SIMILAR PATTERNS OF AMINO ACIDS FOR 4PXM_B_ESTB2000

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.
1eys PHOTOSYNTHETIC
REACTION CENTER

(Thermochromatium
tepidum) 		PF00124
(Photo_RC) 		5 LEU L 246
ALA L 245
ILE L 237
HIS L 198
LEU L 195
 None
BPH  L 606 ( 4.9A)
None
None
None
 1.20A 4pxmB-1eysL:
0.3		 4pxmB-1eysL:
21.05
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 LEU A 281
ALA A 282
LEU A   2
ILE A  41
GLY A  40
 None
 1.06A 4pxmB-1fobA:
undetectable		 4pxmB-1fobA:
22.41
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.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		6 LEU A  49
ALA A  46
LEU A  60
ILE A 100
GLY A  66
LEU A  67
 None
 1.20A 4pxmB-1i0aA:
0.3		 4pxmB-1i0aA:
23.04
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.
1j3m THE CONSERVED
HYPOTHETICAL PROTEIN
TT1751

(Thermus
thermophilus) 		PF03625
(DUF302) 		5 LEU A  61
ALA A  62
LEU A  76
GLY A  55
LEU A  31
 None
 1.23A 4pxmB-1j3mA:
undetectable		 4pxmB-1j3mA:
19.85
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.
1n7g GDP-D-MANNOSE-4,6-DE
HYDRATASE

(Arabidopsis
thaliana) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A 354
ALA A 355
GLU A 358
ILE A 229
LEU A 298
 None
 1.08A 4pxmB-1n7gA:
undetectable		 4pxmB-1n7gA:
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.
1nkl NK-LYSIN

(Sus scrofa) 		PF05184
(SapB_1) 		5 MET A  49
GLU A  24
LEU A  61
ILE A  69
LEU A  14
 None
 0.98A 4pxmB-1nklA:
0.5		 4pxmB-1nklA:
14.45
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.
1p5s RAS
GTPASE-ACTIVATING-LI
KE PROTEIN RNG2

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		5 LEU A 143
LEU A  78
ILE A 104
GLY A  72
LEU A  69
 HG  A 191 ( 4.8A)
None
None
None
None
 0.99A 4pxmB-1p5sA:
0.0		 4pxmB-1p5sA:
22.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 MET A 343
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 ( 4.8A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.23A 4pxmB-1pcgA:
37.6		 4pxmB-1pcgA:
98.36
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.
1q5q PROTEASOME
ALPHA-TYPE SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 MET A  13
LEU A  19
ALA A  20
GLU A 119
GLY A 108
 None
 1.01A 4pxmB-1q5qA:
undetectable		 4pxmB-1q5qA:
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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
PROTEIN C

([Haemophilus]
ducreyi) 		PF03498
(CDtoxinA) 		5 LEU C 132
LEU C  79
ILE C 118
GLY C  83
LEU C  85
 None
 1.22A 4pxmB-1sr4C:
undetectable		 4pxmB-1sr4C:
20.07
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.
1ukw ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 141
MET A  93
GLY A  80
HIS A  77
LEU A  82
 None
 1.14A 4pxmB-1ukwA:
0.0		 4pxmB-1ukwA:
20.10
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.
1wue MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A1210
ALA A1211
ARG A1178
ILE A1135
GLY A1134
 None
 1.08A 4pxmB-1wueA:
undetectable		 4pxmB-1wueA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wzz PROBABLE
ENDOGLUCANASE

(Komagataeibacter
xylinus) 		PF01270
(Glyco_hydro_8) 		5 LEU A 300
ALA A 301
GLU A 304
LEU A 314
ILE A  33
 None
 0.97A 4pxmB-1wzzA:
undetectable		 4pxmB-1wzzA:
21.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 327
GLU A 331
LEU A 365
ARG A 372
HIS A 494
 None
 0.52A 4pxmB-1xb7A:
28.9		 4pxmB-1xb7A:
32.72
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
LEU A 283
ARG A 290
ILE A 402
GLY A 403
 9CR  A 201 (-3.6A)
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
None
None
 0.97A 4pxmB-1xiuA:
23.3		 4pxmB-1xiuA:
28.37
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.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 345
LEU A 436
 9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 ( 4.5A)
9CR  A 801 (-4.7A)
 1.02A 4pxmB-1xlsA:
25.5		 4pxmB-1xlsA:
29.15
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.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
None
None
 1.04A 4pxmB-1xlsA:
25.5		 4pxmB-1xlsA:
29.15
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.
1y7i SALICYLIC
ACID-BINDING PROTEIN
2

(Nicotiana
tabacum) 		PF12697
(Abhydrolase_6) 		5 MET A 239
LEU A 248
LEU A   9
GLY A  16
HIS A  15
 None
 1.18A 4pxmB-1y7iA:
undetectable		 4pxmB-1y7iA:
23.10
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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE

(Spinacia
oleracea) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 LEU I 224
ILE I 412
GLY I 231
HIS I 232
LEU I 233
 None
 1.16A 4pxmB-1yveI:
undetectable		 4pxmB-1yveI:
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		5 LEU C 432
GLU C 349
ARG C 353
GLY C 454
HIS B  23
 None
 1.23A 4pxmB-2advC:
undetectable		 4pxmB-2advC:
19.37
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.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ALA A 609
GLU A 608
LEU A 519
ILE A 594
GLY A 582
 None
 1.23A 4pxmB-2bucA:
undetectable		 4pxmB-2bucA:
15.25
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.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 LEU A 106
ALA A 105
ILE A 142
GLY A  42
HIS A  94
 None
 1.00A 4pxmB-2e4uA:
undetectable		 4pxmB-2e4uA:
20.70
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.
2f2f CYTOLETHAL
DISTENDING TOXIN C

(Aggregatibacter
actinomycetemcomitans) 		PF03498
(CDtoxinA) 		5 LEU C 132
LEU C  79
ILE C 118
GLY C  83
LEU C  85
 None
 1.23A 4pxmB-2f2fC:
undetectable		 4pxmB-2f2fC:
23.31
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.
2fe1 CONSERVED
HYPOTHETICAL PROTEIN
PAE0151

(Pyrobaculum
aerophilum) 		PF01850
(PIN) 		5 LEU A  38
ALA A  39
GLU A  42
HIS A  34
LEU A  75
 None
 1.14A 4pxmB-2fe1A:
undetectable		 4pxmB-2fe1A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fvg ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 ALA A 160
GLU A 155
LEU A 315
GLY A 239
LEU A 238
 None
 1.16A 4pxmB-2fvgA:
undetectable		 4pxmB-2fvgA:
23.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 271
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 ( 4.4A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.54A 4pxmB-2gpvA:
26.7		 4pxmB-2gpvA:
34.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 MET A 343
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.37A 4pxmB-2ocfA:
37.0		 4pxmB-2ocfA:
93.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pmp 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Arabidopsis
thaliana) 		PF02542
(YgbB) 		5 LEU A  86
ALA A  83
GLU A  82
GLY A 124
LEU A 123
 None
 1.09A 4pxmB-2pmpA:
undetectable		 4pxmB-2pmpA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjt NICOTINAMIDE-NUCLEOT
IDE
ADENYLYLTRANSFERASE

(Francisella
tularensis) 		no annotation 5 LEU B 329
GLU B 330
ARG B 282
ILE B 247
GLY B 290
 None
 1.10A 4pxmB-2qjtB:
undetectable		 4pxmB-2qjtB:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vmx SERINE
HYDROXYMETHYLTRANSFE
RASE

(Geobacillus
stearothermophilus) 		PF00464
(SHMT) 		5 LEU A 313
ALA A 289
ILE A 177
HIS A 210
LEU A 204
 None
 1.11A 4pxmB-2vmxA:
undetectable		 4pxmB-2vmxA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7x SENSOR PROTEIN

(Bacteroides
thetaiotaomicron) 		PF13407
(Peripla_BP_4) 		5 ALA A 201
GLU A 204
LEU A 160
ILE A 247
GLY A 246
 None
 0.89A 4pxmB-2x7xA:
undetectable		 4pxmB-2x7xA:
21.53
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.
2y0s RNA POLYMERASE
SUBUNIT 4

(Sulfolobus
shibatae) 		PF00575
(S1)
PF03876
(SHS2_Rpb7-N) 		5 LEU E 169
ALA E 144
LEU E 162
ILE E 110
GLY E  96
 None
 1.19A 4pxmB-2y0sE:
undetectable		 4pxmB-2y0sE:
18.80
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.
2yy5 TRYPTOPHANYL-TRNA
SYNTHETASE

(Mycoplasma
pneumoniae) 		PF00579
(tRNA-synt_1b) 		5 ALA A 288
GLU A 291
LEU A 265
GLY A 270
LEU A 273
 None
 1.23A 4pxmB-2yy5A:
undetectable		 4pxmB-2yy5A:
22.99
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.
2zkj [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 4

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		5 GLU A 373
ARG A  64
ILE A 179
GLY A  44
LEU A  41
 None
 1.06A 4pxmB-2zkjA:
undetectable		 4pxmB-2zkjA:
19.60
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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		5 MET A 256
LEU A 262
ILE A  56
GLY A 152
LEU A 154
 None
 1.21A 4pxmB-2zu8A:
undetectable		 4pxmB-2zu8A:
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.
3b77 UNCHARACTERIZED
PROTEIN

(Exiguobacterium
sibiricum) 		PF08000
(bPH_1)
PF11724
(YvbH_ext) 		5 LEU A  59
ALA A  58
GLY A  38
HIS A  35
LEU A  34
 None
 1.17A 4pxmB-3b77A:
undetectable		 4pxmB-3b77A:
22.14
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.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 ALA A  82
GLU A  86
ARG A 206
GLY A  51
HIS A  50
 None
 1.22A 4pxmB-3b89A:
undetectable		 4pxmB-3b89A:
23.18
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.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		5 LEU A 323
ALA A 269
ILE A 167
GLY A 332
LEU A 330
 None
 1.19A 4pxmB-3b9yA:
undetectable		 4pxmB-3b9yA:
22.16
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.
3c3w TWO COMPONENT
TRANSCRIPTIONAL
REGULATORY PROTEIN
DEVR

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 LEU A  79
ALA A  51
LEU A  76
ILE A 106
LEU A  65
 None
 1.14A 4pxmB-3c3wA:
undetectable		 4pxmB-3c3wA:
24.54
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.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 LEU A 326
LEU A 311
ILE A 435
GLY A 316
LEU A 318
 None
 1.01A 4pxmB-3d1jA:
undetectable		 4pxmB-3d1jA:
21.37
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.
3dh4 SODIUM/GLUCOSE
COTRANSPORTER

(Vibrio
parahaemolyticus) 		PF00474
(SSF) 		5 MET A 163
LEU A 169
ALA A 170
LEU A 407
ILE A 413
 None
 1.22A 4pxmB-3dh4A:
undetectable		 4pxmB-3dh4A:
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.
3eo3 BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF00480
(ROK) 		5 LEU A 625
ALA A 624
LEU A 671
ILE A 678
GLY A 646
 None
 1.10A 4pxmB-3eo3A:
undetectable		 4pxmB-3eo3A:
23.65
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.
3f6t ASPARTATE
AMINOTRANSFERASE

(Lactobacillus
acidophilus) 		PF00155
(Aminotran_1_2) 		5 MET A 305
LEU A 247
ALA A 246
ILE A 176
LEU A 183
 None
 1.17A 4pxmB-3f6tA:
undetectable		 4pxmB-3f6tA:
20.56
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.
3fr8 PUTATIVE KETOL-ACID
REDUCTOISOMERASE
(OS05G0573700
PROTEIN)

(Oryza sativa) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 LEU A 224
ILE A 412
GLY A 231
HIS A 232
LEU A 233
 None
 1.20A 4pxmB-3fr8A:
undetectable		 4pxmB-3fr8A:
21.00
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		5 ALA A 271
ILE A   8
GLY A 196
HIS A 220
LEU A 219
 None
 1.20A 4pxmB-3ipwA:
undetectable		 4pxmB-3ipwA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		5 LEU P 334
ALA P 335
LEU P 224
ILE P 213
GLY P 212
 None
 0.88A 4pxmB-3izyP:
undetectable		 4pxmB-3izyP:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 ALA H 125
LEU H 100
ILE H  76
GLY H 103
HIS H 109
 None
 1.05A 4pxmB-3jtlH:
undetectable		 4pxmB-3jtlH:
23.90
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.
3lvu ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00496
(SBP_bac_5) 		5 LEU A 338
ALA A 339
LEU A 411
ILE A 425
GLY A 466
 None
 1.23A 4pxmB-3lvuA:
undetectable		 4pxmB-3lvuA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY

(Clostridium
acetobutylicum) 		PF13419
(HAD_2) 		5 LEU A 193
ALA A 196
GLU A 192
ILE A 146
LEU A 174
 None
 1.22A 4pxmB-3mc1A:
undetectable		 4pxmB-3mc1A:
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.
3n2b DIAMINOPIMELATE
DECARBOXYLASE

(Vibrio cholerae) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 257
LEU A 241
ILE A  56
HIS A  54
LEU A 272
 None
 1.23A 4pxmB-3n2bA:
undetectable		 4pxmB-3n2bA:
23.36
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.
3nf4 ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 236
ALA A 239
LEU A 131
ILE A 372
GLY A 368
 None
None
FAD  A 384 (-4.3A)
None
FAD  A 384 ( 4.4A)
 1.20A 4pxmB-3nf4A:
undetectable		 4pxmB-3nf4A:
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 ALA A 251
GLU A 250
LEU A 186
ILE A 238
LEU A 271
 None
 1.21A 4pxmB-3nzpA:
undetectable		 4pxmB-3nzpA:
18.85
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 218
LEU A 161
ILE A 263
GLY A 260
LEU A 259
 None
 1.07A 4pxmB-3qtpA:
undetectable		 4pxmB-3qtpA:
18.43
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.
3sdi PROTEASOME COMPONENT
PRE5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 LEU E  51
ALA E  50
ILE E  31
GLY E 135
LEU E 137
 None
 1.09A 4pxmB-3sdiE:
undetectable		 4pxmB-3sdiE:
23.55
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.
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A  81
ALA A  80
ILE A 117
GLY A  17
HIS A  69
 None
 1.02A 4pxmB-3sm9A:
undetectable		 4pxmB-3sm9A:
20.08
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.
3tcr MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN

(Mycobacteroides
abscessus) 		PF00994
(MoCF_biosynth) 		5 LEU A 162
LEU A  50
ILE A  29
GLY A  43
LEU A  45
 None
 1.24A 4pxmB-3tcrA:
undetectable		 4pxmB-3tcrA:
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.
3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF01467
(CTP_transf_like) 		5 LEU A   5
ILE A  13
GLY A  18
HIS A  17
LEU A  20
 None
None
DMS  A 208 (-3.5A)
ACO  A 201 (-4.1A)
None
 1.10A 4pxmB-3x1jA:
undetectable		 4pxmB-3x1jA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 LEU A 383
LEU A 272
ILE A 410
GLY A 266
LEU A 265
 None
 1.20A 4pxmB-4c9mA:
2.7		 4pxmB-4c9mA:
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.
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 ALA B 229
LEU B 246
ILE B 325
GLY A 349
LEU B 294
 None
 1.21A 4pxmB-4cakB:
undetectable		 4pxmB-4cakB:
17.24
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 311
ALA A 308
LEU A 341
ILE A 330
GLY A 334
 None
 1.03A 4pxmB-4ihcA:
undetectable		 4pxmB-4ihcA:
24.02
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.
4k2b NTD BIOSYNTHESIS
OPERON PROTEIN NTDA

(Bacillus
subtilis) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A 159
ALA A 160
ILE A 220
GLY A 132
LEU A 134
 None
 0.92A 4pxmB-4k2bA:
undetectable		 4pxmB-4k2bA:
21.35
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A3257
MET A3258
ILE A3292
GLY A3293
HIS A3404
 None
 1.20A 4pxmB-4kc5A:
undetectable		 4pxmB-4kc5A:
15.84
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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 ALA A  54
GLU A  55
LEU A  65
ILE A 302
GLY A  90
 None
 1.22A 4pxmB-4kzkA:
undetectable		 4pxmB-4kzkA:
18.60
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.
4l4y TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 LEU A 120
ALA A 206
ILE A 172
GLY A 267
LEU A 268
 None
 1.15A 4pxmB-4l4yA:
undetectable		 4pxmB-4l4yA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l5i TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 LEU A 120
ALA A 206
ILE A 172
GLY A 267
LEU A 268
 None
 1.18A 4pxmB-4l5iA:
undetectable		 4pxmB-4l5iA:
21.43
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.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA E 318
GLU E 317
LEU E 313
ARG E  10
GLY E 219
 None
 1.13A 4pxmB-4md8E:
undetectable		 4pxmB-4md8E:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mj3 HALOALKANE
DEHALOGENASE

(Mycolicibacterium
rhodesiae) 		PF00561
(Abhydrolase_1) 		5 LEU A 282
LEU A  61
ILE A 179
GLY A 177
LEU A 188
 None
 1.24A 4pxmB-4mj3A:
undetectable		 4pxmB-4mj3A:
22.16
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.
4mjz OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Toxoplasma
gondii) 		PF00215
(OMPdecase) 		5 LEU A  40
LEU A 266
ILE A 254
GLY A 273
LEU A 274
 None
 1.07A 4pxmB-4mjzA:
undetectable		 4pxmB-4mjzA:
19.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		7 LEU A 286
ALA A 287
GLU A 290
LEU A 324
ARG A 331
ILE A 361
GLY A 444
 None
 1.34A 4pxmB-4n1yA:
30.7		 4pxmB-4n1yA:
38.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		7 LEU A 286
ALA A 287
GLU A 290
LEU A 324
ARG A 331
ILE A 361
GLY A 447
 None
 0.57A 4pxmB-4n1yA:
30.7		 4pxmB-4n1yA:
38.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pw0 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Chitinophaga
pinensis) 		PF00561
(Abhydrolase_1) 		5 LEU A 153
GLU A 157
LEU A 160
GLY A 260
HIS A 259
 None
None
None
None
CL  A 301 (-4.2A)
 1.16A 4pxmB-4pw0A:
undetectable		 4pxmB-4pw0A:
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.
4q69 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 MET A 203
LEU A 209
ALA A 210
LEU A 177
ILE A 127
 None
 1.21A 4pxmB-4q69A:
undetectable		 4pxmB-4q69A:
21.21
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 LEU A 406
ALA A 407
GLU A 410
HIS A 449
LEU A 447
 None
 1.05A 4pxmB-4u98A:
undetectable		 4pxmB-4u98A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xae FERULOYL COA
ORTHO-HYDROXYLASE 1

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 GLU A 323
LEU A 321
ILE A 332
GLY A 286
LEU A 287
 None
 1.15A 4pxmB-4xaeA:
undetectable		 4pxmB-4xaeA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynv ACL4

(Chaetomium
thermophilum) 		PF13432
(TPR_16) 		5 LEU A  40
ALA A  37
GLY A  75
HIS A  78
LEU A  74
 None
 1.19A 4pxmB-4ynvA:
undetectable		 4pxmB-4ynvA:
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.
4zk6 QUINOLINATE SYNTHASE
A

(Pyrococcus
horikoshii) 		PF02445
(NadA) 		5 MET A  61
LEU A  68
ALA A  45
GLY A  36
HIS A  21
 NTM  A 402 (-3.5A)
None
None
None
NTM  A 402 ( 3.9A)
 1.14A 4pxmB-4zk6A:
undetectable		 4pxmB-4zk6A:
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU A 171
ALA A 170
LEU A 228
ILE A 204
LEU A 191
 None
 1.06A 4pxmB-4zohA:
undetectable		 4pxmB-4zohA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A  99
ALA A  98
ILE A 136
GLY A  35
HIS A  87
 None
 0.98A 4pxmB-5cniA:
undetectable		 4pxmB-5cniA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ALA A 141
LEU A  97
ILE A 125
GLY A 122
LEU A 120
 None
None
None
GMT  A 401 ( 4.0A)
None
 1.21A 4pxmB-5d01A:
undetectable		 4pxmB-5d01A:
20.25
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.
5d91 AF2299
PROTEIN,PHOSPHATIDYL
INOSITOL SYNTHASE

(Archaeoglobus
fulgidus;
Renibacterium
salmoninarum) 		PF01066
(CDP-OH_P_transf) 		5 LEU A  90
LEU A  37
ILE A  59
GLY A  42
LEU A  44
 None
8K6  A 334 ( 4.7A)
None
None
8K6  A 335 (-4.3A)
 1.22A 4pxmB-5d91A:
undetectable		 4pxmB-5d91A:
22.87
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCOP1

(Pseudomonas
stutzeri) 		PF00115
(COX1)
PF13442
(Cytochrome_CBB3)
PF14715
(FixP_N) 		5 MET A 275
LEU A 280
ALA A 281
ILE C  70
LEU C  20
 None
 1.03A 4pxmB-5djqA:
undetectable		 4pxmB-5djqA:
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.
5ee7 GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 LEU A 316
ILE A 325
GLY A 246
HIS A 250
LEU A 247
 None
None
None
OLA  A1209 (-3.8A)
None
 1.22A 4pxmB-5ee7A:
undetectable		 4pxmB-5ee7A:
22.00
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.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		5 ALA A 283
ARG A 289
ILE A   8
GLY A  15
LEU A  14
 None
 1.12A 4pxmB-5gz1A:
undetectable		 4pxmB-5gz1A:
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.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 LEU A 337
ALA A 248
LEU A 322
GLY A 302
LEU A 301
 None
None
None
GOL  A 502 ( 3.8A)
GOL  A 502 (-4.0A)
 1.19A 4pxmB-5hwqA:
undetectable		 4pxmB-5hwqA:
20.62
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.
5j62 PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 ALA A  40
LEU A 114
ILE A 131
GLY A 190
LEU A  96
 None
None
FMN  A 301 (-3.7A)
None
None
 1.17A 4pxmB-5j62A:
undetectable		 4pxmB-5j62A:
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.
5jd3 LAE5

(uncultured
bacterium) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 158
MET A 159
ARG A 165
ILE A  90
GLY A  91
 None
 1.05A 4pxmB-5jd3A:
undetectable		 4pxmB-5jd3A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 LEU A  99
ALA A  98
ILE A 136
GLY A  35
HIS A  87
 None
 0.89A 4pxmB-5kznA:
undetectable		 4pxmB-5kznA:
16.98
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
3
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus) 		PF00420
(Oxidored_q2)
PF00499
(Oxidored_q3)
PF00507
(Oxidored_q4) 		5 ALA K  68
GLU K  34
LEU A  63
ILE A  69
LEU J 161
 None
 1.22A 4pxmB-5lc5K:
undetectable		 4pxmB-5lc5K:
25.37
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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A  96
LEU A  53
ILE A 395
GLY A 267
LEU A 146
 None
 1.11A 4pxmB-5lnqA:
undetectable		 4pxmB-5lnqA:
22.17
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.
5n3u PHYCOCYANOBILIN
LYASE SUBUNIT ALPHA

(Nostoc sp. PCC
7120) 		no annotation 5 ALA A 229
GLU A 228
ARG A 267
ILE A 221
GLY A 196
 None
 1.19A 4pxmB-5n3uA:
undetectable		 4pxmB-5n3uA:
13.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 MET A 295
LEU A 301
ALA A 302
GLU A 305
LEU A 339
MET A 340
ARG A 346
ILE A 376
GLY A 472
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 ( 4.3A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.42A 4pxmB-5toaA:
31.5		 4pxmB-5toaA:
57.36
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 LEU A  96
GLU A 168
LEU A 195
ILE A  39
LEU A  34
 None
 1.12A 4pxmB-5u4hA:
undetectable		 4pxmB-5u4hA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4n FRUCTOSE-1

(Neisseria
gonorrhoeae) 		PF01116
(F_bP_aldolase) 		5 ALA A 193
GLU A 142
LEU A 146
GLY A 152
LEU A 149
 None
 1.00A 4pxmB-5u4nA:
undetectable		 4pxmB-5u4nA:
20.56
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.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 5 ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A 503 (-3.5A)
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
None
None
 1.10A 4pxmB-5uanA:
25.5		 4pxmB-5uanA:
26.26
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.
5uao TRYPTOPHANE-5-HALOGE
NASE

(Microbispora
sp. ATCC
PTA-5024) 		PF04820
(Trp_halogenase) 		5 LEU A 441
ALA A 439
LEU A 479
GLY A 131
LEU A 133
 None
 1.21A 4pxmB-5uaoA:
undetectable		 4pxmB-5uaoA:
20.55
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		5 MET A 198
ALA A  78
LEU A  82
ILE A 213
GLY A 194
 None
 1.21A 4pxmB-5w70A:
undetectable		 4pxmB-5w70A:
22.57
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 MET A  74
LEU A  30
LEU A  35
ILE A 376
GLY A 135
 None
 1.21A 4pxmB-5x2qA:
undetectable		 4pxmB-5x2qA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xav INTRACELLULAR
POLYHYDROXYALKANOATE
SYNTHASE

(Chromobacterium
sp. USM2) 		PF07167
(PhaC_N) 		5 LEU A 288
ALA A 287
LEU A 297
ILE A 195
GLY A 268
 None
 1.19A 4pxmB-5xavA:
undetectable		 4pxmB-5xavA:
20.10
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 LEU A 221
ALA A 222
LEU A 165
GLY A 186
LEU A 187
 None
 1.20A 4pxmB-6c62A:
undetectable		 4pxmB-6c62A:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g74 QUINOLINATE SYNTHASE
A

(Thermotoga
maritima) 		no annotation 5 MET A  59
LEU A  66
ALA A  43
GLY A  34
HIS A  19
 PHT  A 302 ( 4.9A)
None
None
None
PHT  A 302 (-4.0A)
 1.18A 4pxmB-6g74A:
undetectable		 4pxmB-6g74A:
14.34