SIMILAR PATTERNS OF AMINO ACIDS FOR 1MXD_A_ACRA734_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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 ASN A 266
TRP A 385
HIS A 315
GLY A 268
 None
 1.30A 1mxdA-1jaeA:
30.3		 1mxdA-1jaeA:
23.69
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.
1ly7 FRATAXIN

(Homo sapiens) 		PF01491
(Frataxin_Cyay) 		4 ASN A 172
TRP A 168
TYR A 205
GLY A 207
 None
 1.33A 1mxdA-1ly7A:
undetectable		 1mxdA-1ly7A:
15.72
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 TRP D 371
HIS D 344
TYR D 376
GLY D 378
 None
 1.42A 1mxdA-1mhzD:
undetectable		 1mxdA-1mhzD:
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		4 TRP D 371
HIS D 344
TYR D 376
GLY D 378
 None
 1.35A 1mxdA-1mtyD:
undetectable		 1mxdA-1mtyD:
22.51
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 ASN A 328
TRP A 331
HIS A 390
TYR A 392
GLY A 394
TRP A 399
 None
 0.27A 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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 TRP A 246
TYR A 243
GLY A 237
TRP A 232
 None
 1.41A 1mxdA-1ycgA:
undetectable		 1mxdA-1ycgA:
23.61
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.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 TRP X 246
HIS X 319
TYR X 252
GLY X 254
 None
 1.24A 1mxdA-2b5dX:
4.4		 1mxdA-2b5dX:
22.52
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.
2bwp 5-AMINOLEVULINATE
SYNTHASE

(Rhodobacter
capsulatus) 		PF00155
(Aminotran_1_2) 		4 ASN A 362
HIS A  15
TYR A  20
GLY A  18
 None
 1.45A 1mxdA-2bwpA:
undetectable		 1mxdA-2bwpA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eyn ALPHA-ACTININ 1

(Homo sapiens) 		PF00307
(CH) 		4 ASN A 163
HIS A 184
TYR A 161
GLY A 194
 None
 1.39A 1mxdA-2eynA:
undetectable		 1mxdA-2eynA:
18.76
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.
2iex DIHYDROXYNAPTHOIC
ACID SYNTHETASE

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		4 ASN A 136
HIS A  33
TYR A 116
GLY A  67
 None
 1.06A 1mxdA-2iexA:
2.6		 1mxdA-2iexA:
19.36
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 TRP A 357
HIS A 329
TYR A 362
GLY A 364
 None
 1.29A 1mxdA-2incA:
undetectable		 1mxdA-2incA:
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.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		4 ASN A 128
HIS A  67
TYR A  93
GLY A  90
 None
SAH  A 301 (-3.9A)
None
SAH  A 301 (-3.4A)
 1.22A 1mxdA-2pbfA:
undetectable		 1mxdA-2pbfA:
19.15
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.
2pbz HYPOTHETICAL PROTEIN

(Thermococcus
kodakarensis) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		4 ASN A 214
HIS A 253
TYR A 172
GLY A 271
 None
None
ATP  A 400 (-4.7A)
None
 1.24A 1mxdA-2pbzA:
undetectable		 1mxdA-2pbzA:
20.13
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		4 ASN A 505
TRP A 504
GLY A 712
TRP A 388
 None
 1.25A 1mxdA-2pggA:
undetectable		 1mxdA-2pggA:
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.
2pxj JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 ASN A 149
TRP A  53
HIS A 201
TYR A 199
 None
 1.36A 1mxdA-2pxjA:
undetectable		 1mxdA-2pxjA:
22.33
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.
2w2i 2-OXOGLUTARATE
OXYGENASE

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 ASN A 150
TRP A  54
HIS A 202
TYR A 200
 None
 1.34A 1mxdA-2w2iA:
undetectable		 1mxdA-2w2iA:
18.14
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.
2yva DNAA
INITIATOR-ASSOCIATIN
G PROTEIN DIAA

(Escherichia
coli) 		PF13580
(SIS_2) 		4 ASN A 121
HIS A 166
TYR A 145
GLY A 147
 None
 1.29A 1mxdA-2yvaA:
undetectable		 1mxdA-2yvaA:
17.80
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 TRP A 353
HIS A 403
TYR A 404
GLY A 408
 None
 1.25A 1mxdA-3a24A:
10.5		 1mxdA-3a24A:
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.
3bf8 ESTERASE YBFF

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		4 HIS A 234
TYR A 208
GLY A 203
TRP A 235
 MLA  A4892 ( 4.8A)
MLA  A4892 (-4.6A)
None
None
 1.35A 1mxdA-3bf8A:
undetectable		 1mxdA-3bf8A:
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.
3fpl NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASN A 264
HIS A  42
TYR A 267
GLY A 243
 None
 1.40A 1mxdA-3fplA:
undetectable		 1mxdA-3fplA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipl 2-SUCCINYLBENZOATE--
COA LIGASE

(Staphylococcus
aureus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASN A  55
HIS A 213
TYR A 212
GLY A 216
 None
 1.35A 1mxdA-3iplA:
undetectable		 1mxdA-3iplA:
18.93
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.
3lpd ACIDIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE APRV2

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 TRP A  26
HIS A 282
TYR A  14
GLY A  19
 None
 1.39A 1mxdA-3lpdA:
2.2		 1mxdA-3lpdA:
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.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		4 ASN A 266
TRP A 240
TYR A 292
GLY A 268
 None
None
ZN  A 999 ( 4.9A)
None
 1.41A 1mxdA-3lunA:
undetectable		 1mxdA-3lunA:
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.
3pig BETA-FRUCTOFURANOSID
ASE

(Bifidobacterium
longum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASN A  53
HIS A 132
GLY A  79
TRP A 134
 None
 1.26A 1mxdA-3pigA:
undetectable		 1mxdA-3pigA:
23.30
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 ASN A 328
TRP A 331
HIS A 390
TYR A 392
GLY A 394
TRP A 399
 None
 0.50A 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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 ASN A  23
TRP A  26
TYR A  14
GLY A  16
 None
 1.31A 1mxdA-3ti7A:
1.8		 1mxdA-3ti7A:
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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 TRP A  26
HIS A 282
TYR A  14
GLY A  19
 None
 1.38A 1mxdA-3ti7A:
1.8		 1mxdA-3ti7A:
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.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		4 ASN A 117
TRP A 121
HIS A 369
GLY A  99
 None
HEM  A 500 (-3.9A)
HEM  A 500 (-3.8A)
None
 1.36A 1mxdA-3tk3A:
undetectable		 1mxdA-3tk3A:
22.85
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		4 ASN A  55
TYR A  54
GLY A  57
TRP A 110
 SO4  A 803 (-3.8A)
None
None
None
 1.23A 1mxdA-3wnpA:
13.0		 1mxdA-3wnpA:
20.37
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.
4c4b SUPEROXIDE REDUCTASE

(Archaeoglobus
fulgidus) 		PF01880
(Desulfoferrodox) 		4 TRP A   9
HIS A  14
GLY A  35
TRP A 116
 None
FE2  A1001 (-3.4A)
None
None
 1.48A 1mxdA-4c4bA:
undetectable		 1mxdA-4c4bA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		4 ASN A 195
HIS A 109
TYR A 157
GLY A 153
 None
ZN  A 301 ( 3.3A)
GK8  A 305 (-4.6A)
None
 1.11A 1mxdA-4gk8A:
2.9		 1mxdA-4gk8A:
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.
4h9d HNH ENDONUCLEASE

(Geobacter
metallireducens) 		PF14279
(HNH_5) 		4 TRP A  88
HIS A  39
TYR A  40
GLY A  42
 None
 1.33A 1mxdA-4h9dA:
undetectable		 1mxdA-4h9dA:
11.42
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.
4hoo LYSINE-SPECIFIC
DEMETHYLASE 4D

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 ASN A 153
TRP A  57
HIS A 205
TYR A 203
 None
 1.34A 1mxdA-4hooA:
undetectable		 1mxdA-4hooA:
18.74
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.
4lxl LYSINE-SPECIFIC
DEMETHYLASE 4B

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 ASN A 150
TRP A  54
HIS A 202
TYR A 200
 None
 1.33A 1mxdA-4lxlA:
undetectable		 1mxdA-4lxlA:
20.96
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.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN A

(Pseudomonas
mendocina) 		PF02332
(Phenol_Hydrox) 		4 TRP A 357
HIS A 329
TYR A 362
GLY A 364
 None
 1.39A 1mxdA-4p1cA:
undetectable		 1mxdA-4p1cA:
23.62
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.
4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP2
COXSACKIEVIRUS
CAPSID PROTEIN VP3

(Enterovirus C) 		PF00073
(Rhv) 		4 ASN 2 188
HIS 3 229
TYR 3  96
GLY 3 100
 None
 1.39A 1mxdA-4q4y2:
undetectable		 1mxdA-4q4y2:
21.27
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.
4qrj PUTATIVE
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
uniformis) 		PF10282
(Lactonase) 		4 ASN A  87
HIS A 172
TYR A 133
GLY A 135
 None
 1.43A 1mxdA-4qrjA:
undetectable		 1mxdA-4qrjA:
21.78
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.
4quv DELTA(14)-STEROL
REDUCTASE

(Methylomicrobium
alcaliphilum) 		PF01222
(ERG4_ERG24) 		4 ASN A 305
TYR A 241
GLY A 236
TRP A 209
 None
 1.47A 1mxdA-4quvA:
undetectable		 1mxdA-4quvA:
22.18
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.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		4 TRP A 743
HIS A 425
TYR A 293
GLY A 289
 None
 1.44A 1mxdA-4rbnA:
undetectable		 1mxdA-4rbnA:
19.38
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.
4uss GLUTATHIONYL
HYDROQUINONE
REDUCTASE

(Populus
trichocarpa) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 HIS A 292
TYR A 293
GLY A 295
TRP A  77
 None
None
None
GSH  A 500 ( 4.1A)
 0.90A 1mxdA-4ussA:
undetectable		 1mxdA-4ussA:
22.05
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.
4xdo LYSINE-SPECIFIC
DEMETHYLASE 4C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 ASN A 151
TRP A  55
HIS A 203
TYR A 201
 None
 1.40A 1mxdA-4xdoA:
undetectable		 1mxdA-4xdoA:
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.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		4 ASN A 324
TRP A 323
GLY A 398
TRP A 308
 None
 1.47A 1mxdA-5aeeA:
12.8		 1mxdA-5aeeA:
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.
5c5h 2-SUCCINYLBENZOATE--
COA LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASN A  61
TRP A  60
HIS A 186
GLY A 189
 None
 1.49A 1mxdA-5c5hA:
undetectable		 1mxdA-5c5hA:
22.44
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.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		4 ASN A 475
TRP A  52
TYR A 525
GLY A 452
 None
 1.43A 1mxdA-5fwjA:
undetectable		 1mxdA-5fwjA:
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.
5hvm ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		4 TRP A 123
HIS A  96
TYR A 126
GLY A  99
 None
 1.50A 1mxdA-5hvmA:
2.2		 1mxdA-5hvmA:
21.96
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.
5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Flavobacterium
psychrophilum) 		PF10459
(Peptidase_S46) 		4 ASN A 643
HIS A  62
TYR A 267
GLY A 269
 None
 0.99A 1mxdA-5jxfA:
undetectable		 1mxdA-5jxfA:
20.77
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.
5loi RAD26

(Thermothelomyces
thermophila) 		PF12331
(DUF3636) 		4 ASN A 516
HIS A 455
TYR A 454
GLY A 451
 None
 1.19A 1mxdA-5loiA:
undetectable		 1mxdA-5loiA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v9p LYSINE-SPECIFIC
DEMETHYLASE 5A

(Homo sapiens) 		PF00628
(PHD)
PF01388
(ARID)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
PF08429
(PLU-1) 		4 ASN A 444
TRP A  57
TYR A 494
GLY A 421
 None
 1.41A 1mxdA-5v9pA:
undetectable		 1mxdA-5v9pA:
18.76
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.
5xde THERMOPHILIC
DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME C

(Paenibacillus
sp. A11-2) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		4 ASN A  97
HIS A  89
TYR A  93
GLY A 161
 None
FMN  A 501 (-3.5A)
FMN  A 501 (-3.9A)
None
 1.49A 1mxdA-5xdeA:
undetectable		 1mxdA-5xdeA:
19.61
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.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 4 ASN A 116
TRP A 120
HIS A 368
GLY A  98
 None
HEM  A 504 (-4.0A)
HEM  A 504 (-3.8A)
None
 1.28A 1mxdA-5xxiA:
undetectable		 1mxdA-5xxiA:
19.88
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.
5y9p -

(-) 		no annotation 4 ASN A 223
HIS A 244
TYR A 218
GLY A 227
 None
 1.38A 1mxdA-5y9pA:
undetectable		 1mxdA-5y9pA:
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 4 TRP A 171
HIS A 430
TYR A 158
GLY A 164
 None
 1.42A 1mxdA-5yl7A:
2.2		 1mxdA-5yl7A:
13.57
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.
6bgz LYSINE-SPECIFIC
DEMETHYLASE 5A,
LINKED KDM5A JMJ
DOMAIN

(Homo sapiens) 		no annotation 4 ASN A 444
TRP A  57
TYR A 494
GLY A 421
 None
 1.48A 1mxdA-6bgzA:
undetectable		 1mxdA-6bgzA:
9.50
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 4 ASN A 460
TRP A  70
HIS A 512
TYR A 510
 None
 1.50A 1mxdA-6ek6A:
undetectable		 1mxdA-6ek6A:
10.45
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 4 ASN A 460
TRP A  70
TYR A 510
GLY A 437
 None
 1.39A 1mxdA-6ek6A:
undetectable		 1mxdA-6ek6A:
10.45
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.
6gbg OUTER MEMBRANE
PROTEIN

(Helicobacter
pylori) 		no annotation 4 ASN A 113
HIS A 142
TYR A 144
GLY A 133
 None
 1.26A 1mxdA-6gbgA:
undetectable		 1mxdA-6gbgA:
11.78
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.
6gbg OUTER MEMBRANE
PROTEIN

(Helicobacter
pylori) 		no annotation 4 ASN A 113
HIS A 142
TYR A 144
GLY A 146
 None
 0.94A 1mxdA-6gbgA:
undetectable		 1mxdA-6gbgA:
11.78