SIMILAR PATTERNS OF AMINO ACIDS FOR 4UCK_A_SAMA2409_0

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.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 THR A  69
GLY A 242
GLY A 240
GLY A 172
ALA A 270
 None
 0.82A 4uckA-1g68A:
undetectable		 4uckA-1g68A:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1e MYCOLIC ACID
SYNTHASE

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
GLY A  76
LEU A  95
ALA A 138
 SAH  A 900 (-3.1A)
SAH  A 900 (-3.4A)
None
SAH  A 900 (-4.1A)
SAH  A 900 (-3.4A)
 0.91A 4uckA-1l1eA:
6.6		 4uckA-1l1eA:
22.82
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 THR A  17
GLY A  41
GLY A  43
GLY A  45
ALA A  91
 SAH  A 801 (-3.7A)
SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
SAH  A 801 (-4.0A)
SAH  A 801 (-3.2A)
 0.61A 4uckA-1l3iA:
7.6		 4uckA-1l3iA:
17.52
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.
1lnz SPO0B-ASSOCIATED
GTP-BINDING PROTEIN

(Bacillus
subtilis) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 GLY A  41
GLY A  16
GLY A 123
ALA A  66
ALA A  82
 None
 0.95A 4uckA-1lnzA:
undetectable		 4uckA-1lnzA:
21.61
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.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		5 GLY A  66
GLU A 181
GLY A  64
GLY A  21
SER A  69
 None
ADN  A1237 (-3.0A)
None
SO4  A1236 (-3.1A)
None
 0.97A 4uckA-1odiA:
undetectable		 4uckA-1odiA:
20.95
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		6 GLY A 153
GLU A 174
GLY A 159
GLY A 161
ASN A  88
SER A 178
 None
 1.33A 4uckA-1qleA:
undetectable		 4uckA-1qleA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE III

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00115
(COX1)
PF00510
(COX3) 		6 GLY A 153
GLU A 174
GLY A 159
GLY A 161
ASN A  88
THR C  39
 None
 1.36A 4uckA-1qleA:
undetectable		 4uckA-1qleA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY B  30
GLY B  34
GLY B  37
THR B  68
ALA B  58
 None
 0.95A 4uckA-1qs0B:
undetectable		 4uckA-1qs0B:
21.48
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 THR A  32
GLY A   7
GLY A   5
ALA A 231
ALA A  56
 None
 0.76A 4uckA-1sgvA:
undetectable		 4uckA-1sgvA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1shz GUANINE
NUCLEOTIDE-BINDING
PROTEIN
GALPHA(13):GALPHA(I1
) CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00503
(G-alpha) 		6 GLY A  60
GLY A  57
GLY A 225
SER A  59
ALA A 348
THR A 349
 GDP  A 475 (-3.2A)
ALF  A 378 (-3.3A)
ALF  A 378 (-3.2A)
GDP  A 475 (-3.4A)
GDP  A 475 (-3.5A)
GDP  A 475 (-3.8A)
 1.35A 4uckA-1shzA:
undetectable		 4uckA-1shzA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 THR A  63
GLY A  87
GLY A  91
ALA A 140
ALA A 164
 SAH  A 301 ( 2.8A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
 0.82A 4uckA-1susA:
8.1		 4uckA-1susA:
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.
1tnd TRANSDUCIN

(Bos taurus) 		PF00503
(G-alpha) 		6 GLY A  41
GLY A  38
GLY A 199
SER A  40
ALA A 322
THR A 323
 GSP  A 351 (-3.3A)
GSP  A 351 ( 3.8A)
GSP  A 351 (-3.6A)
GSP  A 351 (-3.2A)
GSP  A 351 (-3.5A)
GSP  A 351 (-3.7A)
 1.42A 4uckA-1tndA:
undetectable		 4uckA-1tndA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
GLY A  76
LEU A  95
ALA A 138
 SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
None
SAH  A1900 (-4.3A)
SAH  A1900 (-3.1A)
 0.96A 4uckA-1tpyA:
6.6		 4uckA-1tpyA:
22.46
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		6 GLY A 243
GLY A  50
GLY A 136
ASN A  53
ALA A 347
THR A 348
 DBO  A1001 (-4.2A)
DBO  A1001 (-3.7A)
None
None
None
None
 1.14A 4uckA-2ewyA:
undetectable		 4uckA-2ewyA:
21.94
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		6 GLY A 223
GLY A  35
GLY A 124
ALA A 312
THR A 313
ALA A 224
 4IG  A 885 (-3.9A)
4IG  A 885 (-3.5A)
None
None
None
4IG  A 885 ( 4.7A)
 1.24A 4uckA-2g1sA:
undetectable		 4uckA-2g1sA:
21.71
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		6 GLY A 223
GLY A  35
GLY A 124
ASN A  38
ALA A 312
THR A 313
 4IG  A 885 (-3.9A)
4IG  A 885 (-3.5A)
None
None
None
None
 1.31A 4uckA-2g1sA:
undetectable		 4uckA-2g1sA:
21.71
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.
2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 GLY A 219
GLY A 213
GLY A 143
LEU A 217
ALA A 221
 None
 0.95A 4uckA-2gd2A:
undetectable		 4uckA-2gd2A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hyp HYPOTHETICAL PROTEIN
RV0805

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		5 THR A 134
GLY A 206
GLY A  62
GLY A  96
SER A  20
 None
 0.97A 4uckA-2hypA:
undetectable		 4uckA-2hypA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		5 THR A 500
GLY A 203
GLY A 480
LEU A 185
ALA A 187
 None
None
None
None
FAD  A 700 (-3.5A)
 0.91A 4uckA-2i0kA:
undetectable		 4uckA-2i0kA:
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.
2ik8 GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(I),
ALPHA-1 SUBUNIT

(Homo sapiens) 		PF00503
(G-alpha) 		6 GLY A  45
GLY A  42
GLY A 203
SER A  44
ALA A 326
THR A 327
 GDP  A 401 (-3.3A)
ALF  A 355 (-3.3A)
ALF  A 355 (-3.3A)
GDP  A 401 (-3.6A)
GDP  A 401 (-3.2A)
GDP  A 401 (-3.3A)
 1.40A 4uckA-2ik8A:
undetectable		 4uckA-2ik8A:
21.38
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		6 THR A 388
GLY A 372
GLY A 392
GLY A 391
ASN A 390
ALA A 374
 None
 1.31A 4uckA-2r66A:
2.1		 4uckA-2r66A:
22.31
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.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		5 THR E 259
GLY E 103
GLY E 105
GLY E 107
ALA E 162
 SAM  E1287 (-2.8A)
SAM  E1287 (-3.1A)
SAM  E1287 (-3.6A)
None
SAM  E1287 (-3.9A)
 0.77A 4uckA-2vdvE:
4.9		 4uckA-2vdvE:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 GLY A  82
GLY A  84
GLY A  86
LEU A 106
THR A 134
 SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-4.4A)
SAM  A1248 (-4.1A)
SAM  A1248 (-3.8A)
 0.65A 4uckA-2wa2A:
9.3		 4uckA-2wa2A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 GLY A  82
GLY A  86
TRP A  88
LEU A 106
THR A 134
 SAM  A1248 (-3.3A)
SAM  A1248 (-4.4A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.1A)
SAM  A1248 (-3.8A)
 0.93A 4uckA-2wa2A:
9.3		 4uckA-2wa2A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yys PROLINE
IMINOPEPTIDASE-RELAT
ED PROTEIN

(Thermus
thermophilus) 		PF12697
(Abhydrolase_6) 		6 GLY A  62
GLY A  64
GLY A  37
SER A  66
LEU A  67
ALA A  13
 None
 1.42A 4uckA-2yysA:
undetectable		 4uckA-2yysA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bb7 INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69) 		6 GLY A 153
GLY A 241
GLY A 237
ASN A 239
THR A 159
ALA A 154
 None
 1.46A 4uckA-3bb7A:
undetectable		 4uckA-3bb7A:
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A 485
GLU A 486
GLY A 466
ASN A 467
ALA A 484
 None
 0.97A 4uckA-3bmwA:
undetectable		 4uckA-3bmwA:
21.90
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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 GLY A 214
GLU A 400
GLY A 401
ALA A 372
THR A 371
 None
 0.66A 4uckA-3bs8A:
undetectable		 4uckA-3bs8A:
22.95
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 GLY A  69
GLY A  71
GLY A  73
SER A  91
ALA A 120
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
None
SAH  A 274 (-3.0A)
SAH  A 274 (-3.5A)
 0.86A 4uckA-3busA:
5.8		 4uckA-3busA:
21.65
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 THR A  54
GLY A  78
GLY A  82
ALA A 131
ALA A 155
 SAH  A 464 (-3.5A)
SAH  A 464 (-3.7A)
SAH  A 464 ( 4.6A)
SAH  A 464 (-3.5A)
SAH  A 464 (-3.7A)
 0.80A 4uckA-3c3yA:
8.2		 4uckA-3c3yA:
18.35
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.
3c7k GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(O) SUBUNIT
ALPHA

(Mus musculus) 		PF00503
(G-alpha) 		6 GLY A  45
GLY A  42
GLY A 204
SER A  44
ALA A 326
THR A 327
 GDP  A 361 (-2.8A)
ALF  A 365 (-3.0A)
ALF  A 365 (-3.2A)
GDP  A 361 (-4.0A)
GDP  A 361 (-3.4A)
GDP  A 361 (-3.4A)
 1.30A 4uckA-3c7kA:
undetectable		 4uckA-3c7kA:
22.54
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.
3ckk TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Homo sapiens) 		PF02390
(Methyltransf_4) 		5 THR A 208
GLY A  54
GLY A  56
GLY A  58
ALA A 111
 SAM  A 301 (-2.8A)
GOL  A 302 ( 3.3A)
SAM  A 301 (-3.5A)
None
SAM  A 301 (-3.7A)
 0.93A 4uckA-3ckkA:
5.4		 4uckA-3ckkA:
18.29
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.
3cx6 GUANINE
NUCLEOTIDE-BINDING
PROTEIN ALPHA-13
SUBUNIT

(Mus musculus) 		PF00503
(G-alpha) 		6 GLY A  60
GLY A  57
GLY A 225
SER A  59
ALA A 349
THR A 348
 GDP  A 775 (-3.2A)
GDP  A 775 ( 4.2A)
None
GDP  A 775 (-3.4A)
GDP  A 775 (-3.2A)
GDP  A 775 (-3.8A)
 1.43A 4uckA-3cx6A:
undetectable		 4uckA-3cx6A:
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.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 GLY A  94
GLU A 127
GLY A 128
SER A  93
ALA A  59
 FMN  A 149 (-2.9A)
None
None
FMN  A 149 (-3.8A)
FMN  A 149 (-3.7A)
 0.80A 4uckA-3f6rA:
undetectable		 4uckA-3f6rA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		6 GLY A 120
GLY A 157
SER A 119
LEU A 118
ALA A 288
ALA A 123
 PLP  A 460 (-3.2A)
None
PLP  A 460 (-3.6A)
None
LLP  A 289 ( 2.8A)
None
 1.34A 4uckA-3gjuA:
undetectable		 4uckA-3gjuA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gms PUTATIVE
NADPH:QUINONE
REDUCTASE

(Bacillus
thuringiensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 245
GLY A 221
ASN A 249
SER A 244
LEU A 243
 None
 0.96A 4uckA-3gmsA:
3.9		 4uckA-3gmsA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gu3 METHYLTRANSFERASE

(Bacillus cereus) 		PF13847
(Methyltransf_31) 		5 GLY A  47
GLY A  49
GLY A  51
ALA A  98
THR A  99
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.3A)
None
SAH  A 401 (-3.3A)
SAH  A 401 ( 4.0A)
 0.66A 4uckA-3gu3A:
7.1		 4uckA-3gu3A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY B 199
GLY B 220
SER B 198
ALA B 235
ALA B 161
 None
 0.80A 4uckA-3igzB:
3.9		 4uckA-3igzB:
22.78
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.
3ihs PHOSPHOCARRIER
PROTEIN HPR

(Bacillus
anthracis) 		PF00381
(PTS-HPr) 		5 GLY A  58
GLY A  56
GLY A  13
ASN A  12
SER A  59
 None
 0.86A 4uckA-3ihsA:
undetectable		 4uckA-3ihsA:
14.57
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.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 GLY A  14
GLY A 318
GLY A 322
ASN A 324
ALA A  10
ALA A 119
 None
 1.21A 4uckA-3iwaA:
undetectable		 4uckA-3iwaA:
23.15
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 GLY A 619
GLY A 617
GLY A 427
ALA A 215
ALA A 623
 None
 0.95A 4uckA-3j09A:
undetectable		 4uckA-3j09A:
20.24
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.
3kaq FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 GLY A  94
GLU A 127
GLY A 128
SER A  93
ALA A  59
 FMN  A 150 (-3.3A)
None
None
FMN  A 150 (-3.8A)
FMN  A 150 (-3.6A)
 0.84A 4uckA-3kaqA:
undetectable		 4uckA-3kaqA:
14.57
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.
3l9x GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFC,
LINKER, ANCILLARY
PROTEIN KEFF

(Escherichia
coli) 		PF02254
(TrkA_N)
PF02525
(Flavodoxin_2) 		6 THR A 414
GLY A 406
GLY A 408
ALA A 450
THR A 451
ALA A 405
 None
None
SO4  A1190 (-3.5A)
None
None
None
 1.37A 4uckA-3l9xA:
undetectable		 4uckA-3l9xA:
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 GLY A 367
GLY A 316
GLY A 289
LEU A 365
ALA A 369
 None
 0.95A 4uckA-3mduA:
undetectable		 4uckA-3mduA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 THR A 191
GLY A  32
GLY A  34
GLY A  36
ALA A  87
 SAH  A 216 (-2.7A)
SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
None
SAH  A 216 (-3.5A)
 0.64A 4uckA-3mq2A:
6.0		 4uckA-3mq2A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY A 198
GLY A 219
SER A 197
ALA A 234
ALA A 160
 None
 0.94A 4uckA-3nvlA:
3.8		 4uckA-3nvlA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		6 GLY A 161
GLU A 182
GLY A 167
GLY A 169
ASN A  96
SER A 186
 None
 1.25A 4uckA-3omnA:
undetectable		 4uckA-3omnA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 5 GLY N 385
GLY N 391
GLY N 394
LEU N 381
ALA N 384
 None
 0.91A 4uckA-3rkoN:
undetectable		 4uckA-3rkoN:
23.15
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.
3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE

(Caldanaerobacter
subterraneus) 		PF03069
(FmdA_AmdA) 		5 THR A 282
GLY A 153
GLY A 150
LEU A 180
THR A  34
 None
 0.91A 4uckA-3tkkA:
undetectable		 4uckA-3tkkA:
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		5 THR A  45
GLY A  69
GLY A  73
ALA A 122
ALA A 145
 SAH  A 224 (-3.6A)
SAH  A 224 (-3.9A)
None
SAH  A 224 (-3.8A)
SAH  A 224 (-3.5A)
 0.92A 4uckA-3tr6A:
7.8		 4uckA-3tr6A:
21.93
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.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		5 GLY A  65
GLU A 181
GLY A  63
GLY A  20
SER A  68
 None
SO4  A 236 ( 4.4A)
None
SO4  A 236 (-3.3A)
None
 0.93A 4uckA-3uavA:
undetectable		 4uckA-3uavA:
19.76
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		6 THR A 544
GLY A 718
GLY A 716
GLY A 657
THR A 697
ALA A 584
 None
 1.43A 4uckA-3wfaA:
undetectable		 4uckA-3wfaA:
20.41
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		6 THR A 300
GLY A 263
GLY A 294
ALA A 271
THR A 272
ALA A 247
 None
 1.44A 4uckA-3x43A:
undetectable		 4uckA-3x43A:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 5 GLY A 687
GLY A 682
GLY A 728
TRP A 726
ALA A 688
 None
 0.91A 4uckA-4btgA:
undetectable		 4uckA-4btgA:
19.71
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 THR A 427
GLY A 128
GLY A 420
TRP A 375
ALA A 173
ALA A 130
 None
 1.35A 4uckA-4c7vA:
undetectable		 4uckA-4c7vA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		5 THR A 390
GLY A 190
GLY A 188
SER A 225
ALA A 238
 None
None
MLI  A1466 (-4.0A)
None
None
 0.91A 4uckA-4cp8A:
undetectable		 4uckA-4cp8A:
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.
4dng UNCHARACTERIZED
ALDEHYDE
DEHYDROGENASE ALDY

(Bacillus
subtilis) 		PF00171
(Aldedh) 		5 GLY A  96
GLY A 327
ASN A 361
THR A 102
ALA A  91
 None
 0.93A 4uckA-4dngA:
2.4		 4uckA-4dngA:
21.17
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.
4dzr PROTEIN-(GLUTAMINE-N
5)
METHYLTRANSFERASE,
RELEASE
FACTOR-SPECIFIC

(Alicyclobacillus
acidocaldarius) 		PF05175
(MTS) 		5 GLY A 140
GLY A 102
SER A 139
ALA A 157
ALA A 143
 ACT  A 402 ( 4.0A)
GOL  A 403 (-3.8A)
None
ACT  A 402 ( 4.6A)
ACT  A 402 ( 4.5A)
 0.93A 4uckA-4dzrA:
5.8		 4uckA-4dzrA:
18.71
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.
4ekd GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(Q) SUBUNIT
ALPHA

(Mus musculus) 		PF00503
(G-alpha) 		6 GLY A  51
GLY A  48
GLY A 208
SER A  50
ALA A 331
THR A 332
 GDP  A 401 (-3.2A)
ALF  A 402 (-2.9A)
ALF  A 402 (-3.1A)
GDP  A 401 (-3.9A)
GDP  A 401 (-3.2A)
GDP  A 401 (-3.6A)
 1.41A 4uckA-4ekdA:
undetectable		 4uckA-4ekdA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gbf PHIKZ131

(Pseudomonas
virus phiKZ) 		no annotation 6 THR A 562
GLY A 727
GLY A 687
GLY A 619
ASN A 561
ALA A 413
 None
 1.46A 4uckA-4gbfA:
undetectable		 4uckA-4gbfA:
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 GLY A 812
GLY A 794
SER A 811
LEU A 810
ALA A 396
 None
FAD  A 901 (-3.2A)
None
None
None
 0.86A 4uckA-4hsuA:
undetectable		 4uckA-4hsuA:
17.75
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY B  52
GLY B  54
GLY B  56
LEU B  74
ALA B 102
 SAM  B 301 (-3.5A)
SAM  B 301 (-3.4A)
None
SAM  B 301 (-4.2A)
SAM  B 301 (-3.7A)
 0.58A 4uckA-4htfB:
8.5		 4uckA-4htfB:
25.12
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.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		5 GLY A 191
GLY A 194
GLY A 198
THR A 248
ALA A 274
 NDP  A 501 (-3.5A)
NDP  A 501 (-3.4A)
None
NDP  A 501 ( 4.5A)
NDP  A 501 (-3.8A)
 0.89A 4uckA-4hxyA:
undetectable		 4uckA-4hxyA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 GLY A 460
GLY A 256
GLY A 257
ASN A 258
LEU A 253
 None
 0.95A 4uckA-4i3uA:
2.9		 4uckA-4i3uA:
21.48
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.
4i59 CYCLOHEXYLAMINE
OXIDASE

(Microbacterium
oxydans) 		PF01593
(Amino_oxidase) 		5 GLY A 421
GLY A 201
GLY A 371
ASN A 373
ALA A 418
 None
 0.85A 4uckA-4i59A:
undetectable		 4uckA-4i59A:
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.
4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC

(Klebsiella
pneumoniae) 		PF05138
(PaaA_PaaC) 		5 GLY C 210
GLY C 148
GLY C 150
SER C 209
LEU C 206
 None
 0.87A 4uckA-4iitC:
undetectable		 4uckA-4iitC:
22.43
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 GLY A 232
GLY A 234
GLY A 236
LEU A 255
ALA A 282
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-4.3A)
SAH  A 501 (-3.6A)
 0.84A 4uckA-4ineA:
6.8		 4uckA-4ineA:
23.46
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.
4k9q BENZOYLFORMATE
DECARBOXYLASE

(Polynucleobacter
necessarius) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 447
GLY A  56
GLY A 413
THR A  84
ALA A 406
 None
 0.92A 4uckA-4k9qA:
undetectable		 4uckA-4k9qA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		6 GLY A 228
GLY A 230
GLY A 232
ASN A 198
LEU A 251
ALA A 278
 SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
None
SAH  A 701 (-4.4A)
SAH  A 701 (-3.7A)
 1.48A 4uckA-4kriA:
7.0		 4uckA-4kriA:
22.78
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.
4ks9 MALONYL-COA
DECARBOXYLASE

(Cupriavidus
metallidurans) 		PF05292
(MCD)
PF17408
(MCD_N) 		5 GLY A 400
GLY A 403
GLY A 461
ASN A 462
ALA A 406
 None
 0.92A 4uckA-4ks9A:
undetectable		 4uckA-4ks9A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7w PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Leptotrichia
buccalis) 		PF01048
(PNP_UDP_1) 		5 GLY A  66
GLU A 182
GLY A  64
GLY A  21
SER A  69
 None
PO4  A 400 ( 4.4A)
None
PO4  A 400 (-3.2A)
None
 0.95A 4uckA-4m7wA:
undetectable		 4uckA-4m7wA:
20.15
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.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		5 GLY A  47
GLY A  49
GLY A  51
LEU A  69
ALA A  95
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.2A)
 0.61A 4uckA-4necA:
6.9		 4uckA-4necA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		6 GLY A  67
GLU A 195
GLY A  65
GLY A  23
SER A  70
ALA A 116
 None
GOL  A 303 (-2.9A)
None
SO4  A 302 (-3.2A)
None
None
 1.26A 4uckA-4r2wA:
undetectable		 4uckA-4r2wA:
20.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 7 GLY A1696
GLU A1697
GLY A1698
GLY A1700
LEU A1720
THR A1757
ALA A1780
 None
 0.95A 4uckA-4uclA:
57.5		 4uckA-4uclA:
99.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 7 GLY A1696
GLU A1697
GLY A1698
GLY A1700
SER A1719
LEU A1720
THR A1757
 None
 1.14A 4uckA-4uclA:
57.5		 4uckA-4uclA:
99.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 10 THR A1670
GLY A1696
GLY A1698
GLY A1700
ASN A1701
TRP A1702
LEU A1720
ALA A1756
THR A1757
ALA A1780
 None
 0.53A 4uckA-4uclA:
57.5		 4uckA-4uclA:
99.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 10 THR A1670
GLY A1696
GLY A1698
GLY A1700
ASN A1701
TRP A1702
SER A1719
LEU A1720
ALA A1756
THR A1757
 None
 0.79A 4uckA-4uclA:
57.5		 4uckA-4uclA:
99.76
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 GLY A 175
GLY A 173
GLY A 223
SER A 176
ALA A 149
 None
 0.93A 4uckA-4um8A:
undetectable		 4uckA-4um8A:
21.62
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.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP) 		5 GLY A 184
GLY A 182
GLY A 232
SER A 185
ALA A 158
 None
 0.95A 4uckA-4wk4A:
undetectable		 4uckA-4wk4A:
19.70
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		6 THR A 670
GLY A 120
GLY A 668
ASN A 669
SER A 117
THR A  87
 None
None
None
BOG  A 905 (-4.1A)
None
None
 1.29A 4uckA-4zgvA:
undetectable		 4uckA-4zgvA:
18.39
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
GLY A  48
LEU A  67
ALA A  95
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.8A)
SAH  A 301 (-3.6A)
 0.94A 4uckA-5epeA:
4.0		 4uckA-5epeA:
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.
5fcr COMPLEMENT FACTOR D

(Mus musculus) 		PF00089
(Trypsin) 		5 GLY A  43
GLY A 140
GLY A 142
SER A 197
ALA A  31
 None
 0.92A 4uckA-5fcrA:
undetectable		 4uckA-5fcrA:
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.
5hjp OXYSTEROLS RECEPTOR
LXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 GLU B 455
GLY B 464
GLY B 466
SER B 454
LEU B 449
THR B 272
 None
None
None
None
668  B 501 (-4.9A)
668  B 501 (-4.5A)
 1.42A 4uckA-5hjpB:
undetectable		 4uckA-5hjpB:
19.68
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 THR A  77
GLY A 101
GLY A 105
ALA A 154
ALA A 178
 SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
 0.90A 4uckA-5kvaA:
8.3		 4uckA-5kvaA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 818
GLY A 800
SER A 817
LEU A 816
ALA A 292
 None
FAD  A 901 (-3.2A)
None
None
None
 0.95A 4uckA-5l3dA:
undetectable		 4uckA-5l3dA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 GLY A  69
GLU A 197
GLY A  67
GLY A  25
SER A  72
ALA A 118
 None
URI  A 303 (-2.7A)
NA  A 307 ( 4.0A)
SO4  A 301 (-3.3A)
NA  A 307 (-2.9A)
None
 1.27A 4uckA-5lhvA:
undetectable		 4uckA-5lhvA:
19.71
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.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		5 GLY A  67
GLY A  71
LEU A  92
ALA A 120
ALA A 143
 SAH  A1001 (-3.5A)
None
SAH  A1001 (-4.1A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.7A)
 0.73A 4uckA-5logA:
7.7		 4uckA-5logA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		6 GLY B 353
GLY B 351
GLY B 311
SER B 354
THR B 387
ALA B 372
 None
None
AMP  B 801 (-3.5A)
None
None
None
 1.40A 4uckA-5m45B:
undetectable		 4uckA-5m45B:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5min QUINOPROTEIN GLUCOSE
DEHYDROGENASE B

(Acinetobacter
calcoaceticus) 		no annotation 5 GLY A  81
GLY A  98
GLY A  78
ASN A  77
ALA A  83
 None
 0.88A 4uckA-5minA:
undetectable		 4uckA-5minA:
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		5 GLY A 204
GLY A 206
LEU A  67
ALA A  69
ALA A  65
 None
 0.91A 4uckA-5mq6A:
undetectable		 4uckA-5mq6A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 5 GLY A 347
GLY A 319
ASN A 318
ALA A 447
ALA A 408
 None
 0.95A 4uckA-5ny0A:
undetectable		 4uckA-5ny0A:
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.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 GLY A   9
GLY A  11
LEU A  34
ALA A  62
THR A  63
 None
 0.69A 4uckA-5o3zA:
5.5		 4uckA-5o3zA:
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.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 GLY A   9
LEU A  34
ALA A  62
THR A  63
ALA A  89
 None
 0.92A 4uckA-5o3zA:
5.5		 4uckA-5o3zA:
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.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 GLY A  10
LEU A  34
ALA A  62
THR A  63
ALA A  89
 None
 0.89A 4uckA-5o3zA:
5.5		 4uckA-5o3zA:
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		5 GLU A 375
GLY A 388
TRP A 235
ALA A 379
THR A 381
 None
None
None
None
NAG  A1405 ( 3.7A)
 0.97A 4uckA-5szsA:
undetectable		 4uckA-5szsA:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v6c HEMOLYSIN-RELATED
PROTEIN

(Vibrio cholerae) 		no annotation 5 THR A 831
GLY A 827
GLY A 952
SER A 891
ALA A 922
 None
 0.93A 4uckA-5v6cA:
undetectable		 4uckA-5v6cA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A 290
GLY A 292
GLY A 294
LEU A 313
THR A 340
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
None
SAH  A 703 (-4.1A)
SAH  A 703 ( 4.3A)
 0.83A 4uckA-5wp4A:
7.1		 4uckA-5wp4A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLY A 290
GLY A 292
GLY A 294
LEU A 313
THR A 340
 SAH  A 501 (-3.8A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-3.9A)
SAH  A 501 ( 4.5A)
 0.80A 4uckA-5wp5A:
7.2		 4uckA-5wp5A:
21.12
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.
5wuf PUTATIVE MEMBRANE
PROTEIN

(Colwellia
psychrerythraea) 		PF03458
(UPF0126) 		5 GLY A  20
GLY A 132
SER A  19
LEU A  18
ALA A  38
 None
 0.88A 4uckA-5wufA:
undetectable		 4uckA-5wufA:
21.38
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 GLY A  66
GLY A  68
GLY A  70
ALA A 120
ALA A 139
 SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
SAM  A 301 ( 4.5A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
 0.61A 4uckA-5x7fA:
7.7		 4uckA-5x7fA:
18.31