SIMILAR PATTERNS OF AMINO ACIDS FOR 5WYQ_B_SAMB301_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.
1ehy PROTEIN (SOLUBLE
EPOXIDE HYDROLASE)

(Agrobacterium
tumefaciens) 		PF00561
(Abhydrolase_1) 		5 TYR A 251
PRO A 135
GLY A 243
GLY A 274
GLY A 245
 None
 1.01A 5wyqB-1ehyA:
2.1		 5wyqB-1ehyA:
22.01
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.
1gxk CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF06470
(SMC_hinge) 		5 GLY A 615
ILE A 576
LEU A 609
GLY A 610
GLY A 611
 None
 0.92A 5wyqB-1gxkA:
undetectable		 5wyqB-1gxkA:
23.74
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.
1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I

(Homo sapiens) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A 235
ILE A 461
LEU A  65
GLY A  87
GLY A  86
 None
 0.98A 5wyqB-1jcnA:
undetectable		 5wyqB-1jcnA:
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.
1jfr LIPASE

(Streptomyces
exfoliatus) 		PF03403
(PAF-AH_p_II) 		5 GLY A 133
LEU A 138
GLY A 135
GLY A 134
PRO A 152
 None
 0.98A 5wyqB-1jfrA:
2.2		 5wyqB-1jfrA:
22.81
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		5 GLY A 112
ILE A 172
LEU A 117
GLY A 116
GLY A 113
 None
 1.00A 5wyqB-1kzhA:
undetectable		 5wyqB-1kzhA:
18.74
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.
1m0w GLUTATHIONE
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 LEU A 414
GLN A 384
LEU A 364
GLY A 365
GLY A 368
 None
 0.92A 5wyqB-1m0wA:
undetectable		 5wyqB-1m0wA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nph GELSOLIN

(Mus musculus) 		PF00626
(Gelsolin) 		5 GLN A 485
LEU A 490
GLY A 491
GLY A 492
PRO A 494
 None
 0.95A 5wyqB-1nphA:
undetectable		 5wyqB-1nphA:
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.
1od5 GLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		5 LEU A 374
GLY A 438
ILE A 379
GLY A 435
GLY A 434
 None
 1.00A 5wyqB-1od5A:
undetectable		 5wyqB-1od5A:
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.
1oj4 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Escherichia
coli) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 241
TYR A  37
GLY A 103
GLY A 102
PRO A  99
 None
None
ANP  A1285 (-3.0A)
ANP  A1285 (-4.0A)
None
 0.93A 5wyqB-1oj4A:
undetectable		 5wyqB-1oj4A:
26.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p9p TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF01746
(tRNA_m1G_MT) 		8 PRO A  89
GLN A  90
GLY A 113
ILE A 133
TYR A 136
LEU A 138
GLY A 140
PRO A 144
 SAH  A 300 (-3.8A)
SAH  A 300 (-3.2A)
SAH  A 300 (-3.2A)
SAH  A 300 (-4.4A)
SAH  A 300 (-4.8A)
SAH  A 300 (-4.1A)
SAH  A 300 (-3.1A)
SAH  A 300 (-4.5A)
 1.04A 5wyqB-1p9pA:
28.1		 5wyqB-1p9pA:
62.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p9p TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF01746
(tRNA_m1G_MT) 		12 TYR A  86
LEU A  87
PRO A  89
GLN A  90
GLY A 113
SER A 132
ILE A 133
TYR A 136
LEU A 138
GLY A 140
GLY A 141
PRO A 144
 SAH  A 300 (-4.4A)
SAH  A 300 (-4.4A)
SAH  A 300 (-3.8A)
SAH  A 300 (-3.2A)
SAH  A 300 (-3.2A)
SAH  A 300 (-3.6A)
SAH  A 300 (-4.4A)
SAH  A 300 (-4.8A)
SAH  A 300 (-4.1A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.5A)
SAH  A 300 (-4.5A)
 0.31A 5wyqB-1p9pA:
28.1		 5wyqB-1p9pA:
62.16
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.
1q6y HYPOTHETICAL PROTEIN
YFDW

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 PRO A 230
GLN A 231
GLY A 249
ILE A 307
GLY A 248
 None
MPD  A1100 ( 4.5A)
None
None
None
 0.99A 5wyqB-1q6yA:
undetectable		 5wyqB-1q6yA:
19.07
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.
1spj KALLIKREIN 1

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 197
TYR A  64
LEU A  33
GLY A  43
GLY A 196
 None
 0.90A 5wyqB-1spjA:
undetectable		 5wyqB-1spjA:
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.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A  50
TYR A  39
LEU A  43
GLY A  48
GLY A  49
 None
 0.97A 5wyqB-1tuoA:
undetectable		 5wyqB-1tuoA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tzb GLUCOSE-6-PHOSPHATE
ISOMERASE,
CONJECTURAL

(Pyrobaculum
aerophilum) 		PF10432
(bact-PGI_C) 		5 GLY A  49
SER A  89
GLY A  46
GLY A  47
PRO A 134
 None
SO4  A 709 (-3.1A)
None
SO4  A 709 ( 4.8A)
SO4  A 709 (-4.2A)
 0.90A 5wyqB-1tzbA:
2.1		 5wyqB-1tzbA:
20.71
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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT
DIOL DEHYDRASE BETA
SUBUNIT

(Klebsiella
oxytoca;
Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU)
PF02288
(Dehydratase_MU) 		5 GLN B 197
GLY A 261
SER A 307
ILE A 313
GLY A 298
 CNC  B2601 ( 4.6A)
NH4  A2604 (-4.1A)
None
None
None
 0.97A 5wyqB-1uc4B:
undetectable		 5wyqB-1uc4B:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y1u SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 5A

(Mus musculus) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		5 TYR A 405
LEU A 412
SER A 413
LEU A 355
GLY A 357
 None
 1.01A 5wyqB-1y1uA:
undetectable		 5wyqB-1y1uA:
18.27
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 TYR A 495
LEU A 580
GLY A 574
GLY A 600
GLY A 578
 None
 0.99A 5wyqB-1yr2A:
undetectable		 5wyqB-1yr2A:
15.01
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.
2b2x INTEGRIN ALPHA-1
ANTIBODY AQC2 FAB

(Rattus
norvegicus;
Mus musculus) 		PF00092
(VWA)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  55
SER A 156
ILE A 159
GLY H  53
GLY H  54
 None
MG  A 400 (-2.6A)
None
None
None
 1.00A 5wyqB-2b2xH:
undetectable		 5wyqB-2b2xH:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 LEU A 115
GLY A  68
ILE A 136
GLY A 117
GLY A 116
 None
 0.97A 5wyqB-2d3tA:
undetectable		 5wyqB-2d3tA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		6 LEU A 661
GLY A 689
LEU A 658
GLY A 659
GLY A 660
PRO A 445
 None
 1.29A 5wyqB-2ipcA:
undetectable		 5wyqB-2ipcA:
14.13
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.
2kl3 ALR3790 PROTEIN

(Nostoc sp. PCC
7120) 		PF00581
(Rhodanese) 		6 LEU A  94
GLY A  68
ILE A  37
LEU A  90
GLY A  92
GLY A  93
 None
 1.37A 5wyqB-2kl3A:
undetectable		 5wyqB-2kl3A:
23.41
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.
2lbf 60S ACIDIC RIBOSOMAL
PROTEIN P1
60S ACIDIC RIBOSOMAL
PROTEIN P2

(Homo sapiens;
Homo sapiens) 		PF00428
(Ribosomal_60s)
PF00428
(Ribosomal_60s) 		5 LEU B 112
GLY A  36
ILE B 151
GLY B 114
GLY B 113
 None
 0.98A 5wyqB-2lbfB:
undetectable		 5wyqB-2lbfB:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lbw H/ACA
RIBONUCLEOPROTEIN
COMPLEX SUBUNIT 2

(Saccharomyces
cerevisiae) 		PF01248
(Ribosomal_L7Ae) 		5 LEU A 110
GLY A 114
SER A 121
ILE A  81
GLY A 111
 None
 0.95A 5wyqB-2lbwA:
undetectable		 5wyqB-2lbwA:
20.36
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		5 LEU A  96
GLY A  93
ILE A  38
GLY A  91
GLY A  92
 None
4PA  A 369 (-3.6A)
None
4PA  A 369 ( 3.8A)
4PA  A 369 (-3.5A)
 0.98A 5wyqB-2o7rA:
undetectable		 5wyqB-2o7rA:
23.28
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.
2ppy ENOYL-COA HYDRATASE

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 PRO A 138
GLY A  69
LEU A 117
GLY A 116
GLY A 115
 None
 0.93A 5wyqB-2ppyA:
undetectable		 5wyqB-2ppyA:
23.78
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.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermotoga
maritima) 		PF00342
(PGI) 		5 PRO A 300
SER A 259
LEU A 283
GLY A 284
GLY A 297
 None
 0.94A 5wyqB-2q8nA:
undetectable		 5wyqB-2q8nA:
19.47
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.
2uz0 TRIBUTYRIN ESTERASE

(Streptococcus
pneumoniae) 		PF00756
(Esterase) 		5 GLY A 144
ILE A 116
LEU A  42
GLY A 122
GLY A 123
 None
 0.93A 5wyqB-2uz0A:
undetectable		 5wyqB-2uz0A:
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 GLN A 134
ILE A 309
LEU A 295
GLY A 149
GLY A 141
 None
 0.98A 5wyqB-2vf8A:
undetectable		 5wyqB-2vf8A:
16.35
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 115
ILE A  94
LEU A 120
GLY A 117
GLY A 116
 None
 0.94A 5wyqB-2wtbA:
undetectable		 5wyqB-2wtbA:
16.32
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		6 GLN A  31
GLY A  77
LEU A  67
GLY A  75
GLY A  76
PRO A 402
 None
 1.13A 5wyqB-2xsgA:
undetectable		 5wyqB-2xsgA:
14.72
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.
2xyk 2-ON-2 HEMOGLOBIN

(Agrobacterium
tumefaciens) 		PF01152
(Bac_globin) 		6 TYR A  56
LEU A  57
GLY A  59
ILE A 114
LEU A   8
GLY A  62
 HEM  A 700 (-4.1A)
None
None
None
None
None
 1.38A 5wyqB-2xykA:
undetectable		 5wyqB-2xykA:
22.14
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		5 LEU A 745
GLY A 762
GLY A 765
GLY A 764
PRO A 742
 None
MG  A1939 (-3.9A)
MG  A1939 (-3.8A)
None
None
 1.00A 5wyqB-2yhgA:
undetectable		 5wyqB-2yhgA:
19.27
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.
2z1q ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 505
ILE A 575
LEU A 502
GLY A 503
GLY A 504
 None
 0.88A 5wyqB-2z1qA:
undetectable		 5wyqB-2z1qA:
18.72
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.
3ai9 UPF0217 PROTEIN
MJ1640

(Methanocaldococcus
jannaschii) 		PF04013
(Methyltrn_RNA_2) 		5 TYR X 135
LEU X 136
GLY X 156
SER X 178
LEU X 184
 None
SAM  X 501 (-4.3A)
SAM  X 501 (-3.2A)
SAM  X 501 ( 3.7A)
SAM  X 501 (-4.3A)
 0.69A 5wyqB-3ai9X:
4.3		 5wyqB-3ai9X:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aq1 THERMOSOME SUBUNIT

(Methanococcoides
burtonii) 		PF00118
(Cpn60_TCP1) 		5 LEU B 468
GLN B 458
GLY B 401
GLY B 399
GLY B 400
 None
 0.93A 5wyqB-3aq1B:
undetectable		 5wyqB-3aq1B:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		5 LEU A 295
PRO A 297
SER A 331
GLY A 313
GLY A 294
 None
 0.99A 5wyqB-3b9tA:
undetectable		 5wyqB-3b9tA:
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.
3ddd PUTATIVE
ACETYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF00583
(Acetyltransf_1) 		5 GLY A  71
ILE A  95
TYR A   5
LEU A  47
GLY A  59
 None
None
EDO  A 301 ( 4.5A)
EDO  A 301 ( 4.8A)
None
 0.88A 5wyqB-3dddA:
undetectable		 5wyqB-3dddA:
24.01
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.
3dwi CYSTEINE SYNTHASE B

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		6 LEU A 281
GLY A 279
LEU A 274
GLY A 275
GLY A 277
PRO A  24
 None
 1.18A 5wyqB-3dwiA:
undetectable		 5wyqB-3dwiA:
24.15
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		6 LEU A 290
GLY A 260
ILE A 291
TYR A 332
LEU A 340
GLY A 300
 None
 1.41A 5wyqB-3fdgA:
undetectable		 5wyqB-3fdgA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ftb HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Clostridium
acetobutylicum) 		PF00155
(Aminotran_1_2) 		5 GLY A  86
ILE A  70
LEU A  83
GLY A  84
GLY A 225
 PO4  A 362 (-3.4A)
None
None
None
None
 0.92A 5wyqB-3ftbA:
undetectable		 5wyqB-3ftbA:
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.
3gff IROE-LIKE SERINE
HYDROLASE

(Shewanella
oneidensis) 		PF00756
(Esterase) 		5 LEU A 167
GLN A 247
GLY A 147
SER A 250
GLY A 142
 None
 0.97A 5wyqB-3gffA:
2.1		 5wyqB-3gffA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 GLY A 483
SER A 502
ILE A 501
GLY A 459
GLY A 486
 None
 0.92A 5wyqB-3gq9A:
undetectable		 5wyqB-3gq9A:
18.17
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLN B 699
GLY B 930
LEU B 724
GLY B 986
GLY B 927
 None
 1.00A 5wyqB-3hkzB:
undetectable		 5wyqB-3hkzB:
12.74
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 LEU 3 399
PRO 3 453
GLY 3 508
ILE 3 476
GLY 3 510
 None
 1.01A 5wyqB-3i9v3:
undetectable		 5wyqB-3i9v3:
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ief TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Bartonella
henselae) 		PF01746
(tRNA_m1G_MT) 		6 PRO A  87
GLY A 111
ILE A 131
TYR A 134
LEU A 136
GLY A 139
 None
 1.14A 5wyqB-3iefA:
21.8		 5wyqB-3iefA:
42.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ief TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Bartonella
henselae) 		PF01746
(tRNA_m1G_MT) 		8 PRO A  87
GLY A 111
SER A 130
ILE A 131
TYR A 134
LEU A 136
GLY A 138
GLY A 139
 None
 0.59A 5wyqB-3iefA:
21.8		 5wyqB-3iefA:
42.97
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.
3jtx AMINOTRANSFERASE

(Neisseria
meningitidis) 		PF00155
(Aminotran_1_2) 		6 GLY A 370
SER A 180
LEU A 358
GLY A 355
GLY A 368
PRO A 127
 None
 1.40A 5wyqB-3jtxA:
undetectable		 5wyqB-3jtxA:
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		6 LEU A 550
GLY A 578
LEU A 547
GLY A 548
GLY A 549
PRO A 476
 None
 1.30A 5wyqB-3juxA:
undetectable		 5wyqB-3juxA:
15.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3knu TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Anaplasma
phagocytophilum) 		PF01746
(tRNA_m1G_MT) 		8 PRO A  88
GLY A 112
SER A 131
ILE A 132
TYR A 135
LEU A 137
GLY A 139
GLY A 140
 None
 0.30A 5wyqB-3knuA:
24.0		 5wyqB-3knuA:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus) 		PF01746
(tRNA_m1G_MT) 		8 PRO A  87
GLY A 111
SER A 130
TYR A 134
LEU A 136
GLY A 138
GLY A 139
PRO A 142
 OCS  A  86 ( 2.5A)
None
OCS  A  86 ( 3.8A)
None
None
None
None
None
 0.73A 5wyqB-3ky7A:
20.8		 5wyqB-3ky7A:
39.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus) 		PF01746
(tRNA_m1G_MT) 		6 PRO A  87
SER A 130
TYR A 134
LEU A 136
GLY A 138
PRO A 142
 OCS  A  86 ( 2.5A)
OCS  A  86 ( 3.8A)
None
None
None
None
 1.22A 5wyqB-3ky7A:
20.8		 5wyqB-3ky7A:
39.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus) 		PF01746
(tRNA_m1G_MT) 		5 TYR A 116
PRO A  87
GLY A 111
ILE A 129
GLY A 139
 OCS  A  86 ( 4.6A)
OCS  A  86 ( 2.5A)
None
None
None
 0.98A 5wyqB-3ky7A:
20.8		 5wyqB-3ky7A:
39.11
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.
3mp7 PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Pyrococcus
furiosus) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 GLY A 431
ILE A 420
LEU A 437
GLY A 435
GLY A 433
 None
 0.95A 5wyqB-3mp7A:
undetectable		 5wyqB-3mp7A:
21.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus) 		PF01746
(tRNA_m1G_MT) 		8 PRO A  85
GLY A 109
SER A 132
ILE A 133
TYR A 136
LEU A 138
GLY A 140
GLY A 141
 EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
None
None
None
EDO  A 243 (-4.0A)
EDO  A 243 (-4.1A)
EDO  A 243 (-3.6A)
 0.64A 5wyqB-3quvA:
21.1		 5wyqB-3quvA:
41.25
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.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 LEU A  99
GLY A  10
ILE A 120
GLY A 101
GLY A 100
 None
 0.84A 5wyqB-3s2uA:
undetectable		 5wyqB-3s2uA:
23.70
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.
3s9j MEMBER OF DUF4221
FAMILY

(Bacteroides
vulgatus) 		PF13970
(DUF4221) 		6 TYR A 217
GLY A 274
ILE A 176
TYR A 209
GLY A 223
GLY A 222
 None
None
None
None
FMT  A 404 ( 3.2A)
GOL  A 416 ( 3.3A)
 1.14A 5wyqB-3s9jA:
undetectable		 5wyqB-3s9jA:
20.11
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.
3sc4 SHORT CHAIN
DEHYDROGENASE
(A0QTM2 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF00106
(adh_short) 		5 LEU A  34
GLY A  12
ILE A  56
GLY A  18
GLY A  13
 None
UNL  A 290 ( 3.3A)
None
EDO  A 282 (-3.8A)
UNL  A 291 ( 4.4A)
 0.97A 5wyqB-3sc4A:
undetectable		 5wyqB-3sc4A:
24.60
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.
3sll PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 GLY A 115
ILE A  95
LEU A 120
GLY A 117
GLY A 116
 None
 1.00A 5wyqB-3sllA:
undetectable		 5wyqB-3sllA:
24.15
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.
3tbh O-ACETYL SERINE
SULFHYDRYLASE

(Leishmania
donovani) 		PF00291
(PALP) 		5 GLY A  95
SER A  14
ILE A  15
LEU A  90
GLY A  91
 None
 0.85A 5wyqB-3tbhA:
undetectable		 5wyqB-3tbhA:
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.
4ayj BOGT -
METAL-INDEPENDENT
GLYCOSYLTRANSFERASE

(Bacteroides
ovatus) 		PF03414
(Glyco_transf_6) 		5 PRO A 204
LEU A 118
GLY A 160
GLY A 161
PRO A 110
 None
 0.95A 5wyqB-4ayjA:
undetectable		 5wyqB-4ayjA:
21.03
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 PRO A 140
GLY A  67
LEU A 118
GLY A 117
GLY A 116
 COA  A1730 (-4.2A)
COA  A1730 ( 4.3A)
None
None
None
 0.88A 5wyqB-4b3iA:
undetectable		 5wyqB-4b3iA:
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.
4d2i HERA

(Sulfolobus
solfataricus) 		PF01935
(DUF87)
PF05872
(DUF853)
PF09378
(HAS-barrel) 		5 GLY A 305
ILE A 121
LEU A 168
GLY A 169
GLY A 170
 None
 0.93A 5wyqB-4d2iA:
undetectable		 5wyqB-4d2iA:
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.
4dji PROBABLE
GLUTAMATE/GAMMA-AMIN
OBUTYRATE ANTIPORTER

(Escherichia
coli) 		PF13520
(AA_permease_2) 		6 LEU A 297
GLY A 300
ILE A 293
LEU A 166
GLY A 163
PRO A 167
 None
 1.46A 5wyqB-4djiA:
undetectable		 5wyqB-4djiA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		5 LEU A 131
GLY A  65
SER A  48
GLY A 133
GLY A 132
 None
 1.00A 5wyqB-4dz4A:
undetectable		 5wyqB-4dz4A:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h3z TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Paraburkholderia
phymatum) 		PF01746
(tRNA_m1G_MT) 		7 PRO A  93
GLY A 117
SER A 136
LEU A 142
GLY A 144
GLY A 145
PRO A 148
 SAH  A 301 (-3.7A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.3A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.4A)
 0.23A 5wyqB-4h3zA:
27.8		 5wyqB-4h3zA:
53.46
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.
4hpf POTASSIUM CHANNEL
SUBFAMILY U MEMBER 1

(Homo sapiens) 		PF03493
(BK_channel_a) 		5 GLY A 491
SER A 795
ILE A 716
LEU A 488
GLY A 486
 None
 0.88A 5wyqB-4hpfA:
undetectable		 5wyqB-4hpfA:
16.51
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.
4i3f SERINE HYDROLASE
CCSP0084

(Cycloclasticus
sp. P1) 		PF12697
(Abhydrolase_6) 		5 LEU A 126
ILE A 100
LEU A  29
GLY A 106
GLY A 107
 None
 0.97A 5wyqB-4i3fA:
2.1		 5wyqB-4i3fA:
20.25
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.
4ikh GLUTATHIONE
S-TRANSFERASE

(Pseudomonas
protegens) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 TYR A 197
LEU A 193
GLY A 131
ILE A 190
GLY A 127
 None
None
GSH  A 303 (-3.3A)
None
GSH  A 303 (-3.8A)
 0.81A 5wyqB-4ikhA:
undetectable		 5wyqB-4ikhA:
21.43
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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  67
SER A  35
LEU A  64
GLY A  65
GLY A  66
 None
 0.88A 5wyqB-4iv8A:
undetectable		 5wyqB-4iv8A:
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.
4izd ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Ruegeria
pomeroyi) 		PF00378
(ECH_1) 		6 LEU A  71
GLY A 117
ILE A  40
LEU A 122
GLY A 119
GLY A 118
 None
 1.38A 5wyqB-4izdA:
undetectable		 5wyqB-4izdA:
23.65
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.
4izd ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Ruegeria
pomeroyi) 		PF00378
(ECH_1) 		5 PRO A 140
GLY A  70
LEU A 120
GLY A 119
GLY A 118
 None
1HE  A 301 ( 4.6A)
None
None
None
 0.97A 5wyqB-4izdA:
undetectable		 5wyqB-4izdA:
23.65
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.
4jwv SHORT CHAIN
ENOYL-COA HYDRATASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		5 GLN A 149
GLY A 107
LEU A 112
GLY A 109
GLY A 108
 None
 0.97A 5wyqB-4jwvA:
undetectable		 5wyqB-4jwvA:
21.36
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.
4kjy HIGH-AFFINITY SIRPA
VARIANT FD6

(Homo sapiens) 		PF07686
(V-set) 		5 GLN B   8
GLY B  41
ILE B  78
LEU B 111
GLY B  87
 None
 0.91A 5wyqB-4kjyB:
undetectable		 5wyqB-4kjyB:
22.17
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.
4lcm TRANSESTERASE

(Aspergillus
terreus) 		PF00144
(Beta-lactamase) 		5 LEU A 138
GLY A 340
ILE A 192
GLY A 343
GLY A 342
 None
 1.01A 5wyqB-4lcmA:
undetectable		 5wyqB-4lcmA:
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.
4nvr PUTATIVE
ACYLTRANSFERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		5 GLY A 254
TYR A 291
LEU A 278
GLY A 251
GLY A 252
 None
 0.99A 5wyqB-4nvrA:
undetectable		 5wyqB-4nvrA:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4olq ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Hyphomonas
neptunium) 		PF00378
(ECH_1) 		5 TYR A 142
GLY A 111
LEU A 116
GLY A 113
GLY A 112
 None
 0.99A 5wyqB-4olqA:
undetectable		 5wyqB-4olqA:
24.46
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 LEU A 175
ILE A 147
LEU A  77
GLY A 153
GLY A 154
 None
 0.85A 5wyqB-4p9nA:
2.3		 5wyqB-4p9nA:
23.82
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.
4pe8 TAT-LINKED QUALITY
CONTROL PROTEIN TATD

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 PRO A  63
GLY A  36
SER A  66
GLY A  90
GLY A  60
 None
 0.85A 5wyqB-4pe8A:
undetectable		 5wyqB-4pe8A:
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 GLY A 221
SER A 178
ILE A 160
GLY A 201
GLY A 202
 None
None
None
289  A 422 ( 4.0A)
None
 0.95A 5wyqB-4q1qA:
undetectable		 5wyqB-4q1qA:
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.
4qb9 ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycolicibacterium
smegmatis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 GLY A 132
ILE A 351
LEU A 359
GLY A 358
GLY A 357
 None
 1.00A 5wyqB-4qb9A:
undetectable		 5wyqB-4qb9A:
24.62
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.
4r72 ABC-TYPE FE3+
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Actinobacillus
pleuropneumoniae) 		PF13343
(SBP_bac_6) 		5 GLY A  58
SER A  65
LEU A 230
GLY A 231
GLY A 232
 None
 0.90A 5wyqB-4r72A:
undetectable		 5wyqB-4r72A:
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.
4uaq PROTEIN TRANSLOCASE
SUBUNIT SECA 2

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		6 LEU A 525
GLY A 553
LEU A 522
GLY A 523
GLY A 524
PRO A 444
 None
 1.42A 5wyqB-4uaqA:
undetectable		 5wyqB-4uaqA:
16.77
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.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP) 		5 LEU A 394
GLY A 390
SER A 396
GLY A 392
GLY A 393
 None
 1.00A 5wyqB-4wk4A:
undetectable		 5wyqB-4wk4A:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ypw TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Haemophilus
influenzae) 		PF01746
(tRNA_m1G_MT) 		12 TYR A  86
LEU A  87
PRO A  89
GLN A  90
GLY A 113
SER A 132
ILE A 133
TYR A 136
LEU A 138
GLY A 140
GLY A 141
PRO A 144
 None
None
4FD  A 301 ( 3.6A)
None
4FD  A 301 (-4.7A)
4FD  A 301 (-3.2A)
4FD  A 301 (-4.1A)
None
4FD  A 301 (-3.9A)
4FD  A 301 (-3.6A)
4FD  A 301 (-3.9A)
4FD  A 301 (-4.5A)
 0.25A 5wyqB-4ypwA:
28.2		 5wyqB-4ypwA:
62.50
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 GLY A 579
SER A 566
LEU A 573
GLY A 576
GLY A 577
 None
 0.99A 5wyqB-4zr5A:
undetectable		 5wyqB-4zr5A:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a1k ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		5 GLN A  84
LEU A  89
GLY A  90
GLY A  91
PRO A  93
 None
 0.97A 5wyqB-5a1kA:
undetectable		 5wyqB-5a1kA:
22.32
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.
5b2g ENDOLYSIN,CLAUDIN-4

(Homo sapiens;
Escherichia
virus T4) 		PF00822
(PMP22_Claudin)
PF00959
(Phage_lysozyme) 		5 LEU A1289
GLY A1342
LEU A1337
GLY A1340
GLY A1341
 None
 1.00A 5wyqB-5b2gA:
undetectable		 5wyqB-5b2gA:
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		5 SER A 391
ILE A 393
LEU A 385
GLY A 382
GLY A 381
 SO4  A 709 (-3.9A)
None
None
None
ZN  A 703 ( 4.8A)
 0.89A 5wyqB-5cbmA:
3.1		 5wyqB-5cbmA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ffq SHUY-LIKE PROTEIN

(Escherichia
coli) 		PF13460
(NAD_binding_10) 		5 GLY A 172
LEU A 153
GLY A 152
GLY A 151
PRO A 150
 None
PO4  A 301 (-4.8A)
None
None
None
 0.88A 5wyqB-5ffqA:
undetectable		 5wyqB-5ffqA:
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.
5g56 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		5 LEU A 292
GLY A 283
SER A 329
GLY A 290
GLY A 291
 None
 0.97A 5wyqB-5g56A:
undetectable		 5wyqB-5g56A:
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.
5hd2 PARASPORAL CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 GLY A 126
SER A 293
ILE A 292
GLY A 128
GLY A 124
 None
 0.98A 5wyqB-5hd2A:
undetectable		 5wyqB-5hd2A:
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.
5hxb PROTEIN CEREBLON

(Homo sapiens) 		no annotation 5 TYR Z 349
PRO Z  54
SER Z  56
LEU Z 342
GLY Z 344
 None
 0.99A 5wyqB-5hxbZ:
undetectable		 5wyqB-5hxbZ:
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.
5k1r BURKHOLDERIA
PSEUDOMALLEI
SPHINGOSINE-1-PHOSPH
ATE LYASE BPSS2021

(Burkholderia
pseudomallei) 		PF00282
(Pyridoxal_deC) 		5 LEU A 236
GLY A 234
TYR A 274
GLY A 238
GLY A 237
 PLP  A 501 (-3.6A)
None
None
None
None
 0.83A 5wyqB-5k1rA:
undetectable		 5wyqB-5k1rA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 5 TYR A 537
GLN A 314
ILE A 202
LEU A 529
GLY A 530
 None
 1.01A 5wyqB-5uj1A:
undetectable		 5wyqB-5uj1A:
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.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		5 LEU A 207
ILE A 208
LEU A 205
GLY A 202
GLY A 203
 None
 0.97A 5wyqB-5vatA:
undetectable		 5wyqB-5vatA:
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.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 TYR A 421
GLY A 373
ILE A 377
TYR A 433
GLY A 437
 None
 0.94A 5wyqB-5vf3A:
undetectable		 5wyqB-5vf3A:
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.
5wax -

(-) 		no annotation 5 GLN A 115
GLY A 142
ILE A  70
LEU A 139
GLY A  91
 None
GOL  A 502 ( 4.4A)
None
None
None
 0.93A 5wyqB-5waxA:
undetectable		 5wyqB-5waxA:
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.
5wyr TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Pseudomonas
aeruginosa) 		no annotation 12 TYR A  91
LEU A  92
PRO A  94
GLN A  95
GLY A 118
SER A 137
ILE A 138
TYR A 141
LEU A 143
GLY A 145
GLY A 146
PRO A 149
 SFG  A 400 (-4.6A)
SFG  A 400 (-4.6A)
SFG  A 400 (-3.7A)
SFG  A 400 (-2.7A)
SFG  A 400 (-3.4A)
SFG  A 400 (-3.3A)
SFG  A 400 (-4.4A)
SFG  A 400 (-4.6A)
SFG  A 400 (-4.2A)
SFG  A 400 (-3.2A)
SFG  A 400 (-3.7A)
SFG  A 400 (-4.4A)
 0.24A 5wyqB-5wyrA:
31.4		 5wyqB-5wyrA:
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.
6et0 PQSB

(Pseudomonas
aeruginosa) 		no annotation 5 LEU B  21
GLY B 229
LEU B  17
GLY B  23
GLY B  22
 None
None
CSO  B  16 ( 3.8A)
CSO  B  16 ( 4.0A)
None
 1.00A 5wyqB-6et0B:
undetectable		 5wyqB-6et0B:
undetectable