_C) 		5 GLU A 135
GLU A 176
PRO A 195
ALA A 179
GLY A 139
 4RS  A 301 (-3.1A)
4RS  A 301 (-2.5A)
None
None
None
 1.36A 1mjqA-4zrvA:
undetectable
1mjqB-4zrvA:
undetectable		 1mjqA-4zrvA:
19.40
1mjqB-4zrvA:
19.40
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.
4zrw MINCLE PROTEIN

(Bos taurus) 		PF00059
(Lectin_C) 		5 GLU A 135
GLU A 176
PRO A 195
ALA A 179
GLY A 139
 TRE  A 301 (-2.7A)
TRE  A 301 (-2.6A)
None
None
None
 1.34A 1mjqA-4zrwA:
undetectable
1mjqB-4zrwA:
undetectable		 1mjqA-4zrwA:
18.12
1mjqB-4zrwA:
18.12
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.
5cx8 LIPOPROTEIN RAGB

(Porphyromonas
gingivalis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 LEU A 220
PRO A 221
ALA A 150
PHE A 148
GLY A 152
 None
 1.33A 1mjqA-5cx8A:
undetectable
1mjqB-5cx8A:
undetectable		 1mjqA-5cx8A:
11.64
1mjqB-5cx8A:
11.64
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 ARG A 103
LEU A  76
GLU A  72
HIS A  22
PHE A  23
 None
 1.20A 1mjqA-5fqdA:
undetectable
1mjqB-5fqdA:
undetectable		 1mjqA-5fqdA:
8.62
1mjqB-5fqdA:
8.62
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.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 LEU A 562
PRO A 565
ALA A 560
PHE A 468
GLY A 452
 None
 1.32A 1mjqA-5hzwA:
undetectable
1mjqB-5hzwA:
undetectable		 1mjqA-5hzwA:
10.14
1mjqB-5hzwA:
10.14
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.
5ik8 LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		5 LEU A3105
LEU A3107
ALA A2946
PHE A3061
GLY A3063
 None
 1.35A 1mjqA-5ik8A:
undetectable
1mjqB-5ik8A:
undetectable		 1mjqA-5ik8A:
13.39
1mjqB-5ik8A:
13.39
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.
5itg SORBITOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 GLU A 427
GLU A 434
LEU A 449
PRO A 450
ALA A 438
 None
 1.18A 1mjqA-5itgA:
undetectable
1mjqB-5itgA:
undetectable		 1mjqA-5itgA:
13.95
1mjqB-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 GLU A 800
LEU A 843
LEU A 809
ALA A 795
GLY A 791
 None
None
None
None
NAP  A1201 (-3.8A)
 1.33A 1mjqA-5msoA:
undetectable
1mjqB-5msoA:
undetectable		 1mjqA-5msoA:
6.72
1mjqB-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.
5o0t PUTATIVE FERRIC
REDUCTASE

(Cylindrospermum
stagnale) 		PF01794
(Ferric_reduct) 		5 LEU A 250
HIS A 317
HIS A 313
ALA A 255
GLY A 259
 None
HEM  A 505 (-3.5A)
HEM  A 505 (-3.2A)
None
HEM  A 505 (-3.2A)
 1.01A 1mjqA-5o0tA:
undetectable
1mjqB-5o0tA:
undetectable		 1mjqA-5o0tA:
19.31
1mjqB-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 LEU A 229
GLU A 230
LEU A 199
PRO A 200
GLY A 220
 None
 0.90A 1mjqA-5oieA:
undetectable
1mjqB-5oieA:
undetectable		 1mjqA-5oieA:
undetectable
1mjqB-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 GLU B 206
ARG B 210
LEU B 163
GLU B 166
GLY B 299
 None
 1.13A 1mjqA-5op0B:
undetectable
1mjqB-5op0B:
undetectable		 1mjqA-5op0B:
17.30
1mjqB-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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 ARG A 524
LEU A 439
GLU A 457
PHE A 536
GLY A 557
 None
 1.22A 1mjqA-5svcA:
undetectable
1mjqB-5svcA:
undetectable		 1mjqA-5svcA:
8.76
1mjqB-5svcA:
8.76
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.
5twt PEROXIDASE PVI9

(Panicum
virgatum) 		PF00141
(peroxidase) 		5 LEU A 175
LEU A 233
PRO A 139
ALA A 172
GLY A 170
 None
HEM  A 301 (-4.2A)
HEM  A 301 ( 3.5A)
HEM  A 301 (-3.0A)
HEM  A 301 (-3.0A)
 1.33A 1mjqA-5twtA:
undetectable
1mjqB-5twtA:
undetectable		 1mjqA-5twtA:
15.85
1mjqB-5twtA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5udb DNA REPLICATION
LICENSING FACTOR
MCM3

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF17207
(MCM_OB) 		5 ARG 3 291
LEU 3 428
GLU 3 263
PRO 3 262
GLY 3 436
 None
 1.29A 1mjqA-5udb3:
0.7
1mjqB-5udb3:
0.5		 1mjqA-5udb3:
7.81
1mjqB-5udb3:
7.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5umn HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLU A  89
ARG A 269
ALA A 113
PHE A  87
GLY A 116
 None
 1.36A 1mjqA-5umnA:
undetectable
1mjqB-5umnA:
undetectable		 1mjqA-5umnA:
15.41
1mjqB-5umnA:
15.41
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.
5uuo GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Novosphingobium
aromaticivorans) 		no annotation 5 GLU B  68
LEU B 214
ALA B 130
PHE B 136
GLY B 134
 None
 1.25A 1mjqA-5uuoB:
undetectable
1mjqB-5uuoB:
undetectable		 1mjqA-5uuoB:
undetectable
1mjqB-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.
5xag TUBULIN TYROSINE
LIGASE

(Gallus gallus) 		no annotation 5 HIS F 308
LEU F 307
HIS F  54
PHE F  49
GLY F  50
 None
 1.31A 1mjqA-5xagF:
undetectable
1mjqB-5xagF:
undetectable		 1mjqA-5xagF:
undetectable
1mjqB-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 LEU B 164
GLU B 169
LEU A  41
PRO A  42
GLY A 328
 None
 1.23A 1mjqA-5xfaB:
undetectable
1mjqB-5xfaB:
undetectable		 1mjqA-5xfaB:
19.31
1mjqB-5xfaB:
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.
5xl2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLU A  85
GLU A 394
ALA A 109
PHE A  83
GLY A 112
 None
 1.27A 1mjqA-5xl2A:
undetectable
1mjqB-5xl2A:
undetectable		 1mjqA-5xl2A:
12.74
1mjqB-5xl2A:
12.74
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.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 GLU A 265
LEU A 269
GLU A 240
ALA A 235
GLY A 226
 None
 1.34A 1mjqA-5xwwA:
undetectable
1mjqB-5xwwA:
undetectable		 1mjqA-5xwwA:
undetectable
1mjqB-5xwwA:
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.
6ams BETA SLIDING CLAMP

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A  53
GLU A 203
LEU A 204
ALA A 226
GLY A 216
 None
 1.20A 1mjqA-6amsA:
undetectable
1mjqB-6amsA:
undetectable		 1mjqA-6amsA:
16.76
1mjqB-6amsA:
16.76