SIMILAR PATTERNS OF AMINO ACIDS FOR 4AC9_B_DXCB1473

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.
1a5l UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ILE C 241
ASP C 240
GLY C 516
VAL C 155
SER C 296
 None
 0.97A 4ac9B-1a5lC:
undetectable
4ac9C-1a5lC:
3.0		 4ac9B-1a5lC:
21.29
4ac9C-1a5lC:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 ILE A  27
ILE A  23
GLY A  22
VAL A 246
GLY A 219
 None
NAI  A 302 (-4.0A)
NAI  A 302 (-3.5A)
None
None
 0.91A 4ac9B-1ahiA:
6.4
4ac9C-1ahiA:
6.2		 4ac9B-1ahiA:
22.66
4ac9C-1ahiA:
22.66
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.
1ce7 PROTEIN
(RIBOSOME-INACTIVATI
NG PROTEIN TYPE II)

(Viscum album) 		PF00161
(RIP) 		5 ILE A 132
ILE A 128
GLY A 127
SER A  19
GLY A  14
 None
 0.97A 4ac9B-1ce7A:
undetectable
4ac9C-1ce7A:
undetectable		 4ac9B-1ce7A:
18.89
4ac9C-1ce7A:
18.89
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.
1ipf TROPINONE
REDUCTASE-II

(Datura
stramonium) 		PF13561
(adh_short_C2) 		5 ILE A  25
ILE A  21
GLY A  20
VAL A 250
GLY A 223
 None
NDP  A 261 (-4.1A)
NDP  A 261 (-3.5A)
None
None
 0.87A 4ac9B-1ipfA:
6.1
4ac9C-1ipfA:
4.3		 4ac9B-1ipfA:
19.14
4ac9C-1ipfA:
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.
1iub FUCOSE-SPECIFIC
LECTIN

(Aleuria
aurantia) 		PF07938
(Fungal_lectin) 		5 ILE A 276
ASP A 275
ILE A 274
GLY A 272
GLY A 220
 None
None
None
CL  A 412 ( 4.8A)
None
 0.95A 4ac9B-1iubA:
undetectable
4ac9C-1iubA:
undetectable		 4ac9B-1iubA:
20.33
4ac9C-1iubA:
20.33
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ILE A 415
ASP A 413
ILE A 412
PHE A 458
GLN A 115
 None
 1.07A 4ac9B-1tmoA:
undetectable
4ac9C-1tmoA:
undetectable		 4ac9B-1tmoA:
20.73
4ac9C-1tmoA:
20.73
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.
1u5t DEFECTIVE IN
VACUOLAR PROTEIN
SORTING
VPS36P

(Saccharomyces
cerevisiae) 		PF04157
(EAP30) 		5 ILE B 435
ASP B 439
ILE B 531
GLY B 530
VAL B 495
 None
 1.00A 4ac9B-1u5tB:
undetectable
4ac9C-1u5tB:
undetectable		 4ac9B-1u5tB:
17.90
4ac9C-1u5tB:
17.90
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.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT
BIPHENYL DIOXYGENASE
SMALL SUBUNIT

(Rhodococcus
jostii;
Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		5 ILE A 340
VAL A 383
SER B 184
GLY A 379
ARG B 137
 None
 1.03A 4ac9B-1uliA:
undetectable
4ac9C-1uliA:
undetectable		 4ac9B-1uliA:
20.49
4ac9C-1uliA:
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.
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		5 ILE A 413
ASP A 327
ILE A 328
PHE A 372
PHE A 400
 None
 1.10A 4ac9B-1w25A:
7.7
4ac9C-1w25A:
7.5		 4ac9B-1w25A:
22.86
4ac9C-1w25A:
22.86
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.
1yxm PEROXISOMAL TRANS
2-ENOYL COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ILE A  34
ILE A  30
GLY A  29
VAL A 261
GLY A 234
 None
 1.03A 4ac9B-1yxmA:
6.8
4ac9C-1yxmA:
6.6		 4ac9B-1yxmA:
22.04
4ac9C-1yxmA:
22.04
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.
2d1y HYPOTHETICAL PROTEIN
TT0321

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 ILE A  22
ILE A  18
GLY A  17
VAL A 241
GLY A 214
 None
NAD  A1001 (-4.0A)
NAD  A1001 (-3.4A)
None
None
 0.94A 4ac9B-2d1yA:
6.3
4ac9C-2d1yA:
5.1		 4ac9B-2d1yA:
21.37
4ac9C-2d1yA:
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.
2iir ACETATE KINASE

(Thermotoga
maritima) 		PF00871
(Acetate_kinase) 		5 ILE A 309
ILE A 313
GLY A 314
PHE A 328
VAL A 379
 None
 1.04A 4ac9B-2iirA:
undetectable
4ac9C-2iirA:
2.3		 4ac9B-2iirA:
23.61
4ac9C-2iirA:
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.
2j5u MREC PROTEIN

(Listeria
monocytogenes) 		PF04085
(MreC) 		5 ILE A 258
ILE A 242
GLY A 221
GLN A 188
GLY A 189
 None
 1.11A 4ac9B-2j5uA:
2.6
4ac9C-2j5uA:
2.6		 4ac9B-2j5uA:
20.53
4ac9C-2j5uA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jhq URACIL
DNA-GLYCOSYLASE

(Vibrio cholerae) 		PF03167
(UDG) 		5 ILE A 215
VAL A  58
GLN A 117
SER A 113
GLY A 118
 None
 0.98A 4ac9B-2jhqA:
undetectable
4ac9C-2jhqA:
undetectable		 4ac9B-2jhqA:
17.77
4ac9C-2jhqA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p68 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Aquifex
aeolicus) 		PF13561
(adh_short_C2) 		5 ILE A  23
ILE A  19
GLY A  18
VAL A 243
GLY A 216
 None
 1.07A 4ac9B-2p68A:
6.0
4ac9C-2p68A:
3.7		 4ac9B-2p68A:
21.96
4ac9C-2p68A:
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.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 ILE A  17
ILE A  13
GLY A  12
VAL A 238
GLY A 211
 None
 0.95A 4ac9B-2ph3A:
4.4
4ac9C-2ph3A:
3.8		 4ac9B-2ph3A:
19.51
4ac9C-2ph3A:
19.51
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.
2q2e TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Methanosarcina
mazei) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		5 ILE B 448
ILE B 444
VAL B 428
SER B 318
ARG B 379
 None
 1.02A 4ac9B-2q2eB:
undetectable
4ac9C-2q2eB:
undetectable		 4ac9B-2q2eB:
24.07
4ac9C-2q2eB:
24.07
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 283
ASP A 282
GLY A 254
PHE A 258
GLY A 249
 None
 1.02A 4ac9B-2qgyA:
2.3
4ac9C-2qgyA:
2.2		 4ac9B-2qgyA:
23.23
4ac9C-2qgyA:
23.23
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.
2qyb MEMBRANE PROTEIN,
PUTATIVE

(Geobacter
sulfurreducens) 		PF13185
(GAF_2) 		5 ILE A  38
ILE A 113
GLY A 122
PHE A 121
ARG A  12
 None
 1.11A 4ac9B-2qybA:
undetectable
4ac9C-2qybA:
undetectable		 4ac9B-2qybA:
17.45
4ac9C-2qybA:
17.45
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.
2uvd 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 ILE A  20
ILE A  16
GLY A  15
VAL A 240
GLY A 213
 None
 1.06A 4ac9B-2uvdA:
6.9
4ac9C-2uvdA:
6.5		 4ac9B-2uvdA:
21.35
4ac9C-2uvdA:
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 ILE A  27
ILE A  23
GLY A  22
VAL A 247
GLY A 220
 None
NAD  A 500 (-3.9A)
NAD  A 500 (-3.4A)
None
None
 0.97A 4ac9B-2wsbA:
6.3
4ac9C-2wsbA:
6.3		 4ac9B-2wsbA:
20.75
4ac9C-2wsbA:
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.
2zat DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4

(Sus scrofa) 		PF13561
(adh_short_C2) 		5 ILE A  30
ILE A  26
GLY A  25
VAL A 252
GLY A 225
 None
NAP  A1261 ( 3.7A)
NAP  A1261 ( 3.0A)
None
None
 1.01A 4ac9B-2zatA:
6.7
4ac9C-2zatA:
6.4		 4ac9B-2zatA:
18.88
4ac9C-2zatA:
18.88
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.
3aja PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01083
(Cutinase) 		5 ILE A 189
ASP A 188
ILE A 185
VAL A  79
ARG A 164
 None
 0.83A 4ac9B-3ajaA:
4.2
4ac9C-3ajaA:
4.2		 4ac9B-3ajaA:
21.02
4ac9C-3ajaA:
21.02
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.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		6 ILE A 261
ASP A 241
ILE A 240
GLY A 193
PHE A 194
GLY A 226
 None
 1.18A 4ac9B-3b40A:
2.5
4ac9C-3b40A:
2.2		 4ac9B-3b40A:
23.35
4ac9C-3b40A:
23.35
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.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 143
ILE A 140
GLY A 314
SER A  91
GLY A 135
 None
 0.91A 4ac9B-3bjsA:
undetectable
4ac9C-3bjsA:
undetectable		 4ac9B-3bjsA:
20.30
4ac9C-3bjsA:
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.
3clq UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF06545
(DUF1116) 		5 ILE A  74
ILE A  75
VAL A 408
SER A 394
GLY A 417
 None
 1.06A 4ac9B-3clqA:
undetectable
4ac9C-3clqA:
undetectable		 4ac9B-3clqA:
21.44
4ac9C-3clqA:
21.44
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.
3e61 PUTATIVE
TRANSCRIPTIONAL
REPRESSOR OF RIBOSE
OPERON

(Staphylococcus
saprophyticus) 		PF13377
(Peripla_BP_3) 		5 ILE A 241
ASP A 237
ILE A 276
GLY A 262
VAL A 254
 None
 1.10A 4ac9B-3e61A:
3.9
4ac9C-3e61A:
3.7		 4ac9B-3e61A:
19.67
4ac9C-3e61A:
19.67
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.
3ehe UDP-GLUCOSE
4-EPIMERASE (GALE-1)

(Archaeoglobus
fulgidus) 		PF01370
(Epimerase) 		5 ILE A 240
ILE A 178
GLY A 176
SER A 208
GLY A 170
 None
 0.97A 4ac9B-3eheA:
5.5
4ac9C-3eheA:
5.5		 4ac9B-3eheA:
20.78
4ac9C-3eheA:
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.
3f9i 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Rickettsia
prowazekii) 		PF13561
(adh_short_C2) 		5 ILE A  22
ILE A  18
GLY A  17
VAL A 234
GLY A 207
 None
 1.03A 4ac9B-3f9iA:
7.1
4ac9C-3f9iA:
6.9		 4ac9B-3f9iA:
24.06
4ac9C-3f9iA:
24.06
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.
3ftp 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		5 ILE A  23
ILE A  19
GLY A  18
VAL A 242
GLY A 215
 None
 0.97A 4ac9B-3ftpA:
6.8
4ac9C-3ftpA:
6.4		 4ac9B-3ftpA:
20.75
4ac9C-3ftpA:
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.
3gaf 7-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 ILE A  27
ILE A  23
GLY A  22
VAL A 246
GLY A 219
 None
 0.95A 4ac9B-3gafA:
6.3
4ac9C-3gafA:
6.2		 4ac9B-3gafA:
21.58
4ac9C-3gafA:
21.58
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.
3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		5 ILE A  18
ILE A  14
GLY A  13
VAL A 225
GLY A 200
 None
 0.99A 4ac9B-3gedA:
6.1
4ac9C-3gedA:
5.7		 4ac9B-3gedA:
21.31
4ac9C-3gedA:
21.31
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.
3h1g CHEMOTAXIS PROTEIN
CHEY HOMOLOG

(Helicobacter
pylori) 		PF00072
(Response_reg) 		5 ILE A  77
ILE A  79
GLY A  98
VAL A   6
GLY A  61
 None
 0.93A 4ac9B-3h1gA:
8.0
4ac9C-3h1gA:
8.3		 4ac9B-3h1gA:
16.27
4ac9C-3h1gA:
16.27
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.
3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT

(Eubacterium
barkeri) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ILE C  51
ASP C  52
ILE C  53
SER C 118
GLY C 112
 None
None
None
None
FAD  C 900 ( 4.3A)
 0.75A 4ac9B-3hrdC:
undetectable
4ac9C-3hrdC:
undetectable		 4ac9B-3hrdC:
20.53
4ac9C-3hrdC:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ILE A  73
ILE A  69
GLY A  66
SER A  33
ARG A 268
 None
 1.08A 4ac9B-3i3yA:
4.4
4ac9C-3i3yA:
4.8		 4ac9B-3i3yA:
22.70
4ac9C-3i3yA:
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.
3jcc T-CELL SURFACE
GLYCOPROTEIN CD4

(Homo sapiens) 		PF00047
(ig)
PF05790
(C2-set) 		5 ILE D 172
ASP D 173
ILE D 174
GLY D 155
VAL D 146
 None
 0.92A 4ac9B-3jccD:
undetectable
4ac9C-3jccD:
undetectable		 4ac9B-3jccD:
16.63
4ac9C-3jccD:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Archaeoglobus
fulgidus) 		PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ILE B 145
ASP B 146
ILE B 150
GLY B 149
VAL B 303
 None
 0.84A 4ac9B-3mm5B:
undetectable
4ac9C-3mm5B:
undetectable		 4ac9B-3mm5B:
21.14
4ac9C-3mm5B:
21.14
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.
3mse CALCIUM-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
falciparum) 		PF10591
(SPARC_Ca_bdg)
PF13202
(EF-hand_5) 		5 ILE B 116
ASP B 117
ILE B 124
PHE B 146
VAL B 150
 None
CA  B 180 (-3.3A)
None
None
None
 1.08A 4ac9B-3mseB:
undetectable
4ac9C-3mseB:
undetectable		 4ac9B-3mseB:
18.97
4ac9C-3mseB:
18.97
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.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ILE A  64
ASP A  65
ILE A  66
GLY A  68
GLY A  94
 None
 0.89A 4ac9B-3mwsA:
undetectable
4ac9C-3mwsA:
undetectable		 4ac9B-3mwsA:
13.76
4ac9C-3mwsA:
13.76
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.
3mxq SENSOR PROTEIN

(Vibrio cholerae) 		PF08448
(PAS_4) 		5 ILE A  51
ILE A  28
GLY A  48
PHE A  35
GLY A  43
 None
 1.05A 4ac9B-3mxqA:
undetectable
4ac9C-3mxqA:
undetectable		 4ac9B-3mxqA:
16.60
4ac9C-3mxqA:
16.60
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.
3n5l BINDING PROTEIN
COMPONENT OF ABC
PHOSPHONATE
TRANSPORTER

(Pseudomonas
aeruginosa) 		PF12974
(Phosphonate-bd) 		5 ILE A  35
ILE A  73
GLY A  72
VAL A 232
ARG A 282
 None
None
EDO  A 429 (-3.5A)
None
EDO  A 414 (-3.9A)
 0.94A 4ac9B-3n5lA:
undetectable
4ac9C-3n5lA:
undetectable		 4ac9B-3n5lA:
21.50
4ac9C-3n5lA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4r DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ILE A  48
ILE A  44
GLY A  43
VAL A 270
GLY A 243
 None
NAP  A 601 (-3.7A)
NAP  A 601 (-3.0A)
None
None
 1.03A 4ac9B-3o4rA:
6.5
4ac9C-3o4rA:
6.4		 4ac9B-3o4rA:
20.08
4ac9C-3o4rA:
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.
3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 ILE A  22
ILE A  18
GLY A  17
VAL A 243
GLY A 216
 None
GOL  A 285 ( 3.7A)
None
None
None
 0.90A 4ac9B-3pk0A:
6.7
4ac9C-3pk0A:
6.4		 4ac9B-3pk0A:
20.59
4ac9C-3pk0A:
20.59
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.
3qc0 SUGAR ISOMERASE

(Sinorhizobium
meliloti) 		PF01261
(AP_endonuc_2) 		5 ILE A 226
ASP A 227
ILE A 231
GLY A 230
SER A   7
 None
 0.99A 4ac9B-3qc0A:
2.8
4ac9C-3qc0A:
2.4		 4ac9B-3qc0A:
20.61
4ac9C-3qc0A:
20.61
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.
3qsl PUTATIVE EXPORTED
PROTEIN

(Bordetella
bronchiseptica) 		PF13379
(NMT1_2) 		5 ILE A  68
ASP A  70
GLY A  41
SER A 296
GLY A 230
 None
 0.88A 4ac9B-3qslA:
undetectable
4ac9C-3qslA:
undetectable		 4ac9B-3qslA:
21.80
4ac9C-3qslA:
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.
3rft URONATE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 ILE A  83
ILE A  74
GLY A  73
SER A 165
ARG A 174
 None
None
None
SO4  A 270 (-3.0A)
SO4  A 270 (-2.9A)
 0.88A 4ac9B-3rftA:
6.5
4ac9C-3rftA:
6.5		 4ac9B-3rftA:
18.16
4ac9C-3rftA:
18.16
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.
3rih SHORT CHAIN
DEHYDROGENASE OR
REDUCTASE

(Mycobacteroides
abscessus) 		PF13561
(adh_short_C2) 		5 ILE A  35
ILE A  31
GLY A  30
VAL A 256
GLY A 229
 None
 0.91A 4ac9B-3rihA:
6.6
4ac9C-3rihA:
6.4		 4ac9B-3rihA:
22.29
4ac9C-3rihA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ure ALPHA-LYTIC PROTEASE

(Lysobacter
enzymogenes) 		PF00089
(Trypsin) 		5 ILE A  31
ILE A  66
GLY A  67
PHE A  52
VAL A 106
 None
 1.00A 4ac9B-3ureA:
2.7
4ac9C-3ureA:
3.1		 4ac9B-3ureA:
16.60
4ac9C-3ureA:
16.60
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.
3uv1 DER F 7 ALLERGEN

(Dermatophagoides
farinae) 		PF16984
(Grp7_allergen) 		5 ILE A  29
ASP A  30
GLY A  63
VAL A 123
GLY A  89
 None
 0.76A 4ac9B-3uv1A:
undetectable
4ac9C-3uv1A:
undetectable		 4ac9B-3uv1A:
18.49
4ac9C-3uv1A:
18.49
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.
3uxy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 ILE A 215
ILE A  18
GLY A  17
SER A  84
GLY A  81
 None
 0.94A 4ac9B-3uxyA:
6.0
4ac9C-3uxyA:
5.9		 4ac9B-3uxyA:
22.27
4ac9C-3uxyA:
22.27
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.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 ILE A  19
ILE A  15
GLY A  14
VAL A 237
GLY A 210
 None
 1.08A 4ac9B-3wtbA:
5.6
4ac9C-3wtbA:
5.6		 4ac9B-3wtbA:
21.08
4ac9C-3wtbA:
21.08
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 ILE A 499
ASP A 500
ILE A 539
GLY A 540
GLY A 415
 None
 0.99A 4ac9B-4a01A:
undetectable
4ac9C-4a01A:
undetectable		 4ac9B-4a01A:
20.90
4ac9C-4a01A:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aca TRANSLATION
ELONGATION FACTOR
SELB

(Methanococcus
maripaludis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		6 GLY A  50
PHE A  51
VAL A 202
GLN A 233
SER A 238
GLY A 249
 None
 0.86A 4ac9B-4acaA:
53.7
4ac9C-4acaA:
51.9		 4ac9B-4acaA:
100.00
4ac9C-4acaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aca TRANSLATION
ELONGATION FACTOR
SELB

(Methanococcus
maripaludis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		6 PHE A  51
PHE A 194
VAL A 202
GLN A 233
SER A 238
GLY A 249
 None
 0.65A 4ac9B-4acaA:
53.7
4ac9C-4acaA:
51.9		 4ac9B-4acaA:
100.00
4ac9C-4acaA:
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.
4avy PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ILE A  26
ILE A  22
GLY A  21
VAL A 234
GLY A 207
 None
 0.98A 4ac9B-4avyA:
6.5
4ac9C-4avyA:
6.0		 4ac9B-4avyA:
20.26
4ac9C-4avyA:
20.26
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.
4bo6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ILE A  21
ILE A  17
GLY A  16
VAL A 240
GLY A 213
 None
 0.99A 4ac9B-4bo6A:
6.8
4ac9C-4bo6A:
6.7		 4ac9B-4bo6A:
22.93
4ac9C-4bo6A:
22.93
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.
4c0t LIKELY PROTEIN
KINASE

(Candida
albicans) 		PF00069
(Pkinase) 		5 ILE A 437
GLY A 435
PHE A 434
GLY A 345
ARG A 298
 None
 0.94A 4ac9B-4c0tA:
undetectable
4ac9C-4c0tA:
undetectable		 4ac9B-4c0tA:
21.23
4ac9C-4c0tA:
21.23
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.
4cr6 N-ACYLMANNOSAMINE
1-DEHYDROGENASE

(Flavobacterium
sp. 141-8) 		PF13561
(adh_short_C2) 		5 ILE A 194
ILE A 151
GLY A  94
VAL A 199
GLY A  26
 None
 1.09A 4ac9B-4cr6A:
6.7
4ac9C-4cr6A:
6.7		 4ac9B-4cr6A:
23.38
4ac9C-4cr6A:
23.38
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.
4doo CHALCONE-FLAVANONE
ISOMERASE FAMILY
PROTEIN

(Arabidopsis
thaliana) 		PF16035
(Chalcone_2) 		5 ILE A 146
ILE A 160
GLY A 162
PHE A 134
GLY A 166
 DAO  A 301 ( 4.9A)
None
None
DAO  A 301 (-3.9A)
None
 1.09A 4ac9B-4dooA:
undetectable
4ac9C-4dooA:
undetectable		 4ac9B-4dooA:
23.85
4ac9C-4dooA:
23.85
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.
4e0q COP9 SIGNALOSOME
COMPLEX SUBUNIT 6

(Drosophila
melanogaster) 		PF01398
(JAB) 		5 ILE A  86
GLY A  87
PHE A 100
SER A 171
GLY A 136
 None
 0.99A 4ac9B-4e0qA:
undetectable
4ac9C-4e0qA:
undetectable		 4ac9B-4e0qA:
16.44
4ac9C-4e0qA:
16.44
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.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 351
ILE A 368
GLY A 367
SER A  95
GLY A  38
 None
 1.06A 4ac9B-4e4uA:
2.1
4ac9C-4e4uA:
2.0		 4ac9B-4e4uA:
22.24
4ac9C-4e4uA:
22.24
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.
4gak ACYL-ACP
THIOESTERASE

(Spirosoma
linguale) 		PF01643
(Acyl-ACP_TE) 		5 ASP A  48
ILE A  44
GLY A  43
VAL A  84
GLN A 129
 None
 0.85A 4ac9B-4gakA:
undetectable
4ac9C-4gakA:
undetectable		 4ac9B-4gakA:
19.21
4ac9C-4gakA:
19.21
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.
4gcm THIOREDOXIN
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 ILE A 272
ILE A 252
GLY A 251
VAL A 278
ARG A  36
 None
None
None
None
FAD  A 401 (-3.6A)
 0.74A 4ac9B-4gcmA:
undetectable
4ac9C-4gcmA:
undetectable		 4ac9B-4gcmA:
22.73
4ac9C-4gcmA:
22.73
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		5 ILE A 162
ILE A 160
GLY A 159
VAL A   4
SER A 282
 None
 1.05A 4ac9B-4gm6A:
3.8
4ac9C-4gm6A:
4.8		 4ac9B-4gm6A:
24.13
4ac9C-4gm6A:
24.13
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.
4i6m ACTIN-RELATED
PROTEIN 7

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 ILE A 157
ASP A 158
ILE A 159
GLY A 396
VAL A 238
 None
PO4  A 506 (-3.9A)
None
None
None
 1.11A 4ac9B-4i6mA:
2.5
4ac9C-4i6mA:
undetectable		 4ac9B-4i6mA:
20.76
4ac9C-4i6mA:
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.
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori) 		PF13561
(adh_short_C2) 		5 ILE A  21
ILE A  17
GLY A  16
VAL A 241
GLY A 214
 None
NAD  A 301 (-3.6A)
NAD  A 301 (-3.5A)
None
None
 1.01A 4ac9B-4iinA:
6.8
4ac9C-4iinA:
6.0		 4ac9B-4iinA:
22.47
4ac9C-4iinA:
22.47
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.
4jkx BETA-GALACTOSIDE-SPE
CIFIC LECTIN 1 A
CHAIN

(Viscum album) 		PF00161
(RIP) 		5 ILE A 136
ILE A 132
GLY A 131
SER A  19
GLY A  14
 None
 0.94A 4ac9B-4jkxA:
undetectable
4ac9C-4jkxA:
undetectable		 4ac9B-4jkxA:
19.06
4ac9C-4jkxA:
19.06
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.
4m88 EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Verminephrobacter
eiseniae) 		PF13458
(Peripla_BP_6) 		5 ILE A 322
ASP A 323
ILE A 324
GLY A 326
ARG A 108
 None
 0.72A 4ac9B-4m88A:
4.7
4ac9C-4m88A:
5.9		 4ac9B-4m88A:
21.22
4ac9C-4m88A:
21.22
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.
4m8s PUTATIVE
3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Neisseria
meningitidis) 		PF13561
(adh_short_C2) 		5 ILE A  24
ILE A  20
GLY A  19
VAL A 241
GLY A 214
 None
 1.04A 4ac9B-4m8sA:
6.8
4ac9C-4m8sA:
6.5		 4ac9B-4m8sA:
21.18
4ac9C-4m8sA:
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.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 ILE A  35
ILE A  31
GLY A  30
VAL A 258
GLY A 231
 None
 1.03A 4ac9B-4nbrA:
6.0
4ac9C-4nbrA:
5.7		 4ac9B-4nbrA:
22.89
4ac9C-4nbrA:
22.89
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.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 ILE A 208
ILE A 210
GLY A 216
VAL A 165
GLY A 172
 None
 1.10A 4ac9B-4phbA:
undetectable
4ac9C-4phbA:
undetectable		 4ac9B-4phbA:
22.92
4ac9C-4phbA:
22.92
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.
4rnh MOTILITY REGULATOR

(Pseudomonas
aeruginosa) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 ILE A1266
ILE A1263
GLY A1260
VAL A1247
GLN A1253
 None
None
None
None
C2E  A1503 (-4.0A)
 1.08A 4ac9B-4rnhA:
2.8
4ac9C-4rnhA:
3.1		 4ac9B-4rnhA:
22.67
4ac9C-4rnhA:
22.67
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.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		5 ASP A  96
ILE A 100
GLY A  99
VAL A 114
GLY A 123
 None
 1.09A 4ac9B-4rweA:
4.4
4ac9C-4rweA:
5.1		 4ac9B-4rweA:
22.40
4ac9C-4rweA:
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.
4rzi 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 5 ILE B  24
ILE B  20
GLY B  19
VAL B 234
GLY B 206
 None
 1.07A 4ac9B-4rziB:
6.4
4ac9C-4rziB:
6.1		 4ac9B-4rziB:
20.61
4ac9C-4rziB:
20.61
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.
4ure CYCLOHEXANOL
DEHYDROGENASE

(Aromatoleum
aromaticum) 		PF13561
(adh_short_C2) 		5 ILE A  21
ILE A  17
GLY A  16
VAL A 241
GLY A 214
 None
 1.01A 4ac9B-4ureA:
7.1
4ac9C-4ureA:
7.0		 4ac9B-4ureA:
21.28
4ac9C-4ureA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xct MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 ILE A 168
ASP A 201
ILE A 166
GLY A 200
GLY A 229
 None
CA  A 305 (-2.9A)
None
CA  A 305 ( 4.2A)
None
 1.08A 4ac9B-4xctA:
undetectable
4ac9C-4xctA:
undetectable		 4ac9B-4xctA:
14.58
4ac9C-4xctA:
14.58
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.
4yqz PUTATIVE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 ILE A  21
ILE A  17
GLY A  16
VAL A 228
GLY A 201
 None
 0.93A 4ac9B-4yqzA:
6.7
4ac9C-4yqzA:
4.2		 4ac9B-4yqzA:
21.35
4ac9C-4yqzA:
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.
5av7 LECTIN

(Calystegia
sepium) 		PF01419
(Jacalin) 		5 ILE A 102
ILE A  86
GLY A  85
SER A  49
GLY A 134
 None
 1.08A 4ac9B-5av7A:
undetectable
4ac9C-5av7A:
undetectable		 4ac9B-5av7A:
15.25
4ac9C-5av7A:
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.
5cej 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Yersinia pestis) 		PF13561
(adh_short_C2) 		5 ILE A  21
ILE A  17
GLY A  16
VAL A 237
GLY A 210
 None
 0.96A 4ac9B-5cejA:
5.3
4ac9C-5cejA:
5.7		 4ac9B-5cejA:
21.27
4ac9C-5cejA:
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.
5dl7 PORIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 ILE A 170
ASP A 168
GLY A 283
VAL A 288
ARG A 331
 None
 1.06A 4ac9B-5dl7A:
undetectable
4ac9C-5dl7A:
undetectable		 4ac9B-5dl7A:
22.84
4ac9C-5dl7A:
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.
5en4 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ILE A  25
ILE A  21
GLY A  20
VAL A 245
GLY A 219
 None
NAD  A 301 (-3.8A)
NAD  A 301 (-3.5A)
None
None
 0.85A 4ac9B-5en4A:
6.5
4ac9C-5en4A:
6.2		 4ac9B-5en4A:
19.79
4ac9C-5en4A:
19.79
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.
5end 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Vibrio cholerae) 		PF13561
(adh_short_C2) 		5 ILE A  25
ILE A  21
GLY A  20
VAL A 241
GLY A 214
 None
 1.10A 4ac9B-5endA:
7.2
4ac9C-5endA:
7.0		 4ac9B-5endA:
22.15
4ac9C-5endA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7r LMO0178 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ILE E 127
ILE E 148
GLY E 147
VAL E 161
GLY E 159
 None
 1.08A 4ac9B-5f7rE:
undetectable
4ac9C-5f7rE:
undetectable		 4ac9B-5f7rE:
23.31
4ac9C-5f7rE:
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.
5feu NOROXOMARITIDINE/NOR
CRAUGSODINE
REDUCTASE

(Narcissus
pseudonarcissus) 		PF13561
(adh_short_C2) 		5 ILE A  41
ILE A  37
GLY A  36
VAL A 263
GLY A 236
 None
NAP  A 301 (-3.8A)
NAP  A 301 ( 3.7A)
None
None
 0.93A 4ac9B-5feuA:
6.0
4ac9C-5feuA:
5.9		 4ac9B-5feuA:
21.11
4ac9C-5feuA:
21.11
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.
5ff9 NOROXOMARITIDINE/NOR
CRAUGSODINE
REDUCTASE

(Narcissus
pseudonarcissus) 		PF13561
(adh_short_C2) 		5 ILE A  41
ILE A  37
GLY A  36
VAL A 263
GLY A 236
 None
NAP  A 301 (-4.2A)
NAP  A 301 (-3.6A)
None
None
 0.92A 4ac9B-5ff9A:
6.2
4ac9C-5ff9A:
5.8		 4ac9B-5ff9A:
19.92
4ac9C-5ff9A:
19.92
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.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		5 ILE A 108
ASP A 104
GLY A 335
GLN A 342
GLY A 341
 None
ZN  A 403 (-2.2A)
HEM  A 401 ( 4.2A)
None
None
 1.02A 4ac9B-5gj3A:
5.4
4ac9C-5gj3A:
4.9		 4ac9B-5gj3A:
20.08
4ac9C-5gj3A:
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		5 ILE A 179
ILE A 182
GLY A 184
VAL A 148
GLY A 161
 None
 0.96A 4ac9B-5hmqA:
2.4
4ac9C-5hmqA:
undetectable		 4ac9B-5hmqA:
20.67
4ac9C-5hmqA:
20.67
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.
5ix9 ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 ILE A   7
ILE A  32
GLY A   5
PHE A  50
VAL A  64
 None
 1.08A 4ac9B-5ix9A:
undetectable
4ac9C-5ix9A:
undetectable		 4ac9B-5ix9A:
16.12
4ac9C-5ix9A:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		6 ILE B 121
ASP B 213
ILE B 212
PHE B 237
VAL B 241
GLY B 209
 None
EDO  B 616 ( 2.8A)
None
None
None
None
 1.37A 4ac9B-5m99B:
3.3
4ac9C-5m99B:
2.1		 4ac9B-5m99B:
19.38
4ac9C-5m99B:
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 ILE F 199
ASP F 196
ILE F 195
GLY F  49
GLY F  45
 None
 1.10A 4ac9B-5mg3F:
undetectable
4ac9C-5mg3F:
undetectable		 4ac9B-5mg3F:
22.42
4ac9C-5mg3F:
22.42
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.
5mjk THIOREDOXIN
REDUCTASE

(Lactococcus
lactis) 		PF07992
(Pyr_redox_2) 		5 ILE A 272
ILE A 252
GLY A 251
VAL A 278
ARG A  36
 None
None
None
None
FAD  A 401 (-3.6A)
 0.87A 4ac9B-5mjkA:
undetectable
4ac9C-5mjkA:
undetectable		 4ac9B-5mjkA:
23.12
4ac9C-5mjkA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus;
Methanothermococcus
thermolithotrophicus) 		PF02662
(FlpD)
PF01058
(Oxidored_q6) 		5 ILE E 277
ASP E 279
GLY E 282
SER D  49
GLY E 249
 None
 0.87A 4ac9B-5odrE:
6.4
4ac9C-5odrE:
6.4		 4ac9B-5odrE:
23.32
4ac9C-5odrE:
23.32
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.
5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1

(Leeuwenhoekiella
blandensis) 		no annotation 5 ILE A 311
ILE A 308
GLY A 305
PHE A 304
GLY A 193
 None
 1.09A 4ac9B-5olkA:
undetectable
4ac9C-5olkA:
undetectable		 4ac9B-5olkA:
undetectable
4ac9C-5olkA:
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.
5v07 EXONUCLEASE 1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 ILE Z 257
ILE Z 233
GLY Z 232
GLY Z 223
ARG Z 277
 None
None
None
NA  Z 403 ( 4.4A)
None
 0.98A 4ac9B-5v07Z:
2.3
4ac9C-5v07Z:
2.1		 4ac9B-5v07Z:
20.51
4ac9C-5v07Z:
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.
5xmd EPOXIDE HYDROLASE A

(Vigna radiata) 		no annotation 5 ILE A 177
ILE A 174
GLY A 171
PHE A  33
GLY A 225
 None
 1.11A 4ac9B-5xmdA:
4.7
4ac9C-5xmdA:
4.0		 4ac9B-5xmdA:
undetectable
4ac9C-5xmdA:
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.
5xmg UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A 230
ILE A 228
GLY A 220
PHE A 187
GLY A 226
 None
 1.09A 4ac9B-5xmgA:
undetectable
4ac9C-5xmgA:
undetectable		 4ac9B-5xmgA:
undetectable
4ac9C-5xmgA:
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.
5xyh CBSA

(Xanthomonas
oryzae) 		no annotation 5 ILE A 457
ILE A 374
GLY A 375
PHE A 446
GLY A 394
 None
 1.00A 4ac9B-5xyhA:
3.0
4ac9C-5xyhA:
2.5		 4ac9B-5xyhA:
undetectable
4ac9C-5xyhA:
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.
5ze4 DIHYDROXY-ACID
DEHYDRATASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 ILE A 521
ASP A 522
ILE A 523
GLY A 524
GLY A 413
 None
 1.08A 4ac9B-5ze4A:
5.9
4ac9C-5ze4A:
6.2		 4ac9B-5ze4A:
undetectable
4ac9C-5ze4A:
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.
6ci9 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ILE A  23
ILE A  19
GLY A  18
VAL A 243
GLY A 216
 None
NAP  A 301 (-3.8A)
NAP  A 301 (-3.2A)
None
None
 0.95A 4ac9B-6ci9A:
6.4
4ac9C-6ci9A:
6.2		 4ac9B-6ci9A:
undetectable
4ac9C-6ci9A:
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.
6cim V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 2

(Mus musculus) 		no annotation 5 ILE B  15
PHE B  19
PHE B 343
SER B 260
GLY B 319
 None
 1.08A 4ac9B-6cimB:
undetectable
4ac9C-6cimB:
undetectable		 4ac9B-6cimB:
undetectable
4ac9C-6cimB:
undetectable