SIMILAR PATTERNS OF AMINO ACIDS FOR 4UCK_B_SAMB2409

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.
1dqp GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Giardia
intestinalis) 		PF00156
(Pribosyltran) 		5 GLY A 185
GLY A 194
ASP A 125
ALA A  45
THR A  48
 None
 1.09A 4uckB-1dqpA:
2.5		 4uckB-1dqpA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 GLY A 482
TRP A 570
SER A 485
LEU A 461
ALA A 408
 None
 0.99A 4uckB-1kwgA:
undetectable		 4uckB-1kwgA:
19.09
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 GLY A 143
ASN A 144
ASP A  54
ALA A 132
THR A 135
 None
 1.15A 4uckB-1ne2A:
7.0		 4uckB-1ne2A:
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.
1pgv TROPOMODULIN TMD-1

(Caenorhabditis
elegans) 		no annotation 5 GLY A 337
ASN A 338
LEU A 305
ASP A 279
ALA A 328
 None
 1.04A 4uckB-1pgvA:
undetectable		 4uckB-1pgvA:
18.70
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.
1r5j PUTATIVE
PHOSPHOTRANSACETYLAS
E

(Streptococcus
pyogenes) 		PF01515
(PTA_PTB) 		5 GLY A 298
LEU A 182
ALA A 228
THR A 225
ALA A 186
 None
 1.14A 4uckB-1r5jA:
undetectable		 4uckB-1r5jA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 THR A 469
GLY A 428
GLY A 471
ASN A 470
ALA A 295
 None
 1.09A 4uckB-1ud3A:
undetectable		 4uckB-1ud3A:
20.48
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.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		5 THR A 158
GLY A 228
GLY A 230
THR A  54
ALA A  80
 None
 1.11A 4uckB-1ym5A:
undetectable		 4uckB-1ym5A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zxx 6-PHOSPHOFRUCTOKINAS
E

(Lactobacillus
delbrueckii) 		PF00365
(PFK) 		5 THR A   8
GLY A  11
GLY A  10
ALA A 142
THR A 145
 None
 1.15A 4uckB-1zxxA:
undetectable		 4uckB-1zxxA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 THR A  51
GLY A 204
ASP A 774
ALA A 781
THR A 782
 FMT  A1798 ( 4.6A)
FMT  A1798 (-3.7A)
None
None
None
 1.12A 4uckB-2c4mA:
undetectable		 4uckB-2c4mA:
19.58
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.
2di8 FILAMIN-B

(Homo sapiens) 		PF00630
(Filamin) 		5 GLY A  40
GLY A   7
ASP A  35
THR A  82
ALA A  11
 None
 1.13A 4uckB-2di8A:
undetectable		 4uckB-2di8A:
14.53
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		5 GLY A  50
GLY A 136
ASN A  53
ALA A 347
THR A 348
 DBO  A1001 (-3.7A)
None
None
None
None
 1.13A 4uckB-2ewyA:
undetectable		 4uckB-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.
2gep SULFITE REDUCTASE
HEMOPROTEIN

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY A 484
GLY A 482
ASN A 481
ALA A 394
THR A 393
 None
SF4  A 575 (-4.2A)
SRM  A 580 ( 3.5A)
None
None
 1.01A 4uckB-2gepA:
undetectable		 4uckB-2gepA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ii1 ACETAMIDASE

(Bacillus
halodurans) 		PF03069
(FmdA_AmdA) 		5 THR A 281
GLY A 152
GLY A 149
LEU A 179
THR A  33
 None
 1.04A 4uckB-2ii1A:
undetectable		 4uckB-2ii1A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 774
GLY A 776
SER A 772
LEU A 771
THR A 768
 None
None
ACT  A1983 (-4.7A)
None
MES  A1977 (-4.9A)
 1.04A 4uckB-2ivfA:
undetectable		 4uckB-2ivfA:
16.68
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.
2iz7 MOCO CARRIER PROTEIN

(Chlamydomonas
reinhardtii) 		no annotation 5 THR A  64
GLY A  44
GLY A  66
LEU A  47
THR A  18
 None
 1.15A 4uckB-2iz7A:
undetectable		 4uckB-2iz7A:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF01380
(SIS)
PF13522
(GATase_6) 		5 THR A 124
GLY A 157
SER A 176
ALA A 353
THR A 352
 ONL  A1609 (-4.3A)
None
None
None
G6Q  A1610 (-3.1A)
 1.16A 4uckB-2j6hA:
undetectable		 4uckB-2j6hA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A  34
TRP A  36
LEU A  63
THR A  81
LYS A 144
 SAM  A 201 (-3.7A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 ( 4.1A)
SAM  A 201 (-3.5A)
 1.01A 4uckB-2nyuA:
9.1		 4uckB-2nyuA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		5 GLY A 155
GLY A 153
ASN A 181
ASP A 368
ALA A 193
 TDP  A1001 (-3.6A)
TDP  A1001 (-3.2A)
None
None
None
 1.14A 4uckB-2o1xA:
undetectable		 4uckB-2o1xA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		5 THR A   8
GLY A  11
GLY A  10
ALA A 142
THR A 145
 None
 1.14A 4uckB-2pfkA:
undetectable		 4uckB-2pfkA:
24.22
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.
2uxt PROTEIN SUFI

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 206
GLY A 205
SER A 239
ASP A 188
ALA A 274
 None
 1.13A 4uckB-2uxtA:
undetectable		 4uckB-2uxtA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 GLY A  84
GLY A  86
LEU A 106
THR A 134
LYS A 184
 SAM  A1248 (-3.4A)
SAM  A1248 (-4.4A)
SAM  A1248 (-4.1A)
SAM  A1248 (-3.8A)
None
 0.96A 4uckB-2wa2A:
9.7		 4uckB-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.
2xt0 HALOALKANE
DEHALOGENASE

(Plesiocystis
pacifica) 		PF00561
(Abhydrolase_1) 		5 GLY A 157
GLY A 159
SER A 155
LEU A 154
ALA A 151
 None
 1.06A 4uckB-2xt0A:
undetectable		 4uckB-2xt0A:
20.85
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.
3dh9 THIOREDOXIN
REDUCTASE 1

(Drosophila
melanogaster) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 208
GLY A 210
SER A  72
LEU A  73
ALA A  77
 None
 1.13A 4uckB-3dh9A:
undetectable		 4uckB-3dh9A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		6 GLY A  79
GLY A  11
SER A  78
LEU A 239
ASP A 174
ALA A 245
 None
 1.47A 4uckB-3hz6A:
undetectable		 4uckB-3hz6A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN

(Klebsiella
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 THR A 228
GLY A 373
ASP A 151
ALA A 206
ALA A 377
 None
None
NA  A 501 (-2.0A)
None
None
 1.07A 4uckB-3io1A:
undetectable		 4uckB-3io1A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ld3 INORGANIC
PYROPHOSPHATASE

(Anaplasma
phagocytophilum) 		PF00719
(Pyrophosphatase) 		5 THR A  62
GLY A   9
GLY A   7
ASN A  61
ALA A 111
 None
 1.14A 4uckB-3ld3A:
undetectable		 4uckB-3ld3A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg9 TEG12

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		5 GLY A 140
GLY A 127
ASN A 123
ASP A  71
ALA A   8
 None
 1.02A 4uckB-3mg9A:
undetectable		 4uckB-3mg9A:
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.
3mgb TEG12

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		5 GLY A 140
GLY A 127
ASN A 123
ASP A  71
ALA A   8
 None
 0.97A 4uckB-3mgbA:
undetectable		 4uckB-3mgbA:
22.76
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2
ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacterium
smegmatis;
Mycolicibacterium
smegmatis) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 GLY A  28
GLY B 131
ASP B  41
ALA B  45
THR B  48
 None
 1.11A 4uckB-3mmlA:
undetectable		 4uckB-3mmlA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		5 GLY A 288
ASP A 277
ALA A 253
THR A 215
ALA A 262
 None
 1.11A 4uckB-3mtwA:
undetectable		 4uckB-3mtwA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 GLY A  54
ASN A  56
ASP A 308
ALA A 290
THR A 289
 None
 1.14A 4uckB-3pl2A:
undetectable		 4uckB-3pl2A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 THR A 485
GLY A 461
ALA A 188
THR A 185
ALA A 446
 None
 1.09A 4uckB-3rimA:
3.0		 4uckB-3rimA:
20.45
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.
3s2g ZINC-CONTAINING
ALCOHOL
DEHYDROGENASE
SUPERFAMILY

(Cupriavidus
pinatubonensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 156
GLY A 265
ASN A 264
LEU A  46
ALA A  48
 None
 1.02A 4uckB-3s2gA:
3.4		 4uckB-3s2gA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s2g ZINC-CONTAINING
ALCOHOL
DEHYDROGENASE
SUPERFAMILY

(Cupriavidus
pinatubonensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 311
GLY A 181
GLY A 179
ALA A 216
ALA A 208
 None
None
SO4  A 701 (-3.0A)
None
None
 1.11A 4uckB-3s2gA:
3.4		 4uckB-3s2gA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.92A 4uckB-3tkkA:
undetectable		 4uckB-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.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 THR A 341
GLY A  13
GLY A  12
TRP A  10
THR A  80
 None
 1.01A 4uckB-3ttsA:
undetectable		 4uckB-3ttsA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3txv PROBABLE TAGATOSE
6-PHOSPHATE KINASE

(Sinorhizobium
meliloti) 		PF08013
(Tagatose_6_P_K) 		5 GLY A 289
GLY A 291
ASP A  94
THR A  64
ALA A  29
 None
 1.15A 4uckB-3txvA:
undetectable		 4uckB-3txvA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 GLY A 507
ASN A 510
TRP A 543
LEU A 439
ALA A 575
 None
 1.06A 4uckB-3ummA:
undetectable		 4uckB-3ummA:
14.78
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 311
GLY A 337
ASP A 238
ALA A 271
ALA A 285
 None
None
MG  A 501 ( 4.6A)
None
None
 1.16A 4uckB-3vcnA:
undetectable		 4uckB-3vcnA:
20.82
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		5 THR A 582
GLY A 555
GLY A 554
ASN A 553
ALA A 576
 None
 1.06A 4uckB-3wqyA:
undetectable		 4uckB-3wqyA:
17.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 GLY A  91
ASN A 260
ALA A  35
THR A  34
ALA A  86
 None
 1.02A 4uckB-3x0yA:
undetectable		 4uckB-3x0yA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4uckB-3x43A:
undetectable		 4uckB-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.
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 4uckB-4cp8A:
undetectable		 4uckB-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.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		5 GLY A 163
LEU A 172
ALA A 175
THR A 198
ALA A 184
 None
 1.08A 4uckB-4eb0A:
undetectable		 4uckB-4eb0A:
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.
4emk U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM6

(Schizosaccharomyces
pombe) 		PF01423
(LSM) 		5 GLY B  64
ASN B  65
LEU B  18
ASP B  26
ALA B  72
 None
 1.08A 4uckB-4emkB:
undetectable		 4uckB-4emkB:
11.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g38 SULFITE REDUCTASE
[NADPH] HEMOPROTEIN
BETA-COMPONENT

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY A 484
GLY A 482
ASN A 481
ALA A 394
THR A 393
 None
SF4  A 603 ( 4.3A)
SRM  A 604 ( 3.4A)
None
None
 1.04A 4uckB-4g38A:
undetectable		 4uckB-4g38A:
20.48
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.
4h2k SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Haemophilus
influenzae) 		PF01546
(Peptidase_M20) 		5 THR A 236
GLY A  97
GLY A  95
LEU A 105
ALA A 107
 None
 1.08A 4uckB-4h2kA:
undetectable		 4uckB-4h2kA:
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.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		5 GLY A 192
GLY A 194
LEU A 214
ALA A 240
THR A 239
 None
NDP  A 501 (-3.4A)
None
None
None
 0.97A 4uckB-4hxyA:
3.5		 4uckB-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.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		5 THR A   8
GLY A  11
GLY A  10
ALA A 142
THR A 145
 None
 1.16A 4uckB-4i4iA:
undetectable		 4uckB-4i4iA:
21.81
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.
4izo PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Burkholderia
thailandensis) 		PF02222
(ATP-grasp) 		5 GLY A 224
SER A 228
LEU A 229
ALA A 390
THR A 387
 None
 1.05A 4uckB-4izoA:
3.0		 4uckB-4izoA:
20.22
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.
4jcc IRON-COMPOUND ABC
TRANSPORTER,
IRON-COMPOUND-BINDIN
G PROTEIN

(Streptococcus
pneumoniae) 		PF01497
(Peripla_BP_2) 		5 THR A 154
GLY A  66
ASN A 157
SER A 302
THR A 295
 None
 1.05A 4uckB-4jccA:
undetectable		 4uckB-4jccA:
23.00
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 GLY A 102
GLY A 104
LEU A  23
ASP A  33
ALA A  90
 None
None
BGC  A 605 (-4.6A)
CA  A 606 ( 3.4A)
None
 1.10A 4uckB-4jsoA:
undetectable		 4uckB-4jsoA:
20.58
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.
4lb0 UNCHARACTERIZED
PROTEIN

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		5 GLY A 256
GLY A  94
ASN A  96
ALA A 264
THR A 265
 ACT  A 401 (-3.6A)
ACT  A 401 (-3.6A)
None
None
None
 1.15A 4uckB-4lb0A:
undetectable		 4uckB-4lb0A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mkm PUTATIVE SURFACE
ANCHORED PROTEIN

(Clostridium
perfringens) 		no annotation 5 GLY A 236
ASN A 235
LEU A 240
ASP A 190
THR A 225
 None
 1.16A 4uckB-4mkmA:
undetectable		 4uckB-4mkmA:
23.81
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A 279
GLY A 281
LEU A 302
THR A 337
LYS A 404
 SAM  A 601 (-3.5A)
SAM  A 601 (-3.6A)
SAM  A 601 (-4.1A)
SAM  A 601 ( 3.9A)
SAM  A 601 ( 4.1A)
 0.79A 4uckB-4n49A:
12.2		 4uckB-4n49A:
21.63
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.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 GLY A 279
ASN A 432
LEU A 317
ALA A 315
ALA A 515
 None
 1.00A 4uckB-4pfwA:
undetectable		 4uckB-4pfwA:
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.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 THR A 547
GLY A 540
SER A  33
LEU A  34
ALA A 542
 None
None
None
None
BMA  A 605 ( 4.4A)
 1.11A 4uckB-4pfwA:
undetectable		 4uckB-4pfwA:
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.
4ppm AMINOTRANSFERASE

(Serratia sp.
FS14) 		PF00202
(Aminotran_3) 		5 GLY A 443
GLY A 441
SER A 646
LEU A 622
ALA A 694
 None
 1.03A 4uckB-4ppmA:
undetectable		 4uckB-4ppmA:
18.13
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.
4qdi UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Acinetobacter
baumannii) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 121
GLY A 174
ASP A 235
ALA A 299
THR A 298
 None
 0.98A 4uckB-4qdiA:
undetectable		 4uckB-4qdiA:
22.48
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.
4rfu COAT PROTEIN

(Redspotted
grouper nervous
necrosis virus) 		PF11729
(Capsid-VNN) 		5 GLY A  57
SER A  55
ASP A 104
ALA A 100
THR A  22
 None
 1.04A 4uckB-4rfuA:
undetectable		 4uckB-4rfuA:
17.08
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 GLY A 516
GLY A 517
SER A 510
ALA A 507
ALA A 499
 None
None
None
CLA  A1133 ( 4.6A)
CLA  A1133 ( 3.7A)
 1.10A 4uckB-4rkuA:
undetectable		 4uckB-4rkuA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rzp ENGINEERED PROTEIN
OR366

(synthetic
construct) 		PF00514
(Arm)
PF13646
(HEAT_2) 		5 GLY A 158
ASN A 159
LEU A 194
ALA A 235
ALA A 198
 None
 1.12A 4uckB-4rzpA:
undetectable		 4uckB-4rzpA:
20.71
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 A1698
GLY A1700
ASN A1701
TRP A1702
LEU A1720
ALA A1756
THR A1757
ALA A1780
LYS A1817
 None
 0.55A 4uckB-4uclA:
58.7		 4uckB-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 A1698
GLY A1700
ASN A1701
TRP A1702
SER A1719
LEU A1720
ALA A1756
THR A1757
LYS A1817
 None
 0.79A 4uckB-4uclA:
58.7		 4uckB-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 A1700
ASN A1701
TRP A1702
LEU A1720
ASP A1722
ALA A1756
THR A1757
ALA A1780
LYS A1817
 None
 0.65A 4uckB-4uclA:
58.7		 4uckB-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 A1700
ASN A1701
TRP A1702
SER A1719
LEU A1720
ASP A1722
ALA A1756
THR A1757
LYS A1817
 None
 0.85A 4uckB-4uclA:
58.7		 4uckB-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.
4wv3 ANTHRANILATE-COA
LIGASE

(Stigmatella
aurantiaca) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 223
GLY A 225
LEU A 215
ALA A 266
THR A 268
 None
 0.98A 4uckB-4wv3A:
2.6		 4uckB-4wv3A:
23.24
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.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		5 GLY A  42
ASN A  38
ALA A  71
THR A  72
ALA A  67
 None
 1.12A 4uckB-4xgnA:
4.2		 4uckB-4xgnA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xyi KINETOCHORE PROTEIN
MIS16

(Schizosaccharomyces
japonicus) 		PF00400
(WD40)
PF12265
(CAF1C_H4-bd) 		5 GLY A 184
GLY A 182
ASN A 132
THR A 262
ALA A 196
 None
 1.11A 4uckB-4xyiA:
undetectable		 4uckB-4xyiA:
23.57
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.
4z6k ALCOHOL
DEHYDROGENASE

(Moraxella sp.
TAE123) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 152
GLY A 261
ASN A 260
LEU A  42
ALA A  44
 None
 1.02A 4uckB-4z6kA:
undetectable		 4uckB-4z6kA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.30A 4uckB-4zgvA:
undetectable		 4uckB-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.
4zv9 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF01738
(DLH) 		5 GLY A 210
ASN A 237
TRP A 240
ALA A 196
ALA A 213
 CME  A 186 ( 3.4A)
None
None
None
None
 1.12A 4uckB-4zv9A:
undetectable		 4uckB-4zv9A:
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.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp)
PF01740
(STAS) 		5 THR A 253
GLY A 296
SER A 301
LEU A 300
ALA A  65
 DMU  A 602 ( 4.9A)
None
None
None
None
 1.13A 4uckB-5da0A:
undetectable		 4uckB-5da0A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 514
ASN A 516
SER A 574
THR A 634
ALA A 535
 None
None
None
NA  A 903 (-2.8A)
None
 0.95A 4uckB-5dmyA:
undetectable		 4uckB-5dmyA:
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.
5doo PROTEIN LYSINE
METHYLTRANSFERASE 2

(Rickettsia
typhi) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		5 GLY A  32
GLY A  36
ASN A 304
LEU A  28
ALA A 146
 None
 1.06A 4uckB-5dooA:
7.7		 4uckB-5dooA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		5 GLY A 153
GLY A 150
SER A 156
ALA A  72
THR A  73
 None
 1.07A 4uckB-5e2hA:
undetectable		 4uckB-5e2hA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLY A  88
GLY A  86
LEU A 251
THR A 396
LYS A 383
 GLY  A  88 ( 0.0A)
GLY  A  86 ( 0.0A)
LEU  A 251 ( 0.6A)
THR  A 396 ( 0.8A)
LYS  A 383 ( 0.0A)
 1.09A 4uckB-5ep8A:
undetectable		 4uckB-5ep8A:
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.
5f7r LMO0178 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 THR E 214
GLY E 204
GLY E 206
ALA E 104
THR E 100
 None
 1.12A 4uckB-5f7rE:
undetectable		 4uckB-5f7rE:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 5 THR A 432
GLY A  48
GLY A  50
TRP A 413
THR A 497
 None
 1.06A 4uckB-5fkrA:
undetectable		 4uckB-5fkrA:
20.68
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.
5gly GLYCOSIDE HYDROLASE
FAMILY 45 PROTEIN

(Thielavia
terrestris) 		PF02015
(Glyco_hydro_45) 		5 GLY A 129
GLY A 149
ALA A  75
THR A 110
ALA A 124
 CTR  A 302 (-3.5A)
CTR  A 302 (-3.7A)
CTT  A 301 (-3.5A)
None
None
 1.15A 4uckB-5glyA:
undetectable		 4uckB-5glyA:
17.66
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.
5gru DIABODY PROTEIN
DIABODY PROTEIN

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 THR H 219
GLY H 176
LEU L 111
ALA L  92
THR L  91
 THR  H 219 ( 0.8A)
GLY  H 176 ( 0.0A)
LEU  L 111 ( 0.6A)
ALA  L  92 ( 0.0A)
THR  L  91 ( 0.8A)
 1.03A 4uckB-5gruH:
undetectable		 4uckB-5gruH:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iof SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp) 		5 THR A 253
GLY A 296
SER A 301
LEU A 300
ALA A  65
 None
 1.13A 4uckB-5iofA:
undetectable		 4uckB-5iofA:
21.32
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		5 GLY A 165
GLY A 193
LEU A 132
ASP A 104
ALA A 175
 None
 1.16A 4uckB-5jseA:
undetectable		 4uckB-5jseA:
19.03
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 GLY C 236
GLY C 286
LEU C 239
ASP C  13
ALA C 211
 None
None
None
MN  C2002 (-2.4A)
None
 1.15A 4uckB-5ks8C:
undetectable		 4uckB-5ks8C:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		5 THR N 419
GLY N 451
GLY N 449
LEU N 490
THR N 727
 None
 1.11A 4uckB-5mpdN:
undetectable		 4uckB-5mpdN:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.93A 4uckB-5mq6A:
undetectable		 4uckB-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.
5nof ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 GLY A  74
GLY A  76
ASN A 188
ASP A  71
ALA A  88
 None
ZN  A 502 ( 4.8A)
None
None
None
 1.13A 4uckB-5nofA:
undetectable		 4uckB-5nofA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4uckB-5ny0A:
undetectable		 4uckB-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  10
LEU A  34
ALA A  62
THR A  63
ALA A  89
 None
 0.87A 4uckB-5o3zA:
undetectable		 4uckB-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.
5uxn PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A  66
GLY A 107
LEU A 427
ALA A 429
LYS A  80
 None
 1.11A 4uckB-5uxnA:
undetectable		 4uckB-5uxnA:
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.
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 4uckB-5v6cA:
undetectable		 4uckB-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.
5x6a ENDOGLUCANASE,
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 5 THR A  80
GLY A  16
GLY A   6
TRP A  79
ALA A  60
 None
 1.00A 4uckB-5x6aA:
undetectable		 4uckB-5x6aA:
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 GLY A1170
GLY A1162
ASN A1163
THR A1243
ALA A1172
 None
None
EDO  A1804 ( 4.9A)
None
None
 1.15A 4uckB-5x7sA:
undetectable		 4uckB-5x7sA:
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.
5xjh POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 GLY A 158
SER A 166
LEU A 167
ALA A 170
ALA A 179
 None
 1.10A 4uckB-5xjhA:
undetectable		 4uckB-5xjhA:
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 GLY A 243
GLY A 276
ASN A 275
ALA A 196
ALA A 186
 None
 1.07A 4uckB-5z9sA:
undetectable		 4uckB-5z9sA:
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.
6ane POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 GLY A 131
SER A 139
LEU A 140
ALA A 143
ALA A 152
 None
 1.10A 4uckB-6aneA:
undetectable		 4uckB-6aneA:
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.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 5 GLY A1549
LEU A1309
ASP A1308
THR A1196
ALA A1313
 None
 1.13A 4uckB-6b3rA:
undetectable		 4uckB-6b3rA:
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 5 GLY A  18
GLY A  13
LEU A  24
ALA A  26
ALA A 131
 None
FAD  A 601 (-2.8A)
None
None
None
 1.07A 4uckB-6em0A:
undetectable		 4uckB-6em0A:
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 5 GLY A 167
GLY A  29
ASN A  32
LEU A 105
THR A 139
 NA  A 609 (-3.8A)
None
None
HEM  A 604 ( 4.9A)
None
 1.08A 4uckB-6ercA:
undetectable		 4uckB-6ercA:
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.
6gbh HOPQ

(Helicobacter
pylori) 		no annotation 5 GLY C 136
ASN C 117
LEU C 150
ALA C 156
THR C 157
 None
 1.10A 4uckB-6gbhC:
undetectable		 4uckB-6gbhC:
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.
1dow ALPHA-CATENIN

(Mus musculus) 		PF01044
(Vinculin) 		4 SER A 117
GLY A 109
GLU A 110
ASP A 113
 None
 0.81A 4uckB-1dowA:
undetectable		 4uckB-1dowA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ea9 CYCLOMALTODEXTRINASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 SER C 419
GLY C 353
GLU C 354
ASP C 369
 None
 1.02A 4uckB-1ea9C:
undetectable		 4uckB-1ea9C:
22.22
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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 SER A 334
GLY A 255
GLU A 254
ASP A 258
 None
 1.06A 4uckB-1ethA:
undetectable		 4uckB-1ethA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gu3 ENDOGLUCANASE C

(Cellulomonas
fimi) 		PF02018
(CBM_4_9) 		4 GLY A  12
GLU A  14
ASP A  26
ASP A  11
 None
 0.85A 4uckB-1gu3A:
undetectable		 4uckB-1gu3A:
17.04
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 SER A2710
GLY A2766
ASP A2761
ASP A2768
 None
 0.93A 4uckB-1js8A:
undetectable		 4uckB-1js8A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SAH  A 887 ( 2.8A)
SAH  A 887 (-3.6A)
SAH  A 887 ( 3.3A)
SAH  A 887 (-3.9A)
 0.66A 4uckB-1r6aA:
9.2		 4uckB-1r6aA:
18.94
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.
1szs 4-AMINOBUTYRATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		4 GLY A 384
ASP A  37
ASP A  45
ASP A 382
 None
None
EDO  A1223 (-2.8A)
None
 0.98A 4uckB-1szsA:
2.5		 4uckB-1szsA:
21.75
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.
1vft ALANINE RACEMASE

(Streptomyces
lavendulae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 GLY A 340
GLU A 346
ASP A 351
ASP A 341
 None
 1.05A 4uckB-1vftA:
undetectable		 4uckB-1vftA:
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.
1xdi RV3303C-LPDA

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A 155
GLY A  41
ASP A  47
ASP A  37
 None
FAD  A 999 (-3.1A)
FAD  A 999 (-3.8A)
FAD  A 999 (-3.5A)
 1.03A 4uckB-1xdiA:
2.4		 4uckB-1xdiA:
21.76
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.
1xng NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Helicobacter
pylori) 		PF02540
(NAD_synthase) 		4 GLY A  34
ASP A 185
ASP A  37
ASP A  70
 None
None
ATP  A 303 (-3.9A)
None
 0.85A 4uckB-1xngA:
undetectable		 4uckB-1xngA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 GLY A 264
GLU A  42
ASP A  20
ASP A  28
 K  A 413 ( 4.5A)
K  A 413 (-2.9A)
None
None
 0.96A 4uckB-1xrcA:
undetectable		 4uckB-1xrcA:
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.
1yzf LIPASE/ACYLHYDROLASE

(Enterococcus
faecalis) 		PF13472
(Lipase_GDSL_2) 		4 SER A 171
GLY A 158
GLU A 161
ASP A 160
 None
 1.01A 4uckB-1yzfA:
2.1		 4uckB-1yzfA:
18.63
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.
2axq SACCHAROPINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 SER A 301
GLY A 261
ASP A 266
ASP A 259
 None
 1.01A 4uckB-2axqA:
3.3		 4uckB-2axqA:
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.
2bh8 1B11

(Escherichia
coli) 		PF00313
(CSD) 		4 GLY A  21
GLU A  68
ASP A  39
ASP A  43
 None
 0.87A 4uckB-2bh8A:
undetectable		 4uckB-2bh8A:
13.01
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.
2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 GLY A 155
GLU A 108
ASP A 111
ASP A 119
 None
 1.03A 4uckB-2boyA:
undetectable		 4uckB-2boyA:
18.66
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.
2dmj POLY (ADP-RIBOSE)
POLYMERASE FAMILY,
MEMBER 1

(Homo sapiens) 		PF00645
(zf-PARP) 		4 GLY A  80
GLU A  19
ASP A  88
ASP A  75
 None
 1.05A 4uckB-2dmjA:
undetectable		 4uckB-2dmjA:
13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2drw D-AMINO ACID AMIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase) 		4 SER A 301
GLU A 356
ASP A 321
ASP A 352
 None
 1.02A 4uckB-2drwA:
undetectable		 4uckB-2drwA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e3u HYPOTHETICAL PROTEIN
PH1566

(Pyrococcus
horikoshii) 		PF00013
(KH_1) 		4 GLY A  74
GLU A  75
ASP A  43
ASP A  70
 None
 1.03A 4uckB-2e3uA:
undetectable		 4uckB-2e3uA:
19.22
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.
2fk9 PROTEIN KINASE C,
ETA TYPE

(Homo sapiens) 		PF00168
(C2) 		4 SER A 115
GLY A 120
GLU A 119
ASP A 123
 None
 1.01A 4uckB-2fk9A:
undetectable		 4uckB-2fk9A:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fn5 NEURABIN-1

(Rattus
norvegicus) 		PF00595
(PDZ) 		4 GLY A  45
GLU A  44
ASP A  13
ASP A  51
 None
 1.01A 4uckB-2fn5A:
undetectable		 4uckB-2fn5A:
14.52
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		4 SER A 640
GLY A 607
GLU A 632
ASP A 670
 None
 1.04A 4uckB-2gq3A:
undetectable		 4uckB-2gq3A:
19.57
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.
2gz6 N-ACETYL-D-GLUCOSAMI
NE 2-EPIMERASE

(Anabaena sp.
CH1) 		PF07221
(GlcNAc_2-epim) 		4 GLY A 232
GLU A 231
ASP A 287
ASP A 210
 None
 0.96A 4uckB-2gz6A:
undetectable		 4uckB-2gz6A:
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.
2kep GENERAL SECRETION
PATHWAY PROTEIN G

(Pseudomonas
aeruginosa) 		PF08334
(T2SSG) 		4 GLY A 135
GLU A 134
ASP A 131
ASP A 138
 None
 0.95A 4uckB-2kepA:
undetectable		 4uckB-2kepA:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mq0 MYOSIN-BINDING
PROTEIN C,
CARDIAC-TYPE

(Homo sapiens) 		PF07679
(I-set) 		4 SER A 530
GLY A 481
GLU A 479
ASP A 506
 None
 0.92A 4uckB-2mq0A:
undetectable		 4uckB-2mq0A:
13.51
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 SER A  57
GLY A  82
ASP A 132
ASP A 147
 SAM  A 300 (-2.6A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
SAM  A 300 (-3.9A)
 0.84A 4uckB-2oxtA:
9.4		 4uckB-2oxtA:
21.04
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.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
SAH  A 301 (-4.2A)
 0.62A 4uckB-2oy0A:
9.8		 4uckB-2oy0A:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p1n TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana) 		PF12937
(F-box-like) 		4 SER B 196
GLY B 147
ASP B 169
ASP B 120
 None
 0.91A 4uckB-2p1nB:
undetectable		 4uckB-2p1nB:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SAH  A 500 (-2.5A)
SAH  A 500 (-3.4A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
 0.60A 4uckB-2px5A:
9.8		 4uckB-2px5A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pz8 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Bacillus
anthracis) 		PF02540
(NAD_synthase) 		4 GLY A  48
ASP A 211
ASP A  51
ASP A  90
 None
GOL  A3309 (-3.2A)
APC  A3001 (-3.7A)
None
 0.96A 4uckB-2pz8A:
undetectable		 4uckB-2pz8A:
23.99
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.
2qn0 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 SER A 314
GLY A 150
ASP A 130
ASP A  23
 None
 0.99A 4uckB-2qn0A:
undetectable		 4uckB-2qn0A:
23.29
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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		4 SER A 644
GLY A 488
GLU A 489
ASP A 511
 ADP  A1001 (-2.4A)
None
ADP  A1001 ( 4.8A)
None
 0.99A 4uckB-2r6fA:
undetectable		 4uckB-2r6fA:
18.21
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.
2vmh FIBRONECTIN TYPE III
DOMAIN PROTEIN

(Clostridium
perfringens) 		PF08305
(NPCBM) 		4 GLY A1045
ASP A 928
ASP A 980
ASP A1046
 None
 0.90A 4uckB-2vmhA:
undetectable		 4uckB-2vmhA:
17.41
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		4 SER A 350
GLY A  69
ASP A 356
ASP A  68
 None
 0.92A 4uckB-2xsgA:
undetectable		 4uckB-2xsgA:
17.83
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.
2y0k PYROGLUTATMATE PORIN
OPDO

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 SER A 172
GLY A 195
ASP A 232
ASP A 176
 None
 1.06A 4uckB-2y0kA:
undetectable		 4uckB-2y0kA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF01842
(ACT)
PF13840
(ACT_7) 		4 GLY B  96
ASP B  93
ASP B 143
ASP B  12
 None
 1.05A 4uckB-3ab4B:
undetectable		 4uckB-3ab4B:
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 GLY A 109
GLU A 110
ASP A  75
ASP A 105
 None
 0.99A 4uckB-3af5A:
undetectable		 4uckB-3af5A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 SER A 204
GLY A 321
ASP A 279
ASP A 332
 None
 0.90A 4uckB-3b9eA:
undetectable		 4uckB-3b9eA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3biw NEUROLIGIN-1

(Rattus
norvegicus) 		PF00135
(COesterase) 		4 GLY A 425
GLU A 470
ASP A 430
ASP A 424
 None
 0.94A 4uckB-3biwA:
undetectable		 4uckB-3biwA:
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.
3buu UNCHARACTERIZED LOLA
SUPERFAMILY PROTEIN
NE2245

(Nitrosomonas
europaea) 		PF17131
(LolA_like) 		4 GLY A 127
GLU A  69
ASP A 223
ASP A 133
 None
 0.91A 4uckB-3buuA:
undetectable		 4uckB-3buuA:
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.
3buz IOTA TOXIN COMPONENT
IA

(Clostridium
perfringens) 		PF03496
(ADPrib_exo_Tox) 		4 SER A 229
GLY A 220
ASP A 212
ASP A 221
 None
 0.87A 4uckB-3buzA:
undetectable		 4uckB-3buzA:
24.73
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.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SAH  A 901 (-2.6A)
SAH  A 901 (-3.4A)
SAH  A 901 (-3.7A)
SAH  A 901 (-3.8A)
 0.74A 4uckB-3evcA:
9.7		 4uckB-3evcA:
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.
3fu1 GENERAL SECRETION
PATHWAY PROTEIN G

(Vibrio cholerae) 		PF08334
(T2SSG) 		4 GLY A 123
GLU A 122
ASP A 127
ASP A  32
 None
None
CA  A 301 (-3.1A)
None
 1.04A 4uckB-3fu1A:
undetectable		 4uckB-3fu1A:
12.05
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SAM  A4633 (-2.7A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.7A)
SAM  A4633 (-3.7A)
 0.76A 4uckB-3gczA:
9.6		 4uckB-3gczA:
21.26
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.
3gmw BETA-LACTAMASE
INHIBITORY PROTEIN
BLIP-I

(Streptomyces
exfoliatus) 		PF07467
(BLIP) 		4 GLY B  62
GLU B  61
ASP B  19
ASP B  60
 None
PO4  B 158 (-2.7A)
None
PO4  B 158 (-3.3A)
 1.05A 4uckB-3gmwB:
undetectable		 4uckB-3gmwB:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gue UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2

(Trypanosoma
brucei) 		PF01704
(UDPGP) 		4 GLY A 421
GLU A 423
ASP A 412
ASP A 420
 None
 1.01A 4uckB-3gueA:
undetectable		 4uckB-3gueA:
20.68
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.
3gvd SERINE
ACETYLTRANSFERASE

(Yersinia pestis) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		4 GLY A 199
GLU A 198
ASP A 250
ASP A 173
 None
 0.74A 4uckB-3gvdA:
undetectable		 4uckB-3gvdA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iht S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE

(Ruegeria
pomeroyi) 		PF12692
(Methyltransf_17) 		4 GLY A  47
GLU A  45
ASP A  90
ASP A 112
 SAM  A 200 (-3.3A)
SAM  A 200 ( 4.8A)
SAM  A 200 (-3.2A)
SAM  A 200 (-3.7A)
 1.01A 4uckB-3ihtA:
7.2		 4uckB-3ihtA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j6d PROTEIN PRGH

(Salmonella
enterica) 		PF09480
(PrgH) 		4 SER A 315
GLY A 329
GLU A 360
ASP A 332
 None
 0.97A 4uckB-3j6dA:
undetectable		 4uckB-3j6dA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kkr INTEGRASE

(Bovine
immunodeficiency
virus) 		PF00665
(rve) 		4 SER A 202
GLY A  82
GLU A  78
ASP A 157
 None
 0.86A 4uckB-3kkrA:
undetectable		 4uckB-3kkrA:
17.82
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.
3knt N-GLYCOSYLASE/DNA
LYASE

(Methanocaldococcus
jannaschii) 		no annotation 4 GLY A 183
GLU A 184
ASP A 142
ASP A 181
 None
 0.99A 4uckB-3kntA:
undetectable		 4uckB-3kntA:
20.39
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.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SFG  A 301 (-2.6A)
SFG  A 301 (-3.5A)
SFG  A 301 (-3.1A)
SFG  A 301 (-3.8A)
 0.56A 4uckB-3lkzA:
9.5		 4uckB-3lkzA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ml4 PROTEIN DOK-7

(Mus musculus) 		PF02174
(IRS) 		4 SER A  48
GLY A   9
GLU A   8
ASP A  92
 None
 1.04A 4uckB-3ml4A:
undetectable		 4uckB-3ml4A:
18.99
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.
3mvd REGULATOR OF
CHROMOSOME
CONDENSATION

(Drosophila
melanogaster) 		PF00415
(RCC1) 		4 GLY K 114
GLU K  59
ASP K 120
ASP K 113
 None
 1.01A 4uckB-3mvdK:
undetectable		 4uckB-3mvdK:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nea PEPTIDYL-TRNA
HYDROLASE

(Francisella
tularensis) 		PF01195
(Pept_tRNA_hydro) 		4 GLY A 102
GLU A 103
ASP A 163
ASP A 100
 None
None
None
CL  A 500 ( 4.4A)
 0.90A 4uckB-3neaA:
undetectable		 4uckB-3neaA:
21.07
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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 SER A 190
GLY A 221
GLU A 222
ASP A 149
 None
 0.93A 4uckB-3q3uA:
undetectable		 4uckB-3q3uA:
19.53
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.
3q5t TCR N30 BETA

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY A  73
GLU A  53
ASP A  25
ASP A  52
 None
 1.00A 4uckB-3q5tA:
undetectable		 4uckB-3q5tA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qve HMG BOX-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF08517
(AXH) 		4 GLY A 261
ASP A 283
ASP A 332
ASP A 260
 EDO  A  13 (-4.4A)
EDO  A  13 (-4.9A)
None
None
 0.99A 4uckB-3qveA:
undetectable		 4uckB-3qveA:
15.38
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.
3tos CALS11

(Micromonospora
echinospora) 		PF05711
(TylF) 		4 GLY A  77
GLU A  75
ASP A 166
ASP A 189
 SAH  A 258 (-3.4A)
SAH  A 258 (-3.2A)
SAH  A 258 (-3.4A)
SAH  A 258 ( 3.6A)
 1.06A 4uckB-3tosA:
6.6		 4uckB-3tosA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		4 SER A 644
GLY A 488
GLU A 489
ASP A 511
 ADP  A1002 (-2.6A)
None
ADP  A1002 ( 4.6A)
None
 1.02A 4uckB-3ux8A:
undetectable		 4uckB-3ux8A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 GLY D  10
GLU D  22
ASP A  43
ASP D  67
 None
 1.03A 4uckB-3w3aD:
undetectable		 4uckB-3w3aD:
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.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 GLY A 495
ASP A 311
ASP A 241
ASP A 493
 None
 1.00A 4uckB-4c22A:
undetectable		 4uckB-4c22A:
20.35
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.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		4 SER A 645
GLY A 612
GLU A 637
ASP A 675
 None
 1.03A 4uckB-4ex4A:
undetectable		 4uckB-4ex4A:
19.46
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.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		4 SER A 458
GLY A 465
GLU A 464
ASP A 466
 None
 0.92A 4uckB-4fwtA:
undetectable		 4uckB-4fwtA:
15.41
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.
4grx AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00202
(Aminotran_3) 		4 GLY A 411
ASP A  43
ASP A  51
ASP A 409
 None
 1.05A 4uckB-4grxA:
undetectable		 4uckB-4grxA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i14 RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBBA

(Mycobacterium
tuberculosis) 		PF00925
(GTP_cyclohydro2)
PF00926
(DHBP_synthase) 		4 GLY A 143
GLU A 146
ASP A  33
ASP A  25
 SO4  A 502 (-3.2A)
SO4  A 502 (-4.4A)
None
None
 0.89A 4uckB-4i14A:
undetectable		 4uckB-4i14A:
22.08
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		4 GLY A 487
GLU A 486
ASP A 325
ASP A 259
 None
 0.92A 4uckB-4ia5A:
undetectable		 4uckB-4ia5A:
19.93
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.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		4 GLY A 561
ASP A 408
ASP A 113
ASP A 554
 None
CA  A 704 (-3.3A)
None
CA  A 705 (-2.8A)
 0.82A 4uckB-4jjjA:
undetectable		 4uckB-4jjjA:
17.67
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SAH  A1001 (-2.8A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
 0.73A 4uckB-4k6mA:
9.3		 4uckB-4k6mA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		4 SER A 861
GLY A 881
GLU A 884
ASP A 930
 None
 1.04A 4uckB-4n3nA:
undetectable		 4uckB-4n3nA:
21.84
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.
4q6j LMO0131 PROTEIN

(Listeria
monocytogenes) 		PF00563
(EAL) 		4 GLY A 210
GLU A 209
ASP A 213
ASP A 175
 EDO  A 309 (-3.4A)
None
GOL  A 306 (-3.0A)
None
 1.02A 4uckB-4q6jA:
undetectable		 4uckB-4q6jA:
21.71
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 4 GLY A1696
ASP A1725
ASP A1755
ASP A1779
 None
 0.69A 4uckB-4uclA:
58.7		 4uckB-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 4 GLY A1696
GLU A1697
ASP A1755
ASP A1779
 None
 0.89A 4uckB-4uclA:
58.7		 4uckB-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 4 SER A1668
GLY A1696
ASP A1755
ASP A1779
 None
 0.61A 4uckB-4uclA:
58.7		 4uckB-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.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 GLY A 286
ASP A 108
ASP A 279
ASP A 309
 None
 0.88A 4uckB-4y9lA:
undetectable		 4uckB-4y9lA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 GLY A 259
GLU A 260
ASP A 264
ASP A 255
 None
 0.85A 4uckB-4zo6A:
undetectable		 4uckB-4zo6A:
20.45
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.
5a5l D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE

(Thermosynechococcus
elongatus) 		PF03320
(FBPase_glpX) 		4 GLY A  56
GLU A  57
ASP A 129
ASP A  97
 None
MG  A1341 (-2.8A)
None
MG  A1342 (-2.6A)
 0.89A 4uckB-5a5lA:
undetectable		 4uckB-5a5lA:
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.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 GLY A 217
GLU A 218
ASP A 274
ASP A 295
 None
None
None
GGL  A 601 (-3.0A)
 1.06A 4uckB-5cniA:
undetectable		 4uckB-5cniA:
20.04
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.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SAM  A 301 (-2.7A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.8A)
 0.57A 4uckB-5e9qA:
7.7		 4uckB-5e9qA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exk LIPOYL SYNTHASE

(Mycobacterium
tuberculosis) 		PF04055
(Radical_SAM)
PF16881
(LIAS_N) 		4 GLY A  50
GLU A  49
ASP A  99
ASP A  79
 None
 0.91A 4uckB-5exkA:
undetectable		 4uckB-5exkA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		4 GLY L 190
GLU L 189
ASP L  17
ASP L 192
 None
 0.81A 4uckB-5fmgL:
undetectable		 4uckB-5fmgL:
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.
5fyd OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Collinsella
aerofaciens) 		PF00106
(adh_short) 		4 GLY A 136
ASP A 134
ASP A  84
ASP A 180
 None
 1.00A 4uckB-5fydA:
4.8		 4uckB-5fydA:
19.52
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 GLU B 697
ASP B 673
ASP B 668
ASP B 735
 None
NAG  B1302 ( 4.8A)
None
None
 1.03A 4uckB-5gjeB:
undetectable		 4uckB-5gjeB:
21.07
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.
5gvx TREHALOSE-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF02358
(Trehalose_PPase) 		4 GLY A 205
GLU A 210
ASP A 147
ASP A 188
 None
None
MG  A 401 ( 2.9A)
None
 0.99A 4uckB-5gvxA:
undetectable		 4uckB-5gvxA:
19.57
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.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 4 GLY C 277
GLU C  44
ASP C  22
ASP C  30
 None
 0.96A 4uckB-5h9uC:
undetectable		 4uckB-5h9uC:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 GLY A 475
GLU A 173
ASP A 508
ASP A 460
 CL  A 702 ( 3.9A)
GLC  A 712 ( 2.7A)
None
None
 1.05A 4uckB-5hqbA:
undetectable		 4uckB-5hqbA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SAM  A 311 ( 2.7A)
SAM  A 311 (-3.2A)
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.8A)
 0.57A 4uckB-5ikmA:
9.5		 4uckB-5ikmA:
19.53
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		4 SER A 322
GLY A 200
GLU A 199
ASP A 160
 None
 0.97A 4uckB-5ix8A:
undetectable		 4uckB-5ix8A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjp NONRIBOSOMAL PEPTIDE
SYNTHASE

(Streptomyces
sp. MJ635-86F5) 		PF00501
(AMP-binding) 		4 GLY A 365
ASP A 349
ASP A 407
ASP A 352
 None
 1.01A 4uckB-5jjpA:
2.3		 4uckB-5jjpA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SAH  A1003 (-2.7A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.8A)
 0.55A 4uckB-5jjrA:
6.3		 4uckB-5jjrA:
18.46
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 GLY A 603
ASP A 153
ASP A 628
ASP A 600
 None
 1.02A 4uckB-5ju6A:
undetectable		 4uckB-5ju6A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 GLY A 140
ASP A 177
ASP A 174
ASP A 142
 None
 0.81A 4uckB-5m7rA:
undetectable		 4uckB-5m7rA:
18.13
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SAH  A1001 (-2.6A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.9A)
SAH  A1001 (-3.7A)
 0.76A 4uckB-5njuA:
9.5		 4uckB-5njuA:
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.
5nuq PROBABLE
PHOSPHOLIPID-BINDING
LIPOPROTEIN MLAA

(Serratia
marcescens) 		no annotation 4 GLY G 146
GLU G 145
ASP G 151
ASP G 144
 None
 0.92A 4uckB-5nuqG:
undetectable		 4uckB-5nuqG:
19.90
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.
5nur ABC TRANSPORTER
PERMEASE

(Klebsiella
pneumoniae) 		no annotation 4 GLY D 147
GLU D 146
ASP D 152
ASP D 145
 None
 1.05A 4uckB-5nurD:
undetectable		 4uckB-5nurD:
19.66
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 4 SER A 638
GLY A 605
GLU A 630
ASP A 668
 None
 1.06A 4uckB-5oasA:
undetectable		 4uckB-5oasA:
20.16
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.
5ov3 RETINOBLASTOMA-BINDI
NG PROTEIN 5

(Mus musculus) 		no annotation 4 GLY A  57
ASP A 340
ASP A  22
ASP A  52
 None
 1.05A 4uckB-5ov3A:
undetectable		 4uckB-5ov3A:
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 SER A  56
GLY A  81
ASP A 131
ASP A 146
 SAH  A1001 (-2.5A)
SAH  A1001 (-3.4A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.8A)
 0.62A 4uckB-5tmhA:
9.8		 4uckB-5tmhA:
19.75
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.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		4 GLY A 771
ASP A 532
ASP A 584
ASP A 770
 None
None
None
GOL  A 903 ( 3.2A)
 0.98A 4uckB-5uj6A:
undetectable		 4uckB-5uj6A:
18.57
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.
5xq5 30S RIBOSOMAL
PROTEIN S1

(Escherichia
coli) 		no annotation 4 GLY A  20
GLU A  19
ASP A  35
ASP A  64
 None
 1.04A 4uckB-5xq5A:
undetectable		 4uckB-5xq5A:
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		4 SER A 644
GLY A 611
GLU A 636
ASP A 674
 None
 1.02A 4uckB-6axeA:
undetectable		 4uckB-6axeA:
19.89