SIMILAR PATTERNS OF AMINO ACIDS FOR 1MXG_A_ACRA442_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Trimeresurus
stejnegeri) 		PF00089
(Trypsin) 		5 GLY A 184
GLU A 224
GLY A 223
GLY A 216
GLY A 217
 None
None
None
0GJ  A   1 (-3.5A)
0GJ  A   1 (-4.1A)
 1.03A 1mxgA-1bqyA:
undetectable		 1mxgA-1bqyA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 212
PHE A 197
GLY A 224
GLY A 120
GLY A 121
 None
None
None
AND  A 508 ( 3.1A)
FAD  A 510 (-4.1A)
 1.08A 1mxgA-1coyA:
undetectable		 1mxgA-1coyA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h2u 20 KDA NUCLEAR CAP
BINDING PROTEIN

(Homo sapiens) 		PF00076
(RRM_1) 		5 GLY X 147
GLY X 150
GLY X 132
GLY X 131
ASP X  74
 None
 1.11A 1mxgA-1h2uX:
undetectable		 1mxgA-1h2uX:
17.32
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 GLY A 206
GLU A 210
GLY A 221
GLY A 226
ASP A 225
 None
 1.12A 1mxgA-1k7hA:
undetectable		 1mxgA-1k7hA:
23.02
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 573
GLU A  55
GLY A  53
GLY A 518
GLY A  56
 None
PQQ  A 701 (-2.6A)
None
None
None
 1.08A 1mxgA-1lrwA:
undetectable		 1mxgA-1lrwA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 304
GLY A 320
GLN A 319
GLY A  14
GLY A  13
 FAD  A 459 ( 3.8A)
None
None
FAD  A 459 ( 4.0A)
FAD  A 459 ( 4.9A)
 1.00A 1mxgA-1lvlA:
1.2		 1mxgA-1lvlA:
18.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		11 GLY A   9
LYS A 241
PRO A 278
PHE A 279
GLU A 307
GLY A 308
GLN A 309
GLY A 338
GLY A 339
ASP A 358
ARG A 361
 None
 0.27A 1mxgA-1mwoA:
66.0		 1mxgA-1mwoA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		8 GLY A   9
LYS A 241
PRO A 278
PHE A 279
GLY A 308
GLN A 309
GLY A 339
ASP A 358
 None
 1.00A 1mxgA-1mwoA:
66.0		 1mxgA-1mwoA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 GLY A  10
GLN A 309
GLY A 338
GLY A 339
ASP A 358
ARG A 361
 None
 1.08A 1mxgA-1mwoA:
66.0		 1mxgA-1mwoA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 LYS A 241
PRO A 278
GLU A 307
GLY A 308
GLY A 338
ASP A 358
 None
 1.21A 1mxgA-1mwoA:
66.0		 1mxgA-1mwoA:
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.
1oh2 SUCROSE SPECIFIC
PORIN

(Salmonella
enterica) 		PF02264
(LamB) 		5 GLY Q 463
GLY Q 466
GLY Q 470
GLY Q 471
ASP Q 448
 CA  Q1484 ( 4.2A)
None
None
None
None
 0.98A 1mxgA-1oh2Q:
undetectable		 1mxgA-1oh2Q:
24.16
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.
1rcl RIBONUCLEASE F1

(Fusarium
fujikuroi) 		PF00545
(Ribonuclease) 		5 GLY A  93
PHE A  99
GLY A  96
GLY A  73
ASP A  75
 None
 1.02A 1mxgA-1rclA:
undetectable		 1mxgA-1rclA:
11.32
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 GLY A 214
GLU A 237
GLY A 208
GLY A 333
ASP A 334
 None
 0.99A 1mxgA-1ukcA:
1.5		 1mxgA-1ukcA:
21.85
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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		5 GLY A  92
PRO A 163
GLU A  71
GLY A  73
ASP A 182
 None
None
None
None
ZN  A 372 (-2.5A)
 0.97A 1mxgA-1vheA:
undetectable		 1mxgA-1vheA:
20.94
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 573
GLU A  55
GLY A  53
GLY A 518
GLY A  56
 None
PQQ  A1596 (-2.7A)
None
None
None
 1.10A 1mxgA-1w6sA:
undetectable		 1mxgA-1w6sA:
21.41
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.
2a33 HYPOTHETICAL PROTEIN

(Arabidopsis
thaliana) 		PF03641
(Lysine_decarbox) 		5 GLY A  56
GLY A  25
GLN A  24
GLY A 118
GLY A 119
 None
None
None
SO4  A 600 ( 3.8A)
SO4  A 600 (-3.6A)
 1.11A 1mxgA-2a33A:
undetectable		 1mxgA-2a33A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a72 REGULATOR OF
G-PROTEIN SIGNALLING
7

(Homo sapiens) 		PF00615
(RGS) 		5 PHE A 347
GLY A 343
GLN A 346
GLY A 331
GLY A 333
 None
 1.06A 1mxgA-2a72A:
undetectable		 1mxgA-2a72A:
17.07
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 GLY A 111
GLY A 328
GLY A  87
GLY A  86
ASP A 118
 None
ACT  A1501 (-3.5A)
None
None
None
 1.12A 1mxgA-2bb0A:
7.1		 1mxgA-2bb0A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 573
GLU A  55
GLY A  53
GLY A 518
GLY A  56
 None
PQQ  A 601 (-2.7A)
None
None
None
 1.05A 1mxgA-2d0vA:
undetectable		 1mxgA-2d0vA:
20.76
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.
2gez L-ASPARAGINASE BETA
SUBUNIT

(Lupinus luteus) 		PF01112
(Asparaginase_2) 		5 GLY B 287
PRO B 282
GLU B 248
GLY B 246
ASP B 224
 None
None
None
CL  B 406 ( 3.8A)
None
 1.11A 1mxgA-2gezB:
undetectable		 1mxgA-2gezB:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 249
GLY A 253
GLY A 164
GLY A 165
ASP A 168
 None
 0.96A 1mxgA-2hlpA:
undetectable		 1mxgA-2hlpA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hqm GLUTATHIONE
REDUCTASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  65
GLY A 170
GLY A 169
ASP A 334
ARG A 295
 FAD  A1001 (-3.5A)
None
FAD  A1001 (-3.2A)
FAD  A1001 (-2.9A)
FAD  A1001 (-3.8A)
 0.94A 1mxgA-2hqmA:
undetectable		 1mxgA-2hqmA:
22.59
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.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 GLY A 117
GLY A 335
GLY A  93
GLY A  92
ASP A 124
 None
 0.94A 1mxgA-2puzA:
4.5		 1mxgA-2puzA:
21.41
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.
2q17 FORMYLGLYCINE
GENERATING ENZYME

(Streptomyces
coelicolor) 		PF03781
(FGE-sulfatase) 		5 GLY A 295
GLU A 235
GLY A 298
GLY A 268
GLY A 231
 None
 0.94A 1mxgA-2q17A:
undetectable		 1mxgA-2q17A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		5 GLY A 103
GLU A   7
GLN A  75
GLY A   5
GLY A 286
 None
 1.06A 1mxgA-2vwbA:
1.7		 1mxgA-2vwbA:
21.16
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 GLY A 719
GLY A 554
GLN A 555
GLY A 696
GLY A 697
 None
 1.05A 1mxgA-2zzgA:
undetectable		 1mxgA-2zzgA:
20.05
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 GLY A 346
GLU A 340
GLY A 341
GLY A 357
GLY A 358
 None
 1.01A 1mxgA-3b4wA:
undetectable		 1mxgA-3b4wA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bb7 INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69) 		5 LYS A 358
PRO A 169
GLY A 258
GLY A 174
GLY A 195
 None
 1.09A 1mxgA-3bb7A:
undetectable		 1mxgA-3bb7A:
22.25
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.
3bt6 INFLUENZA B
HEMAGGLUTININ (HA)

(Influenza B
virus) 		PF00509
(Hemagglutinin) 		5 GLY A   6
GLY B  12
GLY B   4
GLY B   1
ASP B 112
 None
 0.93A 1mxgA-3bt6A:
undetectable		 1mxgA-3bt6A:
22.58
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 678
PRO A 542
GLY A 841
GLY A 842
ASP A 801
 TSN  A 301 ( 3.7A)
TSN  A 301 ( 4.5A)
TSN  A 301 ( 3.9A)
None
ZN  A 101 ( 2.5A)
 1.08A 1mxgA-3c10A:
undetectable		 1mxgA-3c10A:
21.49
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.
3dgz THIOREDOXIN
REDUCTASE 2

(Mus musculus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  57
GLY A 157
GLY A 156
ASP A 326
ARG A 285
 FAD  A 500 (-3.5A)
None
FAD  A 500 (-3.4A)
FAD  A 500 (-3.0A)
FAD  A 500 ( 3.7A)
 1.03A 1mxgA-3dgzA:
undetectable		 1mxgA-3dgzA:
20.83
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.
3e3x BIPA

(Vibrio
parahaemolyticus) 		PF00679
(EFG_C) 		5 GLY A 148
PHE A 124
GLY A 171
GLY A 202
GLY A 201
 MLY  A 147 ( 2.4A)
MLY  A 200 ( 4.7A)
None
MLY  A 147 ( 3.8A)
MLY  A 200 ( 2.4A)
 1.08A 1mxgA-3e3xA:
undetectable		 1mxgA-3e3xA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7m XYLANASE INHIBITOR
TL-XI

(Triticum
aestivum) 		PF00314
(Thaumatin) 		5 GLY A  78
GLY A  24
GLY A  70
GLY A  71
ASP A  68
 None
 1.11A 1mxgA-3g7mA:
undetectable		 1mxgA-3g7mA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gl1 HEAT SHOCK PROTEIN
SSB1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 GLY A 206
GLY A 233
GLN A 234
GLY A 341
ASP A 202
 None
None
None
None
MG  A 701 ( 3.9A)
 1.08A 1mxgA-3gl1A:
undetectable		 1mxgA-3gl1A:
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.
3heo MYOGLOBIN

(Equus caballus) 		PF00042
(Globin) 		5 GLY A 124
GLU A   6
GLY A 129
GLN A 128
GLY A   5
 None
 0.91A 1mxgA-3heoA:
undetectable		 1mxgA-3heoA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k60 HEAT SHOCK PROTEIN
86

(Plasmodium
falciparum) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 GLU A  59
GLY A 168
GLN A 145
GLY A  81
ASP A  79
 None
None
None
None
ADP  A 400 (-3.6A)
 1.10A 1mxgA-3k60A:
undetectable		 1mxgA-3k60A:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kl9 GLUTAMYL
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF05343
(Peptidase_M42) 		5 GLY A  90
PRO A 162
GLU A  69
GLY A  71
ASP A 181
 None
None
None
None
ZN  A 356 ( 2.4A)
 0.96A 1mxgA-3kl9A:
undetectable		 1mxgA-3kl9A:
22.25
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 154
PRO A  34
GLY A 306
GLY A 307
ASP A 269
 LLX  A 400 (-3.6A)
None
LLX  A 400 (-3.7A)
None
ZN  A 379 ( 2.5A)
 1.06A 1mxgA-3maxA:
undetectable		 1mxgA-3maxA:
20.66
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.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA

(Allochromatium
vinosum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A 251
PRO A 147
GLY A 148
GLY A 120
GLY A 119
 F3S  A2003 ( 4.7A)
None
None
None
None
 1.05A 1mxgA-3myrA:
undetectable		 1mxgA-3myrA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 GLY A 423
GLY A 196
GLN A 200
GLY A 402
GLY A 401
 None
 1.03A 1mxgA-3n0tA:
undetectable		 1mxgA-3n0tA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 GLY A 256
PRO A 290
GLY A  56
GLY A 127
GLY A 126
 None
 1.10A 1mxgA-3nioA:
undetectable		 1mxgA-3nioA:
21.13
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 GLY A 243
PHE A 187
GLY A 118
GLY A 355
ASP A 352
 None
 1.11A 1mxgA-3oepA:
undetectable		 1mxgA-3oepA:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		9 GLY A   9
LYS A 241
PRO A 278
PHE A 279
GLU A 307
GLY A 308
GLN A 309
GLY A 338
GLY A 339
 BCD  A 601 (-3.7A)
BCD  A 601 (-2.4A)
BCD  A 601 (-4.0A)
BCD  A 601 (-4.6A)
BCD  A 601 (-2.9A)
BCD  A 601 (-3.5A)
BCD  A 601 ( 4.6A)
BCD  A 601 ( 3.7A)
BCD  A 601 (-3.5A)
 0.20A 1mxgA-3qgvA:
65.4		 1mxgA-3qgvA:
86.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 LYS A 241
PRO A 278
GLU A 307
GLY A 308
GLN A 309
GLY A 339
 BCD  A 601 (-2.4A)
BCD  A 601 (-4.0A)
BCD  A 601 (-2.9A)
BCD  A 601 (-3.5A)
BCD  A 601 ( 4.6A)
BCD  A 601 (-3.5A)
 0.99A 1mxgA-3qgvA:
65.4		 1mxgA-3qgvA:
86.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tgh GLIDEOSOME-ASSOCIATE
D PROTEIN 50

(Plasmodium
falciparum) 		PF00149
(Metallophos) 		5 GLY A  36
GLY A 276
GLN A  42
GLY A  65
GLY A 255
 None
 1.11A 1mxgA-3tghA:
undetectable		 1mxgA-3tghA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ve2 TRANSFERRIN-BINDING
PROTEIN 2

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 GLY A 328
PRO A  77
GLU A 168
GLY A 167
GLY A 321
 None
 0.80A 1mxgA-3ve2A:
undetectable		 1mxgA-3ve2A:
22.50
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PRO A 354
GLU A 405
GLY A 355
GLY A 409
ASP A 408
 None
 0.94A 1mxgA-3vnsA:
undetectable		 1mxgA-3vnsA:
20.49
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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 GLY A 407
GLY A 735
GLY A 701
GLY A 702
ASP A 507
 None
None
AP2  A 806 ( 4.3A)
AP2  A 806 (-3.3A)
FE  A 807 ( 3.1A)
 0.97A 1mxgA-3vthA:
1.9		 1mxgA-3vthA:
20.05
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.
3ze6 PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A 267
PRO A 157
GLY A 158
GLY A 126
GLY A 125
 SF4  A 285 ( 4.6A)
None
None
None
None
 1.02A 1mxgA-3ze6A:
undetectable		 1mxgA-3ze6A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 143
PRO A  23
GLY A 296
GLY A 297
ASP A 259
 None
None
ACT  A 501 (-3.0A)
None
ZN  A 500 ( 2.4A)
 1.11A 1mxgA-4a69A:
undetectable		 1mxgA-4a69A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bgu MALATE DEHYDROGENASE

(Haloferax
volcanii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 225
GLY A 229
GLY A 145
GLY A 146
ASP A 149
 None
 0.98A 1mxgA-4bguA:
undetectable		 1mxgA-4bguA:
20.81
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 GLY B 463
GLU A 642
GLY A 643
GLY A 603
ASP A 511
 None
NAG  B3452 (-3.9A)
NAG  B3452 (-2.8A)
None
None
 0.98A 1mxgA-4cakB:
undetectable		 1mxgA-4cakB:
19.23
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 811
PRO A 676
GLY A 974
GLY A 975
ASP A 934
 KEE  A2033 ( 4.2A)
None
KEE  A2033 (-3.6A)
KEE  A2033 ( 4.9A)
ZN  A2034 ( 2.4A)
 1.08A 1mxgA-4cbyA:
undetectable		 1mxgA-4cbyA:
21.97
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.
4d4p PROTEIN ATS1,
DIPHTHAMIDE
BIOSYNTHESIS PROTEIN
3

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF05207
(zf-CSL) 		5 GLY A 153
PHE A 141
GLY A 113
GLY A 112
ASP A  97
 None
 1.11A 1mxgA-4d4pA:
undetectable		 1mxgA-4d4pA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89

(synthetic
construct) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 GLU A 355
GLN A 325
GLY A 284
GLY A 356
ASP A 285
 None
 0.98A 1mxgA-4drtA:
undetectable		 1mxgA-4drtA:
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.
4jgg ESTERASE TESA

(Pseudomonas
aeruginosa) 		PF13472
(Lipase_GDSL_2) 		5 GLY A  52
GLY A   7
GLY A  73
GLY A  74
ASP A  76
 None
 0.99A 1mxgA-4jggA:
2.2		 1mxgA-4jggA:
16.59
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.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		5 GLY A 280
GLN A   6
GLY A 284
ASP A 168
ARG A 288
 None
 0.83A 1mxgA-4jo0A:
undetectable		 1mxgA-4jo0A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT

(Desulfomicrobium
baculatum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY S 266
PRO S 162
GLY S 163
GLY S 131
GLY S 130
 SF4  S 302 ( 4.5A)
None
None
None
None
 1.02A 1mxgA-4ko2S:
undetectable		 1mxgA-4ko2S:
19.86
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.
4kqc PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Brachyspira
murdochii) 		PF13407
(Peripla_BP_4) 		5 GLY A 229
GLY A 264
GLY A 263
ASP A 262
ARG A 152
 None
 1.04A 1mxgA-4kqcA:
undetectable		 1mxgA-4kqcA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 GLY A 569
GLU A  55
GLY A  53
GLY A 509
GLY A  56
 None
PQQ  A 602 (-2.5A)
None
None
None
 1.04A 1mxgA-4maeA:
undetectable		 1mxgA-4maeA:
22.07
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A4529
PRO A4537
GLY A4535
GLY A4451
GLY A4450
 None
 1.06A 1mxgA-4opeA:
undetectable		 1mxgA-4opeA:
20.64
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.
4pb0 AB53 LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY L  91
GLN L  90
GLY L  30
GLY L  30
ASP L  30
 None
 1.06A 1mxgA-4pb0L:
undetectable		 1mxgA-4pb0L:
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.
4pf1 PEPTIDASE
S15/COCE/NOND

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 GLY A 289
PHE A 348
GLY A 328
GLY A 157
GLY A 156
 None
 1.07A 1mxgA-4pf1A:
undetectable		 1mxgA-4pf1A:
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.
4q3o MGS-MT1

(unidentified) 		PF07859
(Abhydrolase_3) 		5 GLY A 221
PHE A 292
GLY A 198
GLY A 126
GLY A 127
 None
None
None
CL  A 401 ( 4.4A)
CL  A 401 (-3.5A)
 1.06A 1mxgA-4q3oA:
undetectable		 1mxgA-4q3oA:
20.89
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.
4q51 UNCHARACTERIZED
PROTEIN

(Burkholderia
cenocepacia) 		PF10703
(MoaF)
PF17409
(MoaF_C) 		5 GLY A  49
PRO A 260
GLY A 280
GLY A 287
ASP A 285
 None
 0.76A 1mxgA-4q51A:
undetectable		 1mxgA-4q51A:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wky BETA-KETOACYL
SYNTHASE

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 327
PRO A 335
GLY A 333
GLY A 250
GLY A 249
 None
 1.07A 1mxgA-4wkyA:
undetectable		 1mxgA-4wkyA:
20.03
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.
4x33 PROTEIN ATS1

(Saccharomyces
cerevisiae) 		PF00415
(RCC1) 		5 GLY B 153
PHE B 141
GLY B 113
GLY B 112
ASP B  97
 None
 1.06A 1mxgA-4x33B:
undetectable		 1mxgA-4x33B:
19.59
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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 GLY A  83
PHE A  74
GLY A  56
GLY A   8
GLY A  41
 None
 0.96A 1mxgA-4x8fA:
undetectable		 1mxgA-4x8fA:
20.05
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.
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis) 		no annotation 5 GLY A 223
PHE A 248
GLY A 218
GLY A  27
GLY A  26
 None
None
ACP  A 302 (-3.2A)
INS  A 301 (-3.8A)
INS  A 301 (-3.1A)
 1.01A 1mxgA-4xf7A:
undetectable		 1mxgA-4xf7A:
19.82
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.
4zrm UDP-GLUCOSE
4-EPIMERASE

(Thermotoga
maritima) 		PF01370
(Epimerase) 		5 GLY A 119
GLU A 124
GLY A 123
GLY A 269
ASP A 270
 None
 1.13A 1mxgA-4zrmA:
2.5		 1mxgA-4zrmA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 GLY A 791
GLY A 524
GLN A 793
GLY A 731
GLY A 732
 None
 0.97A 1mxgA-5c2vA:
undetectable		 1mxgA-5c2vA:
20.12
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLY A 439
GLY A 432
GLY A 510
GLY A 509
ASP A 442
 None
 1.02A 1mxgA-5dotA:
undetectable		 1mxgA-5dotA:
14.07
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.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF05343
(Peptidase_M42) 		5 GLY A  90
PRO A 161
GLU A  69
GLY A  71
ASP A 180
 None
None
None
None
CO  A 401 ( 2.3A)
 0.87A 1mxgA-5ds0A:
undetectable		 1mxgA-5ds0A:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 GLY B 653
GLY B 609
GLY B 740
GLY B 780
ASP B 742
 None
None
None
TSN  B2501 ( 4.0A)
ZN  B2502 ( 2.7A)
 1.11A 1mxgA-5eduB:
undetectable		 1mxgA-5eduB:
20.53
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 GLY A 234
GLY A 191
GLY A 321
GLY A 361
ASP A 323
 None
None
None
TSN  A2002 ( 3.8A)
ZN  A2001 ( 2.7A)
 1.11A 1mxgA-5eefA:
undetectable		 1mxgA-5eefA:
20.09
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.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 5 GLY B 616
GLY B 572
GLY B 703
GLY B 743
ASP B 705
 None
None
None
ZN  B 801 ( 4.1A)
ZN  B 801 (-2.6A)
 1.12A 1mxgA-5efnB:
undetectable		 1mxgA-5efnB:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 5 GLY A 161
PRO A  53
GLY A 159
GLY A 152
GLY A 153
 None
 1.12A 1mxgA-5fkrA:
undetectable		 1mxgA-5fkrA:
20.51
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 GLY A 616
GLY A 572
GLY A 703
GLY A 743
ASP A 705
 None
None
None
ZN  A1804 ( 4.2A)
ZN  A1804 ( 2.5A)
 1.10A 1mxgA-5g0hA:
undetectable		 1mxgA-5g0hA:
19.18
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 104
PHE A  71
GLY A 147
GLY A 148
ASP A 144
 None
 0.94A 1mxgA-5gmsA:
undetectable		 1mxgA-5gmsA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN
YSF3

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N)
no annotation 		5 GLY A 847
PRO D  60
GLU A 315
ASP A 318
ARG A 280
 None
 1.10A 1mxgA-5hy7A:
undetectable		 1mxgA-5hy7A:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ilb PROTEASE DO-LIKE 2,
CHLOROPLASTIC,PROTEA
SE DO-LIKE 9

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 224
PRO A 265
GLY A 266
GLY A 229
GLY A 228
 None
 0.98A 1mxgA-5ilbA:
undetectable		 1mxgA-5ilbA:
22.72
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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 GLY A 134
PRO A  21
GLY A 286
GLY A 287
ASP A 244
 EDO  A 403 (-3.6A)
None
ZN  A 401 ( 4.2A)
None
ZN  A 401 (-2.5A)
 1.09A 1mxgA-5ji5A:
undetectable		 1mxgA-5ji5A:
21.55
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.
5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A 267
PRO A 157
GLY A 158
GLY A 126
GLY A 125
 SF4  A 302 ( 4.6A)
None
None
None
None
 1.03A 1mxgA-5jsyA:
undetectable		 1mxgA-5jsyA:
22.98
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.
5l8v DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Pyrococcus
furiosus) 		PF08423
(Rad51) 		5 GLY A 163
GLY A 111
GLY A 127
GLY A 126
ASP A 121
 None
 0.69A 1mxgA-5l8vA:
1.9		 1mxgA-5l8vA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 GLY A 464
PRO A 553
GLY A 510
GLY A 629
GLY A 550
 None
 0.97A 1mxgA-5svcA:
undetectable		 1mxgA-5svcA:
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 GLY A 178
GLY A 135
GLY A 265
GLY A 305
ASP A 267
 None
None
None
FKS  A 711 (-3.2A)
ZN  A 701 ( 2.6A)
 1.02A 1mxgA-5td7A:
undetectable		 1mxgA-5td7A:
19.53
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.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		5 GLY A 281
GLY A 665
GLY A 380
GLY A 381
ARG A 379
 7A2  A 901 ( 3.4A)
7A2  A 901 ( 3.4A)
None
None
7A2  A 901 (-2.9A)
 1.12A 1mxgA-5te1A:
undetectable		 1mxgA-5te1A:
19.14
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.
5tic ACYL-COA
THIOESTERASE I

(Escherichia
coli) 		PF13472
(Lipase_GDSL_2) 		5 GLY A  50
GLY A   8
GLY A  71
GLY A  72
ASP A  74
 None
 0.89A 1mxgA-5ticA:
3.4		 1mxgA-5ticA:
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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 GLY A 207
GLY A 234
GLN A 235
GLY A 342
ASP A 203
 ATP  A 700 (-3.6A)
ATP  A 700 ( 4.4A)
None
ATP  A 700 (-3.3A)
MG  A 701 ( 4.5A)
 1.08A 1mxgA-5tkyA:
undetectable		 1mxgA-5tkyA:
21.87
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.
5v36 GLUTATHIONE
REDUCTASE

(Streptococcus
mutans) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  46
GLY A 141
GLY A 140
ASP A 303
ARG A 263
 FAD  A 501 ( 3.7A)
None
FAD  A 501 (-3.3A)
FAD  A 501 (-2.9A)
FAD  A 501 ( 3.7A)
 1.07A 1mxgA-5v36A:
undetectable		 1mxgA-5v36A:
22.31
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.
5vdn GLUTATHIONE
OXIDOREDUCTASE

(Yersinia pestis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  56
GLY A 151
GLY A 150
ASP A 313
ARG A 273
 FAD  A 502 (-3.5A)
BDF  A 503 (-4.9A)
FAD  A 502 (-3.3A)
FAD  A 502 (-2.9A)
BDF  A 503 ( 3.6A)
 1.06A 1mxgA-5vdnA:
undetectable		 1mxgA-5vdnA:
21.64
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC23A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 GLY A 283
GLY A 401
GLN A 486
GLY A 368
GLY A 369
 None
 0.93A 1mxgA-5vniA:
undetectable		 1mxgA-5vniA:
17.95
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.
5x9r CITRATE-SODIUM
SYMPORTER

(Klebsiella
pneumoniae) 		PF03390
(2HCT) 		5 GLY A 430
GLY A 183
GLY A 404
GLY A 406
ASP A 407
 None
None
FLC  A 501 (-3.6A)
None
None
 1.04A 1mxgA-5x9rA:
undetectable		 1mxgA-5x9rA:
20.75
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.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 5 GLY A 604
GLU A  86
GLY A  84
GLY A 549
GLY A  87
 None
PQQ  A 701 (-2.5A)
None
None
None
 1.13A 1mxgA-5xm3A:
undetectable		 1mxgA-5xm3A:
10.80
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.
5xvd HYDROGENASE-2 SMALL
CHAIN

(Citrobacter sp.
MGH106) 		no annotation 5 GLY S 257
PRO S 152
GLY S 153
GLY S 125
GLY S 124
 F3S  S 402 (-4.4A)
None
None
None
None
 1.09A 1mxgA-5xvdS:
undetectable		 1mxgA-5xvdS:
10.44
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.
6b4o GLUTATHIONE
REDUCTASE

(Enterococcus
faecalis) 		no annotation 5 GLY A  45
GLY A 140
GLY A 139
ASP A 302
ARG A 262
 FAD  A 501 (-3.6A)
None
FAD  A 501 (-3.3A)
FAD  A 501 (-2.9A)
FAD  A 501 (-3.9A)
 1.08A 1mxgA-6b4oA:
undetectable		 1mxgA-6b4oA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6en9 HYDROGENASE-2 SMALL
CHAIN

(Escherichia
coli) 		no annotation 5 GLY S 257
PRO S 152
GLY S 153
GLY S 125
GLY S 124
 F3S  S 302 (-4.4A)
None
None
None
None
 1.08A 1mxgA-6en9S:
undetectable		 1mxgA-6en9S:
9.98
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.
6f45 -

(-) 		no annotation 5 GLY D 209
PRO D 128
GLY D 117
GLY D 157
GLY D 125
 None
 1.12A 1mxgA-6f45D:
undetectable		 1mxgA-6f45D:
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.
6fmq -

(-) 		no annotation 5 GLY A 524
GLN A 530
GLY A 462
GLY A 477
ARG A 415
 None
None
None
None
ACT  A 706 (-3.3A)
 1.09A 1mxgA-6fmqA:
undetectable		 1mxgA-6fmqA:
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 1,
MITOCHONDRIAL

(Mus musculus) 		no annotation 5 GLY F 252
GLY F  64
GLY F  67
GLY F  72
ARG F  68
 None
None
FMN  F 501 (-3.1A)
FMN  F 501 ( 4.9A)
None
 0.92A 1mxgA-6g2jF:
undetectable		 1mxgA-6g2jF:
13.29