SIMILAR PATTERNS OF AMINO ACIDS FOR 5UMW_F_RBFF201_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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 LEU A 431
VAL A 152
TYR A 420
GLU A 422
 None
 1.11A 5umwA-1b2hA:
1.8
5umwF-1b2hA:
1.5		 5umwA-1b2hA:
8.90
5umwF-1b2hA:
8.90
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		4 LEU A 276
VAL A   4
TYR A 291
GLU A 288
 None
 1.02A 5umwA-1c3rA:
0.0
5umwF-1c3rA:
0.0		 5umwA-1c3rA:
11.27
5umwF-1c3rA:
11.27
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.
1h4u NIDOGEN-1

(Mus musculus) 		PF07474
(G2F) 		4 LEU A 457
TYR A 540
GLU A 542
SER A 555
 None
 1.21A 5umwA-1h4uA:
0.8
5umwF-1h4uA:
0.3		 5umwA-1h4uA:
14.29
5umwF-1h4uA:
14.29
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		4 LEU A 176
VAL A 515
GLU A 520
SER A 516
 None
 1.33A 5umwA-1h7wA:
0.0
5umwF-1h7wA:
0.0		 5umwA-1h7wA:
5.56
5umwF-1h7wA:
5.56
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 LEU A 324
VAL A 378
TYR A 316
SER A 336
 None
 1.31A 5umwA-1jxkA:
0.0
5umwF-1jxkA:
0.0		 5umwA-1jxkA:
11.60
5umwF-1jxkA:
11.60
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.
1q44 STEROID
SULFOTRANSFERASE

(Arabidopsis
thaliana) 		PF00685
(Sulfotransfer_1) 		4 VAL A  35
TYR A  39
GLU A  37
SER A  36
 None
 1.24A 5umwA-1q44A:
0.0
5umwF-1q44A:
0.0		 5umwA-1q44A:
17.43
5umwF-1q44A:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgi PROTEIN
(CHITOSANASE)

(Bacillus
circulans) 		PF01374
(Glyco_hydro_46) 		4 LEU A 190
VAL A 165
GLU A 199
SER A 163
 None
 1.15A 5umwA-1qgiA:
0.0
5umwF-1qgiA:
0.0		 5umwA-1qgiA:
15.12
5umwF-1qgiA:
15.12
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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		4 LEU A 129
TRP A 459
GLU A 160
SER A 492
 None
 1.23A 5umwA-1qu2A:
undetectable
5umwF-1qu2A:
0.0		 5umwA-1qu2A:
6.71
5umwF-1qu2A:
6.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 TRP A  93
ARG A 104
VAL A  27
SER A  83
 None
 1.32A 5umwA-1r8wA:
0.0
5umwF-1r8wA:
0.0		 5umwA-1r8wA:
7.29
5umwF-1r8wA:
7.29
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 VAL A 556
TYR A 537
GLU A 496
SER A 492
 None
 1.23A 5umwA-1r9jA:
undetectable
5umwF-1r9jA:
undetectable		 5umwA-1r9jA:
8.70
5umwF-1r9jA:
8.70
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.
1rq1 HYPOTHETICAL 65.0
KDA PROTEIN IN
COX14-COS3
INTERGENIC REGION
PRECURSOR

(Saccharomyces
cerevisiae) 		PF04137
(ERO1) 		4 LEU A  74
ARG A 405
GLU A 411
SER A 412
 None
CD  A 813 ( 4.6A)
None
None
 1.15A 5umwA-1rq1A:
undetectable
5umwF-1rq1A:
undetectable		 5umwA-1rq1A:
14.01
5umwF-1rq1A:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ta3 ENDO-1,4-BETA-XYLANA
SE

(Aspergillus
nidulans) 		PF00331
(Glyco_hydro_10) 		4 ARG B 158
TYR B 167
GLU B 231
SER B 230
 EDO  B1006 (-4.2A)
None
None
None
 1.24A 5umwA-1ta3B:
undetectable
5umwF-1ta3B:
undetectable		 5umwA-1ta3B:
12.88
5umwF-1ta3B:
12.88
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.
1ta3 ENDO-1,4-BETA-XYLANA
SE

(Aspergillus
nidulans) 		PF00331
(Glyco_hydro_10) 		4 VAL B 229
TYR B 167
GLU B 231
SER B 230
 None
 1.23A 5umwA-1ta3B:
undetectable
5umwF-1ta3B:
undetectable		 5umwA-1ta3B:
12.88
5umwF-1ta3B:
12.88
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.
1tt7 YHFP

(Bacillus
subtilis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A  96
TYR A 275
GLU A  93
SER A  97
 None
 1.20A 5umwA-1tt7A:
undetectable
5umwF-1tt7A:
undetectable		 5umwA-1tt7A:
14.55
5umwF-1tt7A:
14.55
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.
1w36 EXODEOXYRIBONUCLEASE
V GAMMA CHAIN

(Escherichia
coli) 		PF04257
(Exonuc_V_gamma) 		4 LEU C1035
TYR C1090
GLU C1084
SER C1041
 None
 0.88A 5umwA-1w36C:
undetectable
5umwF-1w36C:
undetectable		 5umwA-1w36C:
5.05
5umwF-1w36C:
5.05
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.
1wpx CARBOXYPEPTIDASE Y
INHIBITOR

(Saccharomyces
cerevisiae) 		PF01161
(PBP) 		4 TRP B 688
TYR B 690
GLU B 703
SER B 680
 None
 1.32A 5umwA-1wpxB:
undetectable
5umwF-1wpxB:
undetectable		 5umwA-1wpxB:
18.18
5umwF-1wpxB:
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.
1ypz T-CELL RECEPTOR
GAMMA CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU F  86
VAL F 161
GLU F 213
SER F  10
 None
 1.31A 5umwA-1ypzF:
undetectable
5umwF-1ypzF:
undetectable		 5umwA-1ypzF:
16.16
5umwF-1ypzF:
16.16
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.
1yxo 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 1

(Pseudomonas
aeruginosa) 		PF04166
(PdxA) 		4 LEU A1100
ARG A1291
VAL A1148
GLU A1137
 None
 1.26A 5umwA-1yxoA:
0.3
5umwF-1yxoA:
undetectable		 5umwA-1yxoA:
13.70
5umwF-1yxoA:
13.70
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.
2a3n PUTATIVE
GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01380
(SIS) 		4 LEU A  97
VAL A 317
GLU A 220
SER A 313
 None
 1.16A 5umwA-2a3nA:
undetectable
5umwF-2a3nA:
undetectable		 5umwA-2a3nA:
14.04
5umwF-2a3nA:
14.04
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.
2a9m FLUORESCEIN-SCFV
HEAVY CHAIN
FLUORESCEIN-SCFV
LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 LEU L 138
TRP H  54
VAL H  74
SER H  73
 None
 1.16A 5umwA-2a9mL:
undetectable
5umwF-2a9mL:
undetectable		 5umwA-2a9mL:
18.18
5umwF-2a9mL:
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.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 LEU X 458
ARG X 480
TYR X 507
GLU X  20
 None
 1.31A 5umwA-2b5dX:
undetectable
5umwF-2b5dX:
undetectable		 5umwA-2b5dX:
9.63
5umwF-2b5dX:
9.63
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.
2bol SMALL HEAT SHOCK
PROTEIN

(Taenia saginata) 		PF00011
(HSP20) 		4 LEU A  97
VAL A 166
TYR A 104
SER A 165
 None
 0.88A 5umwA-2bolA:
undetectable
5umwF-2bolA:
undetectable		 5umwA-2bolA:
14.06
5umwF-2bolA:
14.06
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.
2d5w PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF00496
(SBP_bac_5) 		4 LEU A  19
VAL A 273
GLU A  35
SER A 271
 None
 1.30A 5umwA-2d5wA:
2.7
5umwF-2d5wA:
1.2		 5umwA-2d5wA:
7.36
5umwF-2d5wA:
7.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dm9 V-TYPE ATP SYNTHASE
SUBUNIT E

(Pyrococcus
horikoshii) 		PF01991
(vATP-synt_E) 		4 LEU A  87
VAL A 162
TYR A 102
SER A 126
 None
 1.20A 5umwA-2dm9A:
undetectable
5umwF-2dm9A:
undetectable		 5umwA-2dm9A:
13.07
5umwF-2dm9A:
13.07
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.
2jgz CELL DIVISION
PROTEIN KINASE 2
G2/MITOTIC-SPECIFIC
CYCLIN-B1

(Homo sapiens) 		PF00069
(Pkinase)
PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		4 LEU B 301
VAL A 123
TYR B 177
GLU A  57
 None
 1.24A 5umwA-2jgzB:
undetectable
5umwF-2jgzB:
undetectable		 5umwA-2jgzB:
16.22
5umwF-2jgzB:
16.22
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.
2ju7 FATTY ACID-BINDING
PROTEIN, LIVER

(Rattus
norvegicus) 		PF14651
(Lipocalin_7) 		4 LEU A  71
VAL A   9
TYR A 120
SER A 124
 None
 1.28A 5umwA-2ju7A:
undetectable
5umwF-2ju7A:
undetectable		 5umwA-2ju7A:
19.08
5umwF-2ju7A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lf8 TRANSCRIPTION FACTOR
ETV6

(Mus musculus) 		PF00178
(Ets) 		4 LEU A 372
VAL A 437
TYR A 397
GLU A 434
 None
 1.33A 5umwA-2lf8A:
undetectable
5umwF-2lf8A:
undetectable		 5umwA-2lf8A:
23.66
5umwF-2lf8A:
23.66
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.
2n93 FATTY ACID-BINDING
PROTEIN

(Luciola cerata) 		PF14651
(Lipocalin_7) 		4 LEU A  95
ARG A 103
GLU A  69
SER A  53
 None
 1.21A 5umwA-2n93A:
undetectable
5umwF-2n93A:
undetectable		 5umwA-2n93A:
18.90
5umwF-2n93A:
18.90
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.
2p0l LIPOATE-PROTEIN
LIGASE A

(Streptococcus
agalactiae) 		PF03099
(BPL_LplA_LipB) 		4 LEU A  49
VAL A 231
TYR A  19
GLU A 232
 None
 1.12A 5umwA-2p0lA:
undetectable
5umwF-2p0lA:
undetectable		 5umwA-2p0lA:
12.37
5umwF-2p0lA:
12.37
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.
2pwj MITOCHONDRIAL
PEROXIREDOXIN

(Pisum sativum) 		PF08534
(Redoxin) 		4 VAL A  46
TYR A 109
GLU A 107
SER A  81
 None
 0.87A 5umwA-2pwjA:
undetectable
5umwF-2pwjA:
undetectable		 5umwA-2pwjA:
18.56
5umwF-2pwjA:
18.56
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.
2qgx UBIQUITIN-CONJUGATIN
G ENZYME E2 Q1

(Homo sapiens) 		PF00179
(UQ_con) 		4 TRP A 113
ARG A   8
VAL A 122
SER A 121
 None
 1.27A 5umwA-2qgxA:
undetectable
5umwF-2qgxA:
undetectable		 5umwA-2qgxA:
21.47
5umwF-2qgxA:
21.47
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.
2rha TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Novosphingobium
aromaticivorans) 		PF14514
(TetR_C_9) 		4 LEU A  67
VAL A  78
TYR A 163
SER A  77
 None
 1.31A 5umwA-2rhaA:
undetectable
5umwF-2rhaA:
undetectable		 5umwA-2rhaA:
13.15
5umwF-2rhaA:
13.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ypj ENDOGLUCANASE CEL5A

([Eubacterium]
cellulosolvens) 		no annotation 4 LEU A 683
TRP A 646
GLU A 612
SER A 609
 None
BGC  A1712 (-3.9A)
XYS  A1715 ( 4.9A)
None
 1.27A 5umwA-2ypjA:
undetectable
5umwF-2ypjA:
undetectable		 5umwA-2ypjA:
30.46
5umwF-2ypjA:
30.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		4 LEU A 431
VAL A 152
TYR A 420
GLU A 422
 None
 1.09A 5umwA-2z23A:
undetectable
5umwF-2z23A:
2.0		 5umwA-2z23A:
10.53
5umwF-2z23A:
10.53
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.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 LEU B 121
VAL B  88
TYR B  83
SER B  87
 None
 1.29A 5umwA-2z7xB:
undetectable
5umwF-2z7xB:
undetectable		 5umwA-2z7xB:
9.13
5umwF-2z7xB:
9.13
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		4 TRP A 246
VAL A 203
TYR A 244
SER A 201
 None
 1.25A 5umwA-3b9tA:
undetectable
5umwF-3b9tA:
undetectable		 5umwA-3b9tA:
11.28
5umwF-3b9tA:
11.28
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.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		4 LEU A 529
ARG A 537
VAL A 725
TYR A 703
 None
CIT  A2000 (-4.1A)
None
None
 1.14A 5umwA-3bdlA:
undetectable
5umwF-3bdlA:
undetectable		 5umwA-3bdlA:
9.89
5umwF-3bdlA:
9.89
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.
3bxw CHITINASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 4 LEU B 360
VAL B 204
TYR B 239
SER B 235
 None
 1.21A 5umwA-3bxwB:
undetectable
5umwF-3bxwB:
undetectable		 5umwA-3bxwB:
15.65
5umwF-3bxwB:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		4 TRP A 120
VAL A 147
TYR A 122
GLU A 151
 None
 1.22A 5umwA-3cboA:
undetectable
5umwF-3cboA:
undetectable		 5umwA-3cboA:
14.81
5umwF-3cboA:
14.81
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.
3ccy PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Bordetella
parapertussis) 		PF00440
(TetR_N) 		4 LEU A 124
TYR A  29
GLU A  56
SER A  54
 None
 1.29A 5umwA-3ccyA:
undetectable
5umwF-3ccyA:
undetectable		 5umwA-3ccyA:
16.24
5umwF-3ccyA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A  40
VAL A 539
TYR A 125
GLU A 113
 None
 1.26A 5umwA-3dkhA:
undetectable
5umwF-3dkhA:
undetectable		 5umwA-3dkhA:
10.68
5umwF-3dkhA:
10.68
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.
3e0j DNA POLYMERASE
SUBUNIT DELTA-3

(Homo sapiens) 		PF09507
(CDC27) 		4 LEU B 114
VAL B  45
TYR B  61
GLU B  82
 None
 1.31A 5umwA-3e0jB:
undetectable
5umwF-3e0jB:
undetectable		 5umwA-3e0jB:
14.48
5umwF-3e0jB:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fe5 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Bos taurus) 		PF06052
(3-HAO) 		4 LEU A 116
ARG A  43
VAL A 103
GLU A  53
 None
None
None
FE  A   1 (-1.9A)
 1.31A 5umwA-3fe5A:
undetectable
5umwF-3fe5A:
undetectable		 5umwA-3fe5A:
13.57
5umwF-3fe5A:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0q A/G-SPECIFIC ADENINE
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD)
PF14815
(NUDIX_4) 		4 LEU A 310
VAL A 241
GLU A 267
SER A 270
 None
 1.04A 5umwA-3g0qA:
undetectable
5umwF-3g0qA:
undetectable		 5umwA-3g0qA:
10.95
5umwF-3g0qA:
10.95
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.
3hlm ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Mus musculus) 		PF00155
(Aminotran_1_2) 		4 VAL A  80
TYR A  75
GLU A 343
SER A  79
 None
GOL  A 431 (-3.5A)
None
None
 1.32A 5umwA-3hlmA:
undetectable
5umwF-3hlmA:
undetectable		 5umwA-3hlmA:
11.62
5umwF-3hlmA:
11.62
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.
3kfo NUCLEOPORIN NUP133

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A1090
ARG A1043
GLU A1004
SER A1007
 None
 1.20A 5umwA-3kfoA:
undetectable
5umwF-3kfoA:
undetectable		 5umwA-3kfoA:
17.05
5umwF-3kfoA:
17.05
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 LEU A 203
ARG A 222
GLU A 265
SER A 421
 None
 1.28A 5umwA-3l76A:
undetectable
5umwF-3l76A:
undetectable		 5umwA-3l76A:
8.65
5umwF-3l76A:
8.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n92 ALPHA-AMYLASE, GH57
FAMILY

(Thermococcus
kodakarensis) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 LEU A 306
TRP A 297
TYR A  97
SER A 292
 None
 1.32A 5umwA-3n92A:
undetectable
5umwF-3n92A:
undetectable		 5umwA-3n92A:
9.58
5umwF-3n92A:
9.58
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.
3nrb FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Pseudomonas
putida) 		PF00551
(Formyl_trans_N)
PF01842
(ACT) 		4 LEU A 267
VAL A   8
GLU A  36
SER A  53
 None
EDO  A 290 ( 4.6A)
None
None
 1.32A 5umwA-3nrbA:
undetectable
5umwF-3nrbA:
undetectable		 5umwA-3nrbA:
13.12
5umwF-3nrbA:
13.12
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.
3odx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		4 LEU A 424
ARG A 499
GLU A 561
SER A 512
 None
 1.26A 5umwA-3odxA:
undetectable
5umwF-3odxA:
undetectable		 5umwA-3odxA:
11.31
5umwF-3odxA:
11.31
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.
3os6 ISOCHORISMATE
SYNTHASE DHBC

(Bacillus
anthracis) 		PF00425
(Chorismate_bind) 		4 LEU A 232
VAL A 366
GLU A 374
SER A 369
 None
 1.31A 5umwA-3os6A:
undetectable
5umwF-3os6A:
0.1		 5umwA-3os6A:
11.28
5umwF-3os6A:
11.28
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.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A  41
VAL A 544
TYR A 126
GLU A 114
 None
 1.14A 5umwA-3ppsA:
undetectable
5umwF-3ppsA:
undetectable		 5umwA-3ppsA:
9.09
5umwF-3ppsA:
9.09
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.
3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Candida
albicans) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 LEU A 401
VAL A 116
TYR A 352
SER A 115
 None
 1.07A 5umwA-3qo7A:
0.6
5umwF-3qo7A:
0.3		 5umwA-3qo7A:
10.59
5umwF-3qo7A:
10.59
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.
3skd PUTATIVE
UNCHARACTERIZED
PROTEIN TTHB187

(Thermus
thermophilus) 		no annotation 4 LEU A 134
VAL A  35
TYR A  47
GLU A 255
 None
 1.25A 5umwA-3skdA:
undetectable
5umwF-3skdA:
undetectable		 5umwA-3skdA:
17.94
5umwF-3skdA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 LEU A 329
VAL A 384
TYR A 321
SER A 341
 None
 1.32A 5umwA-3vm5A:
undetectable
5umwF-3vm5A:
undetectable		 5umwA-3vm5A:
10.23
5umwF-3vm5A:
10.23
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.
3waf IRON ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING PROTEIN

(Thermus
thermophilus) 		PF13416
(SBP_bac_8) 		4 ARG A  49
VAL A  39
TYR A  54
GLU A  36
 None
 0.95A 5umwA-3wafA:
undetectable
5umwF-3wafA:
undetectable		 5umwA-3wafA:
14.39
5umwF-3wafA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Pseudomonas
aeruginosa) 		PF00483
(NTP_transferase) 		4 LEU A 242
VAL A 292
TYR A 283
GLU A 255
 None
None
None
N5Y  A1294 (-3.5A)
 0.92A 5umwA-4asyA:
undetectable
5umwF-4asyA:
undetectable		 5umwA-4asyA:
13.31
5umwF-4asyA:
13.31
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.
4d4z DEOXYHYPUSINE
HYDROXYLASE

(Homo sapiens) 		PF13646
(HEAT_2) 		4 LEU A  28
VAL A 268
GLU A 244
SER A 272
 None
 1.23A 5umwA-4d4zA:
undetectable
5umwF-4d4zA:
undetectable		 5umwA-4d4zA:
13.99
5umwF-4d4zA:
13.99
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.
4e8d GLYCOSYL HYDROLASE,
FAMILY 35

(Streptococcus
pneumoniae) 		PF01301
(Glyco_hydro_35) 		4 LEU A 460
TYR A 166
GLU A 154
SER A  92
 None
 1.16A 5umwA-4e8dA:
undetectable
5umwF-4e8dA:
undetectable		 5umwA-4e8dA:
8.75
5umwF-4e8dA:
8.75
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.
4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Bacillus
anthracis) 		PF00144
(Beta-lactamase) 		4 LEU A 201
TRP A  44
VAL A 287
TYR A  54
 None
 1.09A 5umwA-4gb7A:
undetectable
5umwF-4gb7A:
undetectable		 5umwA-4gb7A:
13.18
5umwF-4gb7A:
13.18
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.
4gnk 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 LEU B 210
TYR B 279
GLU B 303
SER B 148
 None
 1.24A 5umwA-4gnkB:
undetectable
5umwF-4gnkB:
undetectable		 5umwA-4gnkB:
5.30
5umwF-4gnkB:
5.30
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.
4gwr PROTEIN
DISULFIDE-ISOMERASE
A6

(Homo sapiens) 		PF00085
(Thioredoxin) 		4 LEU A 228
VAL A 162
TYR A 186
GLU A 164
 None
 1.15A 5umwA-4gwrA:
undetectable
5umwF-4gwrA:
undetectable		 5umwA-4gwrA:
23.44
5umwF-4gwrA:
23.44
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.
4k05 CONSERVED
HYPOTHETICAL
EXPORTED PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		4 LEU A 311
TRP A 399
TYR A 407
GLU A 186
 None
 1.25A 5umwA-4k05A:
undetectable
5umwF-4k05A:
undetectable		 5umwA-4k05A:
10.83
5umwF-4k05A:
10.83
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.
4mir PUTATIVE
UNCHARACTERIZED
PROTEIN

(Brucella
abortus) 		PF09864
(MliC) 		4 LEU A  52
VAL A  91
GLU A  72
SER A  90
 None
 1.18A 5umwA-4mirA:
undetectable
5umwF-4mirA:
undetectable		 5umwA-4mirA:
19.42
5umwF-4mirA:
19.42
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.
4nnp LIPOPROTEIN

(Staphylococcus
aureus) 		PF01297
(ZnuA) 		4 LEU A  92
VAL A 254
GLU A 206
SER A 257
 None
 1.26A 5umwA-4nnpA:
undetectable
5umwF-4nnpA:
undetectable		 5umwA-4nnpA:
13.06
5umwF-4nnpA:
13.06
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.
4nvr PUTATIVE
ACYLTRANSFERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		4 LEU A  68
TYR A 206
GLU A 286
SER A 283
 None
 1.19A 5umwA-4nvrA:
undetectable
5umwF-4nvrA:
undetectable		 5umwA-4nvrA:
13.61
5umwF-4nvrA:
13.61
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 LEU B   3
VAL B  73
TYR B  79
GLU B 327
 SAC  B   2 ( 4.0A)
None
None
None
 1.16A 5umwA-4ouaB:
undetectable
5umwF-4ouaB:
undetectable		 5umwA-4ouaB:
9.07
5umwF-4ouaB:
9.07
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 LEU A   3
VAL A  73
TYR A  79
GLU A 327
 SAC  A   2 ( 4.1A)
None
None
None
 1.09A 5umwA-4ouaA:
undetectable
5umwF-4ouaA:
undetectable		 5umwA-4ouaA:
11.26
5umwF-4ouaA:
11.26
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.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 LEU B 210
TYR B 279
GLU B 303
SER B 148
 None
 1.21A 5umwA-4qj4B:
undetectable
5umwF-4qj4B:
undetectable		 5umwA-4qj4B:
7.84
5umwF-4qj4B:
7.84
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.
4r1u CINNAMOYL COA
REDUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		4 LEU A 142
TRP A 139
VAL A 176
SER A 117
 None
 1.17A 5umwA-4r1uA:
undetectable
5umwF-4r1uA:
undetectable		 5umwA-4r1uA:
13.89
5umwF-4r1uA:
13.89
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ARG A2347
TYR A1318
GLU A1322
SER A1326
 None
 1.25A 5umwA-4rh7A:
undetectable
5umwF-4rh7A:
undetectable		 5umwA-4rh7A:
2.24
5umwF-4rh7A:
2.24
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.
4umz CYTOCHROME P450
HYDROXYLASE PIKC

(Streptomyces
venezuelae) 		PF00067
(p450) 		4 LEU A  20
VAL A 318
GLU A 291
SER A 292
 None
 1.25A 5umwA-4umzA:
0.8
5umwF-4umzA:
0.8		 5umwA-4umzA:
14.29
5umwF-4umzA:
14.29
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		4 LEU A 305
TYR A 243
GLU A 198
SER A 201
 None
 1.08A 5umwA-4upiA:
undetectable
5umwF-4upiA:
undetectable		 5umwA-4upiA:
9.04
5umwF-4upiA:
9.04
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.
4yec CLOSTRIPAIN FAMILY

(Parabacteroides
merdae) 		PF03415
(Peptidase_C11) 		4 VAL A 109
TYR A  99
GLU A 116
SER A 112
 None
 1.31A 5umwA-4yecA:
undetectable
5umwF-4yecA:
undetectable		 5umwA-4yecA:
22.40
5umwF-4yecA:
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.
4yh2 GLUTATHIONE S
TRANSFERASE E6

(Drosophila
melanogaster) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		4 LEU A 157
TRP A 188
VAL A 168
SER A 167
 None
 1.20A 5umwA-4yh2A:
undetectable
5umwF-4yh2A:
undetectable		 5umwA-4yh2A:
16.59
5umwF-4yh2A:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 LEU A 618
TYR A 674
GLU A 625
SER A 746
 None
 1.01A 5umwA-5a7mA:
undetectable
5umwF-5a7mA:
undetectable		 5umwA-5a7mA:
6.14
5umwF-5a7mA:
6.14
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.
5az0 UNCHARACTERIZED
PROTEIN

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		4 ARG A 111
VAL A 147
GLU A 145
SER A 143
 None
 1.25A 5umwA-5az0A:
undetectable
5umwF-5az0A:
undetectable		 5umwA-5az0A:
12.25
5umwF-5az0A:
12.25
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.
5bo4 SUPPRESSOR OF
CYTOKINE SIGNALING 2

(Homo sapiens) 		PF00017
(SH2)
PF07525
(SOCS_box) 		5 LEU A 169
TRP A  48
VAL A 122
GLU A  42
SER A 121
 None
 1.28A 5umwA-5bo4A:
undetectable
5umwF-5bo4A:
undetectable		 5umwA-5bo4A:
19.65
5umwF-5bo4A:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5du3 PLASMA PROTEASE C1
INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A 331
TRP A 460
VAL A 125
SER A 128
 None
 1.15A 5umwA-5du3A:
undetectable
5umwF-5du3A:
undetectable		 5umwA-5du3A:
10.18
5umwF-5du3A:
10.18
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.
5ed4 RESPONSE REGULATOR

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 LEU A 151
VAL A 202
GLU A 127
SER A 124
 None
 1.28A 5umwA-5ed4A:
undetectable
5umwF-5ed4A:
undetectable		 5umwA-5ed4A:
16.06
5umwF-5ed4A:
16.06
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.
5ekp UNCHARACTERIZED
GLYCOSYLTRANSFERASE
SLL0501

(Synechocystis
sp. PCC 6803) 		no annotation 4 LEU C 312
VAL C  90
GLU C  37
SER C   6
 None
 1.29A 5umwA-5ekpC:
undetectable
5umwF-5ekpC:
undetectable		 5umwA-5ekpC:
16.17
5umwF-5ekpC:
16.17
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.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 ARG A 620
TYR A 772
GLU A 273
SER A 180
 None
 1.01A 5umwA-5enoA:
1.8
5umwF-5enoA:
1.6		 5umwA-5enoA:
8.35
5umwF-5enoA:
8.35
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.
5ft3 GLUTATHIONE
S-TRANSFERASE
EPSILON 2

(Aedes aegypti) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 LEU A 155
TRP A 186
VAL A 166
SER A 165
 None
 1.08A 5umwA-5ft3A:
undetectable
5umwF-5ft3A:
undetectable		 5umwA-5ft3A:
19.29
5umwF-5ft3A:
19.29
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.
5ft3 GLUTATHIONE
S-TRANSFERASE
EPSILON 2

(Aedes aegypti) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 TRP A 186
VAL A 166
GLU A 103
SER A 165
 None
 1.31A 5umwA-5ft3A:
undetectable
5umwF-5ft3A:
undetectable		 5umwA-5ft3A:
19.29
5umwF-5ft3A:
19.29
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.
5g0a TRANSAMINASE

(Bacillus
megaterium) 		PF00202
(Aminotran_3) 		4 ARG A 256
TYR A 135
GLU A 315
SER A 313
 PEG  A1477 (-4.4A)
PGE  A1479 (-4.4A)
PGE  A1479 (-3.2A)
PEG  A1477 ( 4.4A)
 1.10A 5umwA-5g0aA:
undetectable
5umwF-5g0aA:
undetectable		 5umwA-5g0aA:
10.13
5umwF-5g0aA:
10.13
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.
5ify GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		4 LEU A 242
VAL A 292
TYR A 283
GLU A 255
 None
None
None
UMP  A 501 (-3.3A)
 1.00A 5umwA-5ifyA:
undetectable
5umwF-5ifyA:
undetectable		 5umwA-5ifyA:
14.85
5umwF-5ifyA:
14.85
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		4 LEU A1243
VAL A1103
GLU A1077
SER A1101
 None
 1.08A 5umwA-5jbeA:
undetectable
5umwF-5jbeA:
undetectable		 5umwA-5jbeA:
6.40
5umwF-5jbeA:
6.40
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.
5jzd ISOCHORISMATE
SYNTHASE ENTC

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		4 LEU A 232
VAL A 365
GLU A 373
SER A 368
 None
None
MG  A 402 ( 4.5A)
None
 1.27A 5umwA-5jzdA:
undetectable
5umwF-5jzdA:
undetectable		 5umwA-5jzdA:
12.03
5umwF-5jzdA:
12.03
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.
5lxe F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE 1

(Rhodococcus
jostii) 		PF00296
(Bac_luciferase) 		4 LEU A 251
VAL A  73
GLU A 229
SER A  72
 None
 1.04A 5umwA-5lxeA:
undetectable
5umwF-5lxeA:
undetectable		 5umwA-5lxeA:
15.84
5umwF-5lxeA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5voc ENVELOPE
GLYCOPROTEIN H

(Human
betaherpesvirus
5) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		4 LEU A 497
ARG A 534
VAL A 591
SER A 579
 None
 1.27A 5umwA-5vocA:
undetectable
5umwF-5vocA:
undetectable		 5umwA-5vocA:
7.90
5umwF-5vocA:
7.90
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.
5x1e ICMO (DOTL)
ICMW

(Legionella
pneumophila) 		no annotation 4 LEU C 681
TYR C 743
GLU B  32
SER B  79
 None
 1.17A 5umwA-5x1eC:
undetectable
5umwF-5x1eC:
undetectable		 5umwA-5x1eC:
25.66
5umwF-5x1eC:
25.66
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.
5x1e ICMO (DOTL)
ICMW

(Legionella
pneumophila) 		no annotation 4 LEU C 702
TYR C 743
GLU B  32
SER B  79
 None
 1.27A 5umwA-5x1eC:
undetectable
5umwF-5x1eC:
undetectable		 5umwA-5x1eC:
25.66
5umwF-5x1eC:
25.66
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 LEU A  64
TYR A 273
GLU A 283
SER A 281
 None
 1.19A 5umwA-5x1nA:
undetectable
5umwF-5x1nA:
undetectable		 5umwA-5x1nA:
8.86
5umwF-5x1nA:
8.86
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 4 ARG A 404
VAL A 408
GLU A 500
SER A 461
 None
 1.25A 5umwA-5z9sA:
undetectable
5umwF-5z9sA:
undetectable		 5umwA-5z9sA:
20.88
5umwF-5z9sA:
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 4 LEU A 170
VAL A 705
GLU A 384
SER A 617
 None
 1.33A 5umwA-5z9sA:
undetectable
5umwF-5z9sA:
undetectable		 5umwA-5z9sA:
20.88
5umwF-5z9sA:
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 4 LEU A 174
VAL A 705
GLU A 384
SER A 617
 None
 1.27A 5umwA-5z9sA:
undetectable
5umwF-5z9sA:
undetectable		 5umwA-5z9sA:
20.88
5umwF-5z9sA:
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.
6bxa TOLL-LIKE RECEPTOR
5B, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA
VARIABLE LYMPHOCYTE
RECEPTOR 2

(Danio rerio;
Eptatretus
burgeri;
Petromyzon
marinus) 		no annotation 4 LEU A  54
VAL C  53
TYR C 103
GLU C 101
 None
 1.24A 5umwA-6bxaA:
undetectable
5umwF-6bxaA:
undetectable		 5umwA-6bxaA:
21.59
5umwF-6bxaA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c0f PROTEASOME-INTERACTI
NG PROTEIN CIC1

(Saccharomyces
cerevisiae) 		no annotation 4 LEU K  74
TRP K 253
GLU K 203
SER K 178
 None
 1.27A 5umwA-6c0fK:
undetectable
5umwF-6c0fK:
undetectable		 5umwA-6c0fK:
19.54
5umwF-6c0fK:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 LEU A2404
ARG A2216
VAL A2242
TYR A2426
 None
 1.31A 5umwA-6fb3A:
2.4
5umwF-6fb3A:
1.7		 5umwA-6fb3A:
21.43
5umwF-6fb3A:
21.43