SIMILAR PATTERNS OF AMINO ACIDS FOR 3N61_B_H4BB760_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Homo sapiens) 		PF00307
(CH) 		4 SER A 142
VAL A 144
VAL A 243
TRP A 143
 None
 1.26A 3n61A-1dxxA:
undetectable
3n61B-1dxxA:
undetectable		 3n61A-1dxxA:
21.89
3n61B-1dxxA:
21.89
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.
1edz 5,10-METHYLENETETRAH
YDROFOLATE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 PHE A  42
GLU A 121
VAL A 120
VAL A 114
 None
 1.18A 3n61A-1edzA:
0.5
3n61B-1edzA:
0.7		 3n61A-1edzA:
22.27
3n61B-1edzA:
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 PHE A 501
GLU A 519
VAL A  41
TRP A 521
 None
 1.19A 3n61A-1flgA:
undetectable
3n61B-1flgA:
undetectable		 3n61A-1flgA:
19.84
3n61B-1flgA:
19.84
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.
1hqo URE2 PROTEIN

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 GLU A 260
VAL A 334
VAL A 299
TRP A 337
 None
 1.01A 3n61A-1hqoA:
0.5
3n61B-1hqoA:
0.5		 3n61A-1hqoA:
19.28
3n61B-1hqoA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hv5 STROMELYSIN 3

(Mus musculus) 		PF00413
(Peptidase_M10) 		4 GLU A 143
SER A 142
VAL A 140
TRP A 141
 None
 1.31A 3n61A-1hv5A:
0.5
3n61B-1hv5A:
0.2		 3n61A-1hv5A:
16.79
3n61B-1hv5A:
16.79
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.
1ia7 CELLULASE CEL9M

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9) 		4 GLU A 313
SER A 314
VAL A 316
VAL A 422
 None
 0.95A 3n61A-1ia7A:
0.0
3n61B-1ia7A:
0.0		 3n61A-1ia7A:
21.41
3n61B-1ia7A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m6j TRIOSEPHOSPHATE
ISOMERASE

(Entamoeba
histolytica) 		PF00121
(TIM) 		4 GLU A  72
SER A  70
VAL A  46
VAL A  95
 None
 1.30A 3n61A-1m6jA:
0.3
3n61B-1m6jA:
0.0		 3n61A-1m6jA:
19.17
3n61B-1m6jA:
19.17
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.
1ot8 NEUROGENIC LOCUS
NOTCH PROTEIN

(Drosophila
melanogaster) 		PF12796
(Ank_2) 		4 GLU A 226
SER A 225
VAL A 223
VAL A 233
 None
 1.10A 3n61A-1ot8A:
0.0
3n61B-1ot8A:
0.0		 3n61A-1ot8A:
18.86
3n61B-1ot8A:
18.86
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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 TRP B 482
PHE B 479
SER B 485
VAL B 487
 None
K  B 703 ( 4.8A)
None
None
 1.23A 3n61A-1ovlB:
0.6
3n61B-1ovlB:
0.3		 3n61A-1ovlB:
22.20
3n61B-1ovlB:
22.20
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		4 GLU A 113
SER A 116
VAL A 114
TRP A 120
 None
 1.29A 3n61A-1ua7A:
0.1
3n61B-1ua7A:
0.2		 3n61A-1ua7A:
20.99
3n61B-1ua7A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 GLU A 143
SER A 179
VAL A 181
VAL A 149
 None
 0.79A 3n61A-1w61A:
undetectable
3n61B-1w61A:
undetectable		 3n61A-1w61A:
19.96
3n61B-1w61A:
19.96
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.
1x1n 4-ALPHA-GLUCANOTRANS
FERASE

(Solanum
tuberosum) 		PF02446
(Glyco_hydro_77) 		4 TRP A 286
SER A 272
VAL A 332
TRP A 330
 GOL  A1002 (-3.4A)
None
None
None
 1.27A 3n61A-1x1nA:
undetectable
3n61B-1x1nA:
0.2		 3n61A-1x1nA:
21.11
3n61B-1x1nA:
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.
1xn6 HYPOTHETICAL PROTEIN
BC4709

(Bacillus cereus) 		PF08327
(AHSA1) 		4 PHE A  16
VAL A  27
VAL A 140
TRP A  36
 None
 1.08A 3n61A-1xn6A:
undetectable
3n61B-1xn6A:
undetectable		 3n61A-1xn6A:
15.33
3n61B-1xn6A:
15.33
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.
1yks GENOME POLYPROTEIN
[CONTAINS:
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT]

(Yellow fever
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		4 PHE A 240
GLU A 235
SER A 234
VAL A 232
 None
 1.29A 3n61A-1yksA:
undetectable
3n61B-1yksA:
undetectable		 3n61A-1yksA:
20.42
3n61B-1yksA:
20.42
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.
1zca G ALPHA I/12

(Mus musculus) 		PF00503
(G-alpha) 		4 PHE A 165
SER A 103
VAL A 105
VAL A 177
 None
 1.25A 3n61A-1zcaA:
undetectable
3n61B-1zcaA:
undetectable		 3n61A-1zcaA:
21.25
3n61B-1zcaA:
21.25
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.
2a9f PUTATIVE MALIC
ENZYME
((S)-MALATE:NAD+
OXIDOREDUCTASE
(DECARBOXYLATING))

(Streptococcus
pyogenes) 		PF00390
(malic)
PF03949
(Malic_M) 		4 GLU A 137
SER A  72
VAL A  70
VAL A 111
 MG  A 801 (-3.0A)
None
None
None
 1.24A 3n61A-2a9fA:
undetectable
3n61B-2a9fA:
undetectable		 3n61A-2a9fA:
21.10
3n61B-2a9fA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b6c HYPOTHETICAL PROTEIN
EF3068

(Enterococcus
faecalis) 		PF08713
(DNA_alkylation) 		4 SER A 113
VAL A 115
VAL A  80
TRP A 114
 None
 0.81A 3n61A-2b6cA:
undetectable
3n61B-2b6cA:
undetectable		 3n61A-2b6cA:
19.15
3n61B-2b6cA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c6s ADENOVIRUS 2,12
PENTON BASE CHIMERA

(Human
mastadenovirus
C) 		PF01686
(Adeno_Penton_B) 		4 PHE A 412
GLU A 177
SER A 176
VAL A 367
 None
 1.33A 3n61A-2c6sA:
undetectable
3n61B-2c6sA:
undetectable		 3n61A-2c6sA:
21.60
3n61B-2c6sA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		4 PHE A 321
GLU A 327
VAL A 326
VAL A 294
 None
 1.24A 3n61A-2d4eA:
undetectable
3n61B-2d4eA:
undetectable		 3n61A-2d4eA:
23.19
3n61B-2d4eA:
23.19
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.
2ebw DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF16589
(BRCT_2) 		4 TRP A 113
GLU A 116
SER A 117
VAL A 115
 None
 1.17A 3n61A-2ebwA:
undetectable
3n61B-2ebwA:
undetectable		 3n61A-2ebwA:
13.28
3n61B-2ebwA:
13.28
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.
2ek6 RNA-BINDING PROTEIN
12

(Homo sapiens) 		PF00076
(RRM_1) 		4 PHE A  62
SER A  88
VAL A  18
VAL A  72
 None
 1.32A 3n61A-2ek6A:
undetectable
3n61B-2ek6A:
undetectable		 3n61A-2ek6A:
11.29
3n61B-2ek6A:
11.29
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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		4 PHE A  87
GLU A  92
SER A  93
VAL A  95
 None
 0.95A 3n61A-2ftpA:
undetectable
3n61B-2ftpA:
undetectable		 3n61A-2ftpA:
20.78
3n61B-2ftpA:
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.
2jvo NUCLEOLAR PROTEIN 3

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		4 PHE A  52
GLU A  47
VAL A  43
VAL A  61
 None
 1.14A 3n61A-2jvoA:
undetectable
3n61B-2jvoA:
undetectable		 3n61A-2jvoA:
13.56
3n61B-2jvoA:
13.56
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.
2ow4 CANAVALIA MARITIMA
LECTIN

(Canavalia rosea) 		PF00139
(Lectin_legB) 		4 PHE A 111
SER A 215
VAL A   5
VAL A  89
 None
 1.29A 3n61A-2ow4A:
undetectable
3n61B-2ow4A:
undetectable		 3n61A-2ow4A:
20.37
3n61B-2ow4A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p9w MAL S 1 ALLERGENIC
PROTEIN

(Malassezia
sympodialis) 		no annotation 4 PHE A 176
SER A 194
VAL A 186
VAL A 146
 None
 1.13A 3n61A-2p9wA:
undetectable
3n61B-2p9wA:
undetectable		 3n61A-2p9wA:
21.22
3n61B-2p9wA:
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.
2pag HYPOTHETICAL PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF14567
(SUKH_5) 		4 PHE A  42
SER A 123
VAL A 106
TRP A 127
 None
 1.28A 3n61A-2pagA:
undetectable
3n61B-2pagA:
undetectable		 3n61A-2pagA:
16.01
3n61B-2pagA:
16.01
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.
2qq2 CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Homo sapiens) 		PF03061
(4HBT) 		4 PHE A 320
SER A 283
VAL A 300
VAL A 247
 None
 1.15A 3n61A-2qq2A:
undetectable
3n61B-2qq2A:
undetectable		 3n61A-2qq2A:
17.51
3n61B-2qq2A:
17.51
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.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE

(Porphyromonas
gingivalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 PHE A 238
GLU A 236
VAL A 296
VAL A 287
 None
 1.26A 3n61A-2qytA:
undetectable
3n61B-2qytA:
undetectable		 3n61A-2qytA:
22.89
3n61B-2qytA:
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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 PHE A  41
GLU A  38
VAL A  37
TRP A  22
 None
 1.30A 3n61A-2rttA:
undetectable
3n61B-2rttA:
undetectable		 3n61A-2rttA:
15.95
3n61B-2rttA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.08A 3n61A-2vpwA:
undetectable
3n61B-2vpwA:
undetectable		 3n61A-2vpwA:
20.78
3n61B-2vpwA:
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.
2xbl PHOSPHOHEPTOSE
ISOMERASE

(Burkholderia
pseudomallei) 		PF13580
(SIS_2) 		4 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.15A 3n61A-2xblA:
undetectable
3n61B-2xblA:
undetectable		 3n61A-2xblA:
17.84
3n61B-2xblA:
17.84
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.
2xw7 DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		PF01872
(RibD_C) 		4 TRP A 152
GLU A 151
SER A 150
VAL A 122
 None
 1.32A 3n61A-2xw7A:
undetectable
3n61B-2xw7A:
undetectable		 3n61A-2xw7A:
18.38
3n61B-2xw7A:
18.38
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 GLU A 140
SER A  60
VAL A  68
TRP A  69
 None
 1.18A 3n61A-3a24A:
0.7
3n61B-3a24A:
undetectable		 3n61A-3a24A:
20.34
3n61B-3a24A:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e6e ALANINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 GLU A  50
SER A  51
VAL A  49
VAL A  39
 None
 1.31A 3n61A-3e6eA:
undetectable
3n61B-3e6eA:
undetectable		 3n61A-3e6eA:
21.19
3n61B-3e6eA:
21.19
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.
3euw MYO-INOSITOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 PHE A  59
GLU A  57
SER A  54
VAL A  52
 None
 1.07A 3n61A-3euwA:
undetectable
3n61B-3euwA:
undetectable		 3n61A-3euwA:
19.86
3n61B-3euwA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hcy PUTATIVE
TWO-COMPONENT SENSOR
HISTIDINE KINASE
PROTEIN

(Sinorhizobium
meliloti) 		PF13185
(GAF_2) 		4 PHE A  74
GLU A  80
SER A  81
VAL A  83
 None
 1.04A 3n61A-3hcyA:
undetectable
3n61B-3hcyA:
undetectable		 3n61A-3hcyA:
20.29
3n61B-3hcyA:
20.29
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF17

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 GLU L 149
SER L 148
VAL L 146
VAL L 143
 None
 1.29A 3n61A-3jb9L:
undetectable
3n61B-3jb9L:
undetectable		 3n61A-3jb9L:
21.72
3n61B-3jb9L:
21.72
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.
3k1u BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		4 PHE A  29
GLU A  75
SER A 262
VAL A 275
 None
MG  A 409 (-3.1A)
None
None
 1.21A 3n61A-3k1uA:
undetectable
3n61B-3k1uA:
undetectable		 3n61A-3k1uA:
20.97
3n61B-3k1uA:
20.97
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.
3kij PROBABLE GLUTATHIONE
PEROXIDASE 8

(Homo sapiens) 		PF00255
(GSHPx) 		4 PHE A  47
SER A 157
VAL A 155
VAL A 177
 None
 1.31A 3n61A-3kijA:
undetectable
3n61B-3kijA:
undetectable		 3n61A-3kijA:
18.75
3n61B-3kijA:
18.75
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.
3kxa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neisseria
gonorrhoeae) 		PF01381
(HTH_3) 		4 PHE A  65
GLU A 118
VAL A 114
VAL A 105
 None
 1.03A 3n61A-3kxaA:
undetectable
3n61B-3kxaA:
undetectable		 3n61A-3kxaA:
17.40
3n61B-3kxaA:
17.40
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.
3l4c DEDICATOR OF
CYTOKINESIS PROTEIN
1

(Homo sapiens) 		PF14429
(DOCK-C2) 		4 PHE A 602
SER A 605
VAL A 430
VAL A 433
 None
 1.29A 3n61A-3l4cA:
undetectable
3n61B-3l4cA:
undetectable		 3n61A-3l4cA:
19.95
3n61B-3l4cA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r4z GLYCOSYL HYDROLASE
FAMILY 32, N
TERMINAL

(Saccharophagus
degradans) 		PF04616
(Glyco_hydro_43) 		4 GLU A 129
VAL A 130
VAL A  94
TRP A  66
 None
 1.20A 3n61A-3r4zA:
undetectable
3n61B-3r4zA:
undetectable		 3n61A-3r4zA:
20.59
3n61B-3r4zA:
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
 None
 1.28A 3n61A-3rjyA:
1.5
3n61B-3rjyA:
1.1		 3n61A-3rjyA:
20.09
3n61B-3rjyA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		4 PHE A 353
GLU A 203
SER A 202
VAL A 200
 None
 1.14A 3n61A-3v7iA:
undetectable
3n61B-3v7iA:
undetectable		 3n61A-3v7iA:
20.14
3n61B-3v7iA:
20.14
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.
3vh1 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME ATG7

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF16420
(ATG7_N) 		4 PHE A 172
SER A 177
VAL A  78
TRP A 179
 None
 1.28A 3n61A-3vh1A:
undetectable
3n61B-3vh1A:
undetectable		 3n61A-3vh1A:
22.09
3n61B-3vh1A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		4 PHE A  67
GLU A  73
VAL A  72
TRP A  71
 None
None
None
PVG  A 201 (-3.6A)
 1.07A 3n61A-3vv4A:
undetectable
3n61B-3vv4A:
undetectable		 3n61A-3vv4A:
19.24
3n61B-3vv4A:
19.24
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.
3vx8 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME ATG7

(Arabidopsis
thaliana) 		no annotation 4 PHE D 177
GLU D 180
SER D 212
VAL D 208
 None
 1.17A 3n61A-3vx8D:
undetectable
3n61B-3vx8D:
undetectable		 3n61A-3vx8D:
20.75
3n61B-3vx8D:
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.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		4 PHE A 136
GLU A 219
SER A 218
TRP A 217
 None
HY0  A 401 (-4.0A)
HY0  A 401 (-3.5A)
None
 1.24A 3n61A-3w0sA:
undetectable
3n61B-3w0sA:
undetectable		 3n61A-3w0sA:
19.50
3n61B-3w0sA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zog FMN-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF01613
(Flavin_Reduct) 		4 PHE A  61
GLU A 112
VAL A 132
VAL A  41
 None
 1.17A 3n61A-3zogA:
undetectable
3n61B-3zogA:
undetectable		 3n61A-3zogA:
17.95
3n61B-3zogA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		4 PHE A 158
SER A 164
VAL A 166
TRP A 165
 None
 0.93A 3n61A-3zq6A:
0.7
3n61B-3zq6A:
0.6		 3n61A-3zq6A:
21.35
3n61B-3zq6A:
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.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 TRP C2314
PHE C2329
GLU C2310
VAL C2274
 None
 1.31A 3n61A-4bgdC:
undetectable
3n61B-4bgdC:
undetectable		 3n61A-4bgdC:
20.99
3n61B-4bgdC:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bu0 S-M CHECKPOINT
CONTROL PROTEIN RAD4

(Schizosaccharomyces
pombe) 		PF12738
(PTCB-BRCT) 		4 GLU A  80
SER A  81
VAL A  83
TRP A  82
 None
 1.12A 3n61A-4bu0A:
undetectable
3n61B-4bu0A:
undetectable		 3n61A-4bu0A:
19.61
3n61B-4bu0A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4r PHOSPHATE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF01515
(PTA_PTB) 		4 GLU A 184
SER A 185
VAL A 183
VAL A 269
 None
 1.33A 3n61A-4e4rA:
undetectable
3n61B-4e4rA:
undetectable		 3n61A-4e4rA:
21.80
3n61B-4e4rA:
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.
4ezi UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 GLU A 196
SER A 200
VAL A 158
VAL A 203
 None
 1.26A 3n61A-4eziA:
undetectable
3n61B-4eziA:
0.6		 3n61A-4eziA:
20.88
3n61B-4eziA:
20.88
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.
4gym GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Conexibacter
woesei) 		no annotation 4 PHE A  91
GLU A 126
SER A 116
TRP A 125
 None
 1.22A 3n61A-4gymA:
undetectable
3n61B-4gymA:
undetectable		 3n61A-4gymA:
16.62
3n61B-4gymA:
16.62
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.
4hpe PUTATIVE CELL WALL
HYDROLASE
TN916-LIKE,CTN1-ORF1
7

(Clostridioides
difficile) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 GLU A  81
SER A  82
VAL A  80
VAL A  51
 GOL  A 406 (-2.9A)
None
None
None
 1.28A 3n61A-4hpeA:
undetectable
3n61B-4hpeA:
undetectable		 3n61A-4hpeA:
21.16
3n61B-4hpeA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		4 PHE A 397
GLU A 384
SER A 386
VAL A  61
 None
 1.14A 3n61A-4k7cA:
undetectable
3n61B-4k7cA:
undetectable		 3n61A-4k7cA:
21.11
3n61B-4k7cA:
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.
4kqt PUTATIVE OUTER
MEMBRANE CHAPERONE
(OMPH-LIKE)

(Caulobacter
vibrioides) 		PF03938
(OmpH) 		4 PHE A  48
SER A  56
VAL A  54
VAL A 180
 None
 1.17A 3n61A-4kqtA:
undetectable
3n61B-4kqtA:
undetectable		 3n61A-4kqtA:
18.18
3n61B-4kqtA:
18.18
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE B 327
GLU B 424
VAL B 351
TRP B 355
 None
 1.02A 3n61A-4l37B:
undetectable
3n61B-4l37B:
undetectable		 3n61A-4l37B:
20.83
3n61B-4l37B:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 4 PHE E  37
GLU E  39
VAL E  45
VAL E 249
 None
 1.10A 3n61A-4l95E:
undetectable
3n61B-4l95E:
undetectable		 3n61A-4l95E:
19.10
3n61B-4l95E:
19.10
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		4 PHE A 101
GLU A  97
SER A  95
VAL A 386
 None
 1.31A 3n61A-4n9xA:
undetectable
3n61B-4n9xA:
undetectable		 3n61A-4n9xA:
22.15
3n61B-4n9xA:
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.
4nk2 HEMOGLOBIN-LIKE
PROTEIN

(Methylacidiphilum
infernorum) 		PF01152
(Bac_globin) 		4 GLU A 186
SER A 185
VAL A 182
TRP A 159
 None
 1.19A 3n61A-4nk2A:
1.4
3n61B-4nk2A:
1.4		 3n61A-4nk2A:
20.05
3n61B-4nk2A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nk2 HEMOGLOBIN-LIKE
PROTEIN

(Methylacidiphilum
infernorum) 		PF01152
(Bac_globin) 		4 PHE A 191
GLU A 186
SER A 185
VAL A 182
 None
 1.16A 3n61A-4nk2A:
1.4
3n61B-4nk2A:
1.4		 3n61A-4nk2A:
20.05
3n61B-4nk2A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		4 PHE A 558
SER A 486
VAL A 511
VAL A 508
 None
None
SFG  A 700 ( 4.9A)
None
 1.23A 3n61A-4onqA:
undetectable
3n61B-4onqA:
undetectable		 3n61A-4onqA:
21.60
3n61B-4onqA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p5w CALCIUM-BINDING
MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2,CALCIUM-BIND
ING MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2

(Homo sapiens) 		no annotation 4 PHE A 273
GLU A 268
VAL A 264
VAL A 255
 None
 1.18A 3n61A-4p5wA:
undetectable
3n61B-4p5wA:
undetectable		 3n61A-4p5wA:
20.91
3n61B-4p5wA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 PHE A 583
GLU A 430
VAL A 592
VAL A 567
 None
 1.32A 3n61A-4pj3A:
undetectable
3n61B-4pj3A:
undetectable		 3n61A-4pj3A:
13.97
3n61B-4pj3A:
13.97
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.
4qiw DNA-DIRECTED RNA
POLYMERASE SUBUNIT D

(Thermococcus
kodakarensis) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		4 GLU D 188
SER D 162
VAL D 165
TRP D 168
 None
 1.23A 3n61A-4qiwD:
undetectable
3n61B-4qiwD:
undetectable		 3n61A-4qiwD:
20.52
3n61B-4qiwD:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r37 PUTATIVE
ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Bacteroides
fragilis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		4 PHE A 170
SER A 147
VAL A 128
VAL A 150
 None
 1.32A 3n61A-4r37A:
undetectable
3n61B-4r37A:
undetectable		 3n61A-4r37A:
20.96
3n61B-4r37A:
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 TRP A 140
PHE A 144
GLU A 139
VAL A  19
 None
 1.06A 3n61A-4u3vA:
undetectable
3n61B-4u3vA:
undetectable		 3n61A-4u3vA:
20.81
3n61B-4u3vA:
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLU A 306
SER A 308
VAL A 465
TRP A 369
 None
 1.24A 3n61A-4udrA:
undetectable
3n61B-4udrA:
undetectable		 3n61A-4udrA:
22.40
3n61B-4udrA:
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLU A 306
SER A 308
VAL A 465
VAL A 370
 None
 1.29A 3n61A-4udrA:
undetectable
3n61B-4udrA:
undetectable		 3n61A-4udrA:
22.40
3n61B-4udrA:
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.15A 3n61A-4xj6A:
undetectable
3n61B-4xj6A:
undetectable		 3n61A-4xj6A:
21.06
3n61B-4xj6A:
21.06
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 TRP C 550
GLU C 338
VAL C 335
VAL C 511
 None
 1.17A 3n61A-4yfaC:
undetectable
3n61B-4yfaC:
undetectable		 3n61A-4yfaC:
21.42
3n61B-4yfaC:
21.42
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		4 TRP A  72
PHE A  64
VAL A 299
VAL A 147
 None
 1.32A 3n61A-4yhsA:
undetectable
3n61B-4yhsA:
undetectable		 3n61A-4yhsA:
22.92
3n61B-4yhsA:
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		4 GLU A  32
SER A  33
VAL A  31
VAL A   8
 None
 1.22A 3n61A-4yjiA:
undetectable
3n61B-4yjiA:
undetectable		 3n61A-4yjiA:
20.60
3n61B-4yjiA:
20.60
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.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		4 PHE A 877
SER A 926
VAL A 873
VAL A 903
 None
 1.20A 3n61A-4zmhA:
undetectable
3n61B-4zmhA:
undetectable		 3n61A-4zmhA:
17.51
3n61B-4zmhA:
17.51
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 PHE A1476
SER A1423
VAL A1426
TRP A1425
 None
 1.28A 3n61A-5a31A:
undetectable
3n61B-5a31A:
undetectable		 3n61A-5a31A:
14.10
3n61B-5a31A:
14.10
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.
5b3v BILIVERDIN REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 4 PHE B  51
SER B  39
VAL B  13
VAL B  57
 None
 1.25A 3n61A-5b3vB:
undetectable
3n61B-5b3vB:
undetectable		 3n61A-5b3vB:
19.91
3n61B-5b3vB:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bni UNCHARACTERIZED
PROTEIN

(Sus scrofa) 		PF02267
(Rib_hydrolayse) 		4 PHE A  94
SER A 163
VAL A 189
TRP A 193
 None
 1.32A 3n61A-5bniA:
undetectable
3n61B-5bniA:
undetectable		 3n61A-5bniA:
21.19
3n61B-5bniA:
21.19
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.
5c9h TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		PF12009
(Telomerase_RBD) 		4 PHE A 310
GLU A 303
VAL A 435
VAL A 431
 None
 1.28A 3n61A-5c9hA:
undetectable
3n61B-5c9hA:
undetectable		 3n61A-5c9hA:
18.76
3n61B-5c9hA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cqs ELONGATOR COMPLEX
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF04762
(IKI3) 		4 PHE A 968
GLU A 982
SER A 985
VAL A 997
 None
 1.31A 3n61A-5cqsA:
undetectable
3n61B-5cqsA:
undetectable		 3n61A-5cqsA:
20.34
3n61B-5cqsA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Arabidopsis
thaliana) 		PF02446
(Glyco_hydro_77) 		4 TRP A 338
SER A 324
VAL A 384
TRP A 382
 HMC  A 606 ( 3.6A)
None
None
None
 1.28A 3n61A-5csuA:
1.0
3n61B-5csuA:
undetectable		 3n61A-5csuA:
21.72
3n61B-5csuA:
21.72
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II) 		4 PHE A 372
GLU A 367
VAL A 363
VAL A 279
 None
 0.99A 3n61A-5exeA:
undetectable
3n61B-5exeA:
undetectable		 3n61A-5exeA:
22.25
3n61B-5exeA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsx PUTATIVE
ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF02668
(TauD) 		4 PHE A 161
SER A 228
VAL A 230
VAL A 223
 None
 1.32A 3n61A-5hsxA:
undetectable
3n61B-5hsxA:
undetectable		 3n61A-5hsxA:
21.27
3n61B-5hsxA:
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.
5it0 PHOSPHOSERINE
PHOSPHATASE

(Mycobacterium
avium) 		PF12710
(HAD)
PF13740
(ACT_6) 		4 PHE A 112
GLU A 165
VAL A 161
VAL A 102
 None
 1.27A 3n61A-5it0A:
undetectable
3n61B-5it0A:
undetectable		 3n61A-5it0A:
22.85
3n61B-5it0A:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iwz SYNAPTONEMAL COMPLEX
PROTEIN 2

(Mus musculus) 		no annotation 4 TRP A 239
PHE A 249
GLU A 205
SER A 201
 None
 1.08A 3n61A-5iwzA:
undetectable
3n61B-5iwzA:
undetectable		 3n61A-5iwzA:
22.00
3n61B-5iwzA:
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.14A 3n61A-5jseA:
undetectable
3n61B-5jseA:
undetectable		 3n61A-5jseA:
21.55
3n61B-5jseA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1c WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		4 GLU B 189
SER B 187
VAL B 191
VAL B 213
 None
 1.27A 3n61A-5k1cB:
undetectable
3n61B-5k1cB:
undetectable		 3n61A-5k1cB:
20.93
3n61B-5k1cB:
20.93
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.
5ovu BETA-PROTEOBACTERIA
PROTEASOME HOMOLOGUE

(Cupriavidus
metallidurans) 		no annotation 4 PHE A  80
GLU A 126
SER A 123
VAL A 109
 None
 1.24A 3n61A-5ovuA:
undetectable
3n61B-5ovuA:
undetectable		 3n61A-5ovuA:
10.29
3n61B-5ovuA:
10.29
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.
5tul TETRACYCLINE
DESTRUCTASE TET(55)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		4 TRP A 346
PHE A 343
GLU A 349
SER A 350
 None
 1.24A 3n61A-5tulA:
undetectable
3n61B-5tulA:
undetectable		 3n61A-5tulA:
21.29
3n61B-5tulA:
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.
5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1

(Homo sapiens) 		PF00400
(WD40)
PF00931
(NB-ARC) 		4 PHE A 298
GLU A 293
VAL A 127
VAL A 324
 None
None
DTP  A1301 (-4.1A)
None
 1.28A 3n61A-5wveA:
undetectable
3n61B-5wveA:
undetectable		 3n61A-5wveA:
15.34
3n61B-5wveA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgp SECRETED XWNT8
INHIBITOR SIZZLED

(Xenopus laevis) 		PF01392
(Fz) 		4 PHE A 180
GLU A 222
VAL A 254
TRP A 224
 None
 0.89A 3n61A-5xgpA:
undetectable
3n61B-5xgpA:
undetectable		 3n61A-5xgpA:
20.14
3n61B-5xgpA:
20.14
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.
5y81 TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 PHE B3548
SER B3554
VAL B3556
VAL B3581
 None
 1.15A 3n61A-5y81B:
undetectable
3n61B-5y81B:
undetectable		 3n61A-5y81B:
12.90
3n61B-5y81B:
12.90
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.
5yfg RAN GUANINE
NUCLEOTIDE RELEASE
FACTOR

(Homo sapiens) 		no annotation 4 PHE A  68
GLU A  61
VAL A  85
VAL A  82
 None
 1.25A 3n61A-5yfgA:
undetectable
3n61B-5yfgA:
undetectable		 3n61A-5yfgA:
16.82
3n61B-5yfgA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yx2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3-LIKE

(Homo sapiens) 		no annotation 4 TRP B 324
PHE B 284
SER B 299
VAL B 297
 None
 1.31A 3n61A-5yx2B:
undetectable
3n61B-5yx2B:
1.4		 3n61A-5yx2B:
11.03
3n61B-5yx2B:
11.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zxd -

(-) 		no annotation 4 PHE A 343
GLU A 515
VAL A 513
VAL A 364
 None
None
None
ATP  A 602 ( 4.6A)
 1.25A 3n61A-5zxdA:
undetectable
3n61B-5zxdA:
undetectable		 3n61A-5zxdA:
undetectable
3n61B-5zxdA:
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.
6bnp UNCONVENTIONAL
MYOSIN-VI

(Sus scrofa) 		no annotation 4 PHE I 206
SER I 226
VAL I 210
VAL I 436
 None
 1.12A 3n61A-6bnpI:
undetectable
3n61B-6bnpI:
undetectable		 3n61A-6bnpI:
14.51
3n61B-6bnpI:
14.51
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 4 GLU X 267
SER X 266
VAL X 270
VAL X 258
 None
 1.21A 3n61A-6elqX:
0.8
3n61B-6elqX:
0.9		 3n61A-6elqX:
11.06
3n61B-6elqX:
11.06
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 4 GLU A 265
SER A 264
VAL A 262
VAL A 385
 None
 1.22A 3n61A-6et9A:
undetectable
3n61B-6et9A:
undetectable		 3n61A-6et9A:
12.68
3n61B-6et9A:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f0k POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 4 TRP C 262
PHE C 254
SER C 402
VAL C 397
 None
 1.14A 3n61A-6f0kC:
0.2
3n61B-6f0kC:
0.1		 3n61A-6f0kC:
12.81
3n61B-6f0kC:
12.81