SIMILAR PATTERNS OF AMINO ACIDS FOR 1MXD_A_ACRA732

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)
1.07A 1mxdA-1bqyA:
0.0
1mxdA-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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)


(Aquifex
aeolicus)
PF00850
(Hist_deacetyl)
5 GLY A 140
PRO A  22
GLY A 295
GLY A 296
ASP A 258
TSN  A 502 ( 3.9A)
TSN  A 502 (-4.4A)
ZN  A 501 ( 4.1A)
None
ZN  A 501 ( 2.5A)
1.15A 1mxdA-1c3rA:
0.3
1mxdA-1c3rA:
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.
1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT


(Desulfovibrio
desulfuricans)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
5 GLY A 250
PRO A 148
GLY A 149
GLY A 119
GLY A 118
F3S  A 267 ( 4.5A)
None
None
H2S  A 904 (-3.5A)
H2S  A 904 ( 4.4A)
1.01A 1mxdA-1e3dA:
0.0
1mxdA-1e3dA:
18.94
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.
1fy1 HEPARIN-BINDING
PROTEIN


(Homo sapiens)
PF00089
(Trypsin)
5 GLY A 168
GLY A   4
GLY A 129
GLY A 127
ASP A 174
None
NAG  A1451 ( 4.8A)
None
None
None
1.14A 1mxdA-1fy1A:
0.0
1mxdA-1fy1A:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fy1 HEPARIN-BINDING
PROTEIN


(Homo sapiens)
PF00089
(Trypsin)
5 GLY A 197
GLY A   3
GLY A 129
GLY A 127
ASP A 174
None
1.22A 1mxdA-1fy1A:
0.0
1mxdA-1fy1A:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1mxdA-1h2uX:
undetectable
1mxdA-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.
1iip CYCLOPHILIN 40

(Bos taurus)
PF00160
(Pro_isomerase)
PF13176
(TPR_7)
5 GLU A  96
GLY A  63
GLY A  94
GLY A  95
ASP A  86
None
1.20A 1mxdA-1iipA:
0.0
1mxdA-1iipA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k4q GLUTATHIONE
REDUCTASE


(Homo sapiens)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 GLY A  62
GLY A 158
GLY A 157
ASP A 331
ARG A 291
FAD  A 499 ( 3.7A)
None
FAD  A 499 (-3.4A)
FAD  A 499 (-2.9A)
FAD  A 499 (-3.8A)
1.11A 1mxdA-1k4qA:
1.1
1mxdA-1k4qA:
21.54
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.
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
1.11A 1mxdA-1k7hA:
0.0
1mxdA-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
1.10A 1mxdA-1lrwA:
0.0
1mxdA-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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina)
PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2)
5 GLY A 382
GLY A 250
GLY A 249
ASP A 232
ARG A 246
None
1.12A 1mxdA-1m64A:
undetectable
1mxdA-1m64A:
22.15
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)
9 GLY A   9
LYS A 241
PRO A 278
GLU A 307
GLY A 308
GLY A 338
GLY A 339
ASP A 358
ARG A 361
None
0.20A 1mxdA-1mwoA:
67.0
1mxdA-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   9
LYS A 241
PRO A 278
GLY A 308
GLY A 339
ASP A 358
None
1.12A 1mxdA-1mwoA:
67.0
1mxdA-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)
5 GLY A  10
GLY A 338
GLY A 339
ASP A 358
ARG A 361
None
0.74A 1mxdA-1mwoA:
67.0
1mxdA-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
1.22A 1mxdA-1mwoA:
67.0
1mxdA-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
1.01A 1mxdA-1oh2Q:
undetectable
1mxdA-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.
1pzn DNA REPAIR AND
RECOMBINATION
PROTEIN RAD51


(Pyrococcus
furiosus)
PF08423
(Rad51)
PF14520
(HHH_5)
5 GLY A 163
GLY A 111
GLY A 127
GLY A 126
ASP A 121
None
1.16A 1mxdA-1pznA:
undetectable
1mxdA-1pznA:
20.43
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.
1ukc ESTA

(Aspergillus
niger)
PF00135
(COesterase)
5 GLY A 214
GLU A 237
GLY A 208
GLY A 333
ASP A 334
None
0.98A 1mxdA-1ukcA:
undetectable
1mxdA-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)
0.98A 1mxdA-1vheA:
undetectable
1mxdA-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
1.12A 1mxdA-1w6sA:
undetectable
1mxdA-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.
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
1.09A 1mxdA-2bb0A:
7.2
1mxdA-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
1.07A 1mxdA-2d0vA:
undetectable
1mxdA-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
1.12A 1mxdA-2gezB:
undetectable
1mxdA-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
1.00A 1mxdA-2hlpA:
undetectable
1mxdA-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 1mxdA-2hqmA:
undetectable
1mxdA-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.
2i0z NAD(FAD)-UTILIZING
DEHYDROGENASES


(Bacillus cereus)
PF03486
(HI0933_like)
5 GLY A 177
GLU A 388
GLY A 164
GLY A 363
GLY A 362
None
FAD  A 501 (-3.8A)
FAD  A 501 (-3.3A)
None
None
0.98A 1mxdA-2i0zA:
undetectable
1mxdA-2i0zA:
21.03
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.
2j7p CELL DIVISION
PROTEIN FTSY


(Thermus
aquaticus)
PF00448
(SRP54)
PF02881
(SRP54_N)
5 GLY D 112
GLY D 145
GLY D 146
ASP D 139
ARG D 142
GNP  D1400 (-3.5A)
None
None
GNP  D1400 ( 4.7A)
GNP  D1400 ( 3.9A)
1.19A 1mxdA-2j7pD:
3.5
1mxdA-2j7pD:
20.98
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.
2j7p CELL DIVISION
PROTEIN FTSY


(Thermus
aquaticus)
PF00448
(SRP54)
PF02881
(SRP54_N)
5 GLY D 112
LYS D 256
GLY D 145
ASP D 139
ARG D 142
GNP  D1400 (-3.5A)
GNP  D1400 (-3.8A)
None
GNP  D1400 ( 4.7A)
GNP  D1400 ( 3.9A)
1.18A 1mxdA-2j7pD:
3.5
1mxdA-2j7pD:
20.98
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.
2jir PERIPLASMIC NITRATE
REDUCTASE


(Desulfovibrio
desulfuricans)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
5 GLY A 472
PRO A 137
GLY A 110
GLY A 356
GLY A 357
None
CYN  A 813 ( 4.6A)
None
None
None
1.20A 1mxdA-2jirA:
undetectable
1mxdA-2jirA:
19.75
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.
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
0.90A 1mxdA-2puzA:
6.2
1mxdA-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
0.95A 1mxdA-2q17A:
undetectable
1mxdA-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.
2q17 FORMYLGLYCINE
GENERATING ENZYME


(Streptomyces
coelicolor)
PF03781
(FGE-sulfatase)
5 GLY A 295
PRO A 140
GLY A 298
GLY A 268
GLY A 231
None
1.14A 1mxdA-2q17A:
undetectable
1mxdA-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.
2zux YESW PROTEIN

(Bacillus
subtilis)
no annotation 5 GLY A 273
GLU A  43
GLY A 157
GLY A 227
ASP A 226
None
None
None
None
CA  A 633 (-2.9A)
1.17A 1mxdA-2zuxA:
undetectable
1mxdA-2zuxA:
22.26
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.
2zuy YESX PROTEIN

(Bacillus
subtilis)
PF01839
(FG-GAP)
5 GLY A 240
GLU A   9
GLY A 124
GLY A 194
ASP A 193
None
None
None
None
CA  A 624 (-3.0A)
1.19A 1mxdA-2zuyA:
undetectable
1mxdA-2zuyA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like)
5 GLY A 355
GLU A 588
GLY A 585
GLY A 112
GLY A 114
None
1.18A 1mxdA-3abzA:
1.2
1mxdA-3abzA:
18.82
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.
3b4w ALDEHYDE
DEHYDROGENASE


(Mycobacterium
tuberculosis)
PF00171
(Aldedh)
5 GLY A 346
GLU A 340
GLY A 341
GLY A 357
GLY A 358
None
1.00A 1mxdA-3b4wA:
undetectable
1mxdA-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
1.13A 1mxdA-3bb7A:
undetectable
1mxdA-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
0.94A 1mxdA-3bt6A:
undetectable
1mxdA-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)
1.10A 1mxdA-3c10A:
undetectable
1mxdA-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)
1.05A 1mxdA-3dgzA:
undetectable
1mxdA-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.
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
1.13A 1mxdA-3g7mA:
undetectable
1mxdA-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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2


(Thermus
thermophilus)
PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S)
5 GLY 1 194
PRO 2  19
GLU 2  21
GLY 2  22
GLY 1 213
None
1.05A 1mxdA-3i9v1:
undetectable
1mxdA-3i9v1:
19.28
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.
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)
0.99A 1mxdA-3kl9A:
undetectable
1mxdA-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)
1.07A 1mxdA-3maxA:
undetectable
1mxdA-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
1.02A 1mxdA-3myrA:
undetectable
1mxdA-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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa)
PF00491
(Arginase)
5 GLY A 256
PRO A 290
GLY A  56
GLY A 127
GLY A 126
None
1.07A 1mxdA-3nioA:
undetectable
1mxdA-3nioA:
21.13
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)
7 GLY A   9
LYS A 241
PRO A 278
GLU A 307
GLY A 308
GLY A 338
GLY A 339
BCD  A 601 (-3.7A)
BCD  A 601 (-2.4A)
BCD  A 601 (-4.0A)
BCD  A 601 (-2.9A)
BCD  A 601 (-3.5A)
BCD  A 601 ( 3.7A)
BCD  A 601 (-3.5A)
0.17A 1mxdA-3qgvA:
65.1
1mxdA-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)
5 LYS A 241
PRO A 278
GLU A 307
GLY A 308
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 (-3.5A)
0.92A 1mxdA-3qgvA:
65.1
1mxdA-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.
3rd8 FUMARATE HYDRATASE
CLASS II


(Mycolicibacterium
smegmatis)
PF00206
(Lyase_1)
PF10415
(FumaraseC_C)
5 GLY A  53
GLY A  82
GLY A  87
ASP A  90
ARG A  46
None
1.20A 1mxdA-3rd8A:
undetectable
1mxdA-3rd8A:
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.
3s6h N-ACETYLGLUTAMATE
KINASE /
N-ACETYLGLUTAMATE
SYNTHASE


(Maricaulis
maris)
PF00696
(AA_kinase)
PF04768
(NAT)
5 GLY A 153
GLU A 180
GLY A 179
GLY A 184
ASP A 183
None
1.18A 1mxdA-3s6hA:
undetectable
1mxdA-3s6hA:
21.59
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.
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
0.81A 1mxdA-3ve2A:
undetectable
1mxdA-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.
3vex O-CARBAMOYLTRANSFERA
SE TOBZ


(Streptoalloteichus
tenebrarius)
PF02543
(Carbam_trans_N)
PF16861
(Carbam_trans_C)
5 GLY A  70
GLY A 340
GLY A 309
GLY A 310
ASP A 137
None
None
CA0  A 602 ( 4.0A)
CA0  A 602 (-3.2A)
FE2  A 601 ( 3.3A)
1.04A 1mxdA-3vexA:
1.5
1mxdA-3vexA:
21.67
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.
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
0.97A 1mxdA-3vnsA:
undetectable
1mxdA-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)
0.94A 1mxdA-3vthA:
undetectable
1mxdA-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
0.99A 1mxdA-3ze6A:
undetectable
1mxdA-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.
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
1.01A 1mxdA-4bguA:
undetectable
1mxdA-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.
4bkx HISTONE DEACETYLASE
1


(Homo sapiens)
PF00850
(Hist_deacetyl)
5 GLY B 149
PRO B  29
GLY B 301
GLY B 302
ASP B 264
None
None
ACT  B 601 (-3.4A)
None
ZN  B 600 ( 2.5A)
1.14A 1mxdA-4bkxB:
undetectable
1mxdA-4bkxB:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.02A 1mxdA-4cakB:
undetectable
1mxdA-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 1mxdA-4cbyA:
undetectable
1mxdA-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.
4gw9 BACTERIOPHYTOCHROME

(Rhodopseudomonas
palustris)
PF00360
(PHY)
PF00989
(PAS)
PF01590
(GAF)
PF08446
(PAS_2)
5 GLY A 178
GLU A 174
GLY A 176
ASP A 481
ARG A 440
None
1.09A 1mxdA-4gw9A:
undetectable
1mxdA-4gw9A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana)
PF03098
(An_peroxidase)
5 GLY A 470
GLU A 428
GLY A 424
GLY A 258
ASP A 255
None
1.22A 1mxdA-4hhrA:
undetectable
1mxdA-4hhrA:
18.95
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.
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
1.00A 1mxdA-4jggA:
undetectable
1mxdA-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.
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
0.99A 1mxdA-4ko2S:
undetectable
1mxdA-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
1.03A 1mxdA-4kqcA:
undetectable
1mxdA-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
1.06A 1mxdA-4maeA:
undetectable
1mxdA-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.
4on1 PUTATIVE
METALLOPROTEASE II


(Bacteroides
fragilis)
PF00413
(Peptidase_M10)
PF16376
(fragilysinNterm)
5 GLY A 312
GLY A 307
GLY A 271
GLY A 270
ASP A 274
None
1.12A 1mxdA-4on1A:
undetectable
1mxdA-4on1A:
20.17
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.
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
1.04A 1mxdA-4opeA:
undetectable
1mxdA-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.
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
0.75A 1mxdA-4q51A:
undetectable
1mxdA-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.
4ucw HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA


(Desulfovibrio
fructosivorans)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
5 GLY A 247
PRO A 145
GLY A 146
GLY A 119
GLY A 118
F3S  A1266 (-4.6A)
None
None
None
None
1.05A 1mxdA-4ucwA:
undetectable
1mxdA-4ucwA:
22.10
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.
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 1mxdA-4wkyA:
undetectable
1mxdA-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.
4wsh UROPORPHYRINOGEN
DECARBOXYLASE


(Pseudomonas
aeruginosa)
PF01208
(URO-D)
5 GLY A 201
GLY A 196
GLY A 123
ASP A 127
ARG A 130
None
1.22A 1mxdA-4wshA:
5.6
1mxdA-4wshA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1mxdA-4zrmA:
undetectable
1mxdA-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.
5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK


(Cupriavidus
necator)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
5 GLY A 287
PRO A 184
GLY A 185
GLY A 150
GLY A 149
SF4  A 502 ( 4.1A)
None
None
None
None
1.05A 1mxdA-5aa5A:
undetectable
1mxdA-5aa5A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.04A 1mxdA-5dotA:
undetectable
1mxdA-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)
0.88A 1mxdA-5ds0A:
undetectable
1mxdA-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.
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
1.13A 1mxdA-5fkrA:
undetectable
1mxdA-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 582
PRO A 464
GLY A 743
GLY A 744
ASP A 705
E1Z  A1801 (-3.6A)
None
ZN  A1804 ( 4.2A)
None
ZN  A1804 ( 2.5A)
1.14A 1mxdA-5g0hA:
undetectable
1mxdA-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.
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)
1.18A 1mxdA-5g0hA:
undetectable
1mxdA-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.
5hca CALRETICULIN,CALRETI
CULIN


(Entamoeba
histolytica)
no annotation 5 GLY C  94
LYS C  47
GLY C 319
GLY C  98
GLY C  99
None
1.11A 1mxdA-5hcaC:
undetectable
1mxdA-5hcaC:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.14A 1mxdA-5hy7A:
undetectable
1mxdA-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
1.03A 1mxdA-5ilbA:
undetectable
1mxdA-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 1mxdA-5ji5A:
undetectable
1mxdA-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
0.99A 1mxdA-5jsyA:
undetectable
1mxdA-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.
5jwz CELLULOSE-BINDING
FAMILY II


(Streptomyces
sp. SirexAA-E)
PF02012
(BNR)
5 GLY A 132
PRO A  24
GLY A 130
GLY A 123
GLY A 124
None
1.14A 1mxdA-5jwzA:
undetectable
1mxdA-5jwzA:
21.79
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.
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
0.71A 1mxdA-5l8vA:
undetectable
1mxdA-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
0.94A 1mxdA-5svcA:
undetectable
1mxdA-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)
1.10A 1mxdA-5td7A:
undetectable
1mxdA-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)
1.13A 1mxdA-5te1A:
2.0
1mxdA-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.
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)
1.08A 1mxdA-5v36A:
undetectable
1mxdA-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)
1.07A 1mxdA-5vdnA:
undetectable
1mxdA-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.
5wdh KINESIN-LIKE PROTEIN
KIFC1


(Homo sapiens)
PF00225
(Kinesin)
5 PRO A 435
GLU A 431
GLY A 432
GLY A 425
GLY A 426
None
None
None
UNX  A 804 ( 3.2A)
UNX  A 804 ( 4.2A)
1.19A 1mxdA-5wdhA:
undetectable
1mxdA-5wdhA:
19.68
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.
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 1mxdA-5x9rA:
undetectable
1mxdA-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
1.15A 1mxdA-5xm3A:
undetectable
1mxdA-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
1.06A 1mxdA-5xvdS:
undetectable
1mxdA-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.
6en9 HYDROGENASE-2 SMALL
CHAIN


(Escherichia
coli)
no annotation 5 GLY S 218
PRO S 254
GLY S 252
GLY S 211
ASP S 212
None
1.18A 1mxdA-6en9S:
undetectable
1mxdA-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.
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
1.05A 1mxdA-6en9S:
undetectable
1mxdA-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.
6eot DIPEPTIDYL PEPTIDASE
8


(Homo sapiens)
no annotation 5 PRO A 799
GLU A 793
GLY A 797
GLY A 790
ASP A 788
None
1.17A 1mxdA-6eotA:
undetectable
1mxdA-6eotA:
11.17
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.
6f45 -

(-)
no annotation 5 GLY D 156
PRO D 194
GLY D 170
GLY D 129
GLY D 152
None
1.20A 1mxdA-6f45D:
undetectable
1mxdA-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.
6f45 -

(-)
no annotation 5 GLY D 209
PRO D 128
GLY D 117
GLY D 157
GLY D 125
None
1.11A 1mxdA-6f45D:
undetectable
1mxdA-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.
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 1mxdA-6g2jF:
undetectable
1mxdA-6g2jF:
13.29