SIMILAR PATTERNS OF AMINO ACIDS FOR 5BS8_G_MFXG101

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.
1b9h PROTEIN
(3-AMINO-5-HYDROXYBE
NZOIC ACID SYNTHASE)

(Amycolatopsis
mediterranei) 		PF01041
(DegT_DnrJ_EryC1) 		4 ALA A  58
ARG A 172
GLY A 174
GLU A 175
 None
 0.87A 5bs8A-1b9hA:
1.0
5bs8C-1b9hA:
1.1
5bs8D-1b9hA:
0.2		 5bs8A-1b9hA:
22.31
5bs8C-1b9hA:
22.31
5bs8D-1b9hA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A  96
ARG A  68
GLY A  66
GLU A  65
 None
 0.68A 5bs8A-1bqgA:
0.0
5bs8C-1bqgA:
0.0
5bs8D-1bqgA:
0.9		 5bs8A-1bqgA:
23.27
5bs8C-1bqgA:
23.27
5bs8D-1bqgA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 ASP A 346
ARG A 349
GLY A 381
GLU A 380
 None
CBS  A1001 (-3.0A)
None
None
 0.80A 5bs8A-1c7tA:
0.0
5bs8C-1c7tA:
0.0
5bs8D-1c7tA:
undetectable		 5bs8A-1c7tA:
21.29
5bs8C-1c7tA:
21.29
5bs8D-1c7tA:
15.47
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ALA A  97
ASP A 598
THR A 799
GLU A 797
 None
 0.91A 5bs8A-1f4hA:
0.0
5bs8C-1f4hA:
0.0
5bs8D-1f4hA:
undetectable		 5bs8A-1f4hA:
19.17
5bs8C-1f4hA:
19.17
5bs8D-1f4hA:
13.79
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.
1gey HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 ALA A  36
ARG A  82
GLY A  83
GLU A  86
 PPE  A 413 (-3.7A)
None
PPE  A 413 (-3.4A)
None
 0.78A 5bs8A-1geyA:
1.3
5bs8C-1geyA:
1.3
5bs8D-1geyA:
1.0		 5bs8A-1geyA:
24.36
5bs8C-1geyA:
24.36
5bs8D-1geyA:
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.
1it5 PHOSPHOLIPASE A2

(Streptomyces
violaceoruber) 		PF09056
(Phospholip_A2_3) 		4 ALA A  26
ASP A  39
ARG A  69
GLY A  67
 None
 0.89A 5bs8A-1it5A:
0.0
5bs8C-1it5A:
0.0
5bs8D-1it5A:
undetectable		 5bs8A-1it5A:
12.33
5bs8C-1it5A:
12.33
5bs8D-1it5A:
17.86
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.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		4 ALA A 909
ASP A1010
THR A1146
GLU A1147
 None
 0.78A 5bs8A-1k7yA:
0.0
5bs8C-1k7yA:
0.0
5bs8D-1k7yA:
4.7		 5bs8A-1k7yA:
24.13
5bs8C-1k7yA:
24.13
5bs8D-1k7yA:
19.72
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.
1msk COBALAMIN-DEPENDENT
METHIONINE SYNTHASE

(Escherichia
coli) 		PF02965
(Met_synt_B12) 		4 ALA A 909
ASP A1010
THR A1146
GLU A1147
 None
 0.91A 5bs8A-1mskA:
0.0
5bs8C-1mskA:
undetectable
5bs8D-1mskA:
undetectable		 5bs8A-1mskA:
21.10
5bs8C-1mskA:
21.10
5bs8D-1mskA:
22.16
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.
1nne DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 ALA A 531
ARG A 363
GLY A 367
GLU A 368
 None
 0.91A 5bs8A-1nneA:
undetectable
5bs8C-1nneA:
undetectable
5bs8D-1nneA:
undetectable		 5bs8A-1nneA:
21.95
5bs8C-1nneA:
21.95
5bs8D-1nneA:
17.00
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		4 ALA A 137
ASP A  63
ARG A  41
GLY A 103
 None
 0.91A 5bs8A-1ocmA:
undetectable
5bs8C-1ocmA:
undetectable
5bs8D-1ocmA:
undetectable		 5bs8A-1ocmA:
24.80
5bs8C-1ocmA:
24.80
5bs8D-1ocmA:
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.
1pjq SIROHEME SYNTHASE

(Salmonella
enterica) 		PF00590
(TP_methylase)
PF10414
(CysG_dimeriser)
PF13241
(NAD_binding_7)
PF14824
(Sirohm_synth_M) 		4 ALA A 332
ARG A 309
GLY A 310
GLU A 312
 ACT  A 505 (-3.0A)
None
None
None
 0.86A 5bs8A-1pjqA:
undetectable
5bs8C-1pjqA:
undetectable
5bs8D-1pjqA:
undetectable		 5bs8A-1pjqA:
21.96
5bs8C-1pjqA:
21.96
5bs8D-1pjqA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 ALA A 285
ARG A 241
GLY A 280
GLU A 276
 None
 0.00A 5bs8A-1q5aA:
undetectable
5bs8C-1q5aA:
undetectable
5bs8D-1q5aA:
undetectable		 5bs8A-1q5aA:
22.21
5bs8C-1q5aA:
22.21
5bs8D-1q5aA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s6i CALCIUM-DEPENDENT
PROTEIN KINASE SK5

(Glycine max) 		PF13499
(EF-hand_7) 		4 ALA A 165
ASP A  92
GLY A 136
GLU A 137
 None
None
None
CA  A 192 (-2.5A)
 0.77A 5bs8A-1s6iA:
undetectable
5bs8C-1s6iA:
undetectable
5bs8D-1s6iA:
undetectable		 5bs8A-1s6iA:
15.19
5bs8C-1s6iA:
15.19
5bs8D-1s6iA:
21.15
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.
1sj8 TALIN 1

(Mus musculus) 		PF09141
(Talin_middle) 		4 ALA A 770
ARG A 741
GLY A 740
GLU A 738
 None
 0.84A 5bs8A-1sj8A:
undetectable
5bs8C-1sj8A:
undetectable
5bs8D-1sj8A:
undetectable		 5bs8A-1sj8A:
20.12
5bs8C-1sj8A:
20.12
5bs8D-1sj8A:
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.
1sxd GA REPEAT BINDING
PROTEIN, ALPHA

(Mus musculus) 		PF02198
(SAM_PNT) 		4 ALA A 253
ARG A 220
GLY A 219
GLU A 221
 None
 0.82A 5bs8A-1sxdA:
undetectable
5bs8C-1sxdA:
undetectable
5bs8D-1sxdA:
undetectable		 5bs8A-1sxdA:
9.72
5bs8C-1sxdA:
9.72
5bs8D-1sxdA:
17.92
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.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		4 ALA A  49
ARG A  67
GLY A  70
THR A  74
 None
None
FAD  A 488 (-2.8A)
None
 0.91A 5bs8A-1tdkA:
undetectable
5bs8C-1tdkA:
undetectable
5bs8D-1tdkA:
undetectable		 5bs8A-1tdkA:
23.45
5bs8C-1tdkA:
23.45
5bs8D-1tdkA:
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.
1vdc NADPH DEPENDENT
THIOREDOXIN
REDUCTASE

(Arabidopsis
thaliana) 		PF07992
(Pyr_redox_2) 		4 ARG A  69
GLY A  40
THR A  81
GLU A  35
 None
 0.67A 5bs8A-1vdcA:
undetectable
5bs8C-1vdcA:
undetectable
5bs8D-1vdcA:
undetectable		 5bs8A-1vdcA:
20.90
5bs8C-1vdcA:
20.90
5bs8D-1vdcA:
22.16
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ALA A 168
ASP A 210
ARG A 207
GLY A 161
 None
 0.83A 5bs8A-1wn1A:
undetectable
5bs8C-1wn1A:
undetectable
5bs8D-1wn1A:
undetectable		 5bs8A-1wn1A:
24.71
5bs8C-1wn1A:
24.71
5bs8D-1wn1A:
22.99
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ALA A 536
ASP A 520
ARG A 437
GLY A 354
 None
 0.89A 5bs8A-1x87A:
1.6
5bs8C-1x87A:
1.5
5bs8D-1x87A:
undetectable		 5bs8A-1x87A:
21.80
5bs8C-1x87A:
21.80
5bs8D-1x87A:
17.47
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.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ALA A  60
GLY A  54
THR A 242
GLU A  42
 None
None
K  A 413 ( 4.7A)
K  A 413 (-2.9A)
 0.92A 5bs8A-1xrcA:
1.3
5bs8C-1xrcA:
1.3
5bs8D-1xrcA:
undetectable		 5bs8A-1xrcA:
21.25
5bs8C-1xrcA:
21.25
5bs8D-1xrcA:
24.04
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.
1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE

(Escherichia
virus T4) 		PF11440
(AGT) 		4 ALA A1062
ARG A1009
GLY A1010
GLU A1012
 None
None
None
CME  A1014 (-3.8A)
 0.85A 5bs8A-1xv5A:
undetectable
5bs8C-1xv5A:
undetectable
5bs8D-1xv5A:
undetectable		 5bs8A-1xv5A:
21.61
5bs8C-1xv5A:
21.61
5bs8D-1xv5A:
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.
1y0e PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Staphylococcus
aureus) 		PF04131
(NanE) 		4 ARG A  40
GLY A 203
THR A 145
GLU A 180
 None
PO4  A 502 (-3.6A)
None
None
 0.92A 5bs8A-1y0eA:
undetectable
5bs8C-1y0eA:
undetectable
5bs8D-1y0eA:
undetectable		 5bs8A-1y0eA:
16.70
5bs8C-1y0eA:
16.70
5bs8D-1y0eA:
25.48
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.
1yvp 60-KDA SS-A/RO
RIBONUCLEOPROTEIN

(Xenopus laevis) 		PF05731
(TROVE) 		4 ASP A 523
ARG A  85
GLY A  84
GLU A  83
 None
None
C  G   8 ( 4.5A)
None
 0.87A 5bs8A-1yvpA:
undetectable
5bs8C-1yvpA:
undetectable
5bs8D-1yvpA:
2.3		 5bs8A-1yvpA:
22.43
5bs8C-1yvpA:
22.43
5bs8D-1yvpA:
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		4 ALA A  73
ASP A  91
ARG A  57
GLY A  64
 None
 0.79A 5bs8A-1zwxA:
undetectable
5bs8C-1zwxA:
undetectable
5bs8D-1zwxA:
undetectable		 5bs8A-1zwxA:
18.54
5bs8C-1zwxA:
18.54
5bs8D-1zwxA:
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.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		4 ALA A 182
ASP A 214
THR A 159
GLU A 162
 None
 0.80A 5bs8A-2aaaA:
undetectable
5bs8C-2aaaA:
undetectable
5bs8D-2aaaA:
undetectable		 5bs8A-2aaaA:
22.85
5bs8C-2aaaA:
22.85
5bs8D-2aaaA:
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.
2atv RAS-LIKE
ESTROGEN-REGULATED
GROWTH INHIBITOR

(Homo sapiens) 		PF00071
(Ras) 		4 ALA A 149
ARG A  14
GLY A  13
GLU A  94
 GDP  A 415 (-3.7A)
None
None
None
 0.88A 5bs8A-2atvA:
undetectable
5bs8C-2atvA:
undetectable
5bs8D-2atvA:
3.7		 5bs8A-2atvA:
17.43
5bs8C-2atvA:
17.43
5bs8D-2atvA:
24.06
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ALA A 537
ASP A 521
ARG A 438
GLY A 355
 None
 0.76A 5bs8A-2fknA:
1.3
5bs8C-2fknA:
undetectable
5bs8D-2fknA:
undetectable		 5bs8A-2fknA:
22.41
5bs8C-2fknA:
22.41
5bs8D-2fknA:
19.34
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.
2fvg ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		4 ALA A 243
ASP A 166
GLY A 170
THR A 193
 None
None
None
EDO  A 342 ( 4.0A)
 0.88A 5bs8A-2fvgA:
undetectable
5bs8C-2fvgA:
undetectable
5bs8D-2fvgA:
2.2		 5bs8A-2fvgA:
22.29
5bs8C-2fvgA:
22.29
5bs8D-2fvgA:
23.03
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.
2fwv HYPOTHETICAL PROTEIN
MTUBF_01000852

(Mycobacterium
tuberculosis) 		PF08768
(DUF1794) 		4 ARG A  82
ARG A  89
GLY A  79
GLU A  78
 None
 0.86A 5bs8A-2fwvA:
undetectable
5bs8C-2fwvA:
undetectable
5bs8D-2fwvA:
undetectable		 5bs8A-2fwvA:
19.28
5bs8C-2fwvA:
19.28
5bs8D-2fwvA:
25.00
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.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Ensifer
adhaerens) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ALA A 286
ARG A  22
GLY A  26
GLU A  27
 None
 0.76A 5bs8A-2glxA:
undetectable
5bs8C-2glxA:
undetectable
5bs8D-2glxA:
1.8		 5bs8A-2glxA:
24.04
5bs8C-2glxA:
24.04
5bs8D-2glxA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2htm PUTATIVE THIAMINE
BIOSYNTHESIS PROTEIN
THIS
THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Thermus
thermophilus) 		PF02597
(ThiS)
PF05690
(ThiG) 		5 ALA A  37
ASP A 184
GLY E  64
THR A  70
GLU A  98
 None
 1.48A 5bs8A-2htmA:
undetectable
5bs8C-2htmA:
undetectable
5bs8D-2htmA:
undetectable		 5bs8A-2htmA:
21.01
5bs8C-2htmA:
21.01
5bs8D-2htmA:
25.33
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.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 ALA A 729
ASP A 911
ARG A 954
GLY A 951
 None
 0.91A 5bs8A-2i1yA:
undetectable
5bs8C-2i1yA:
undetectable
5bs8D-2i1yA:
2.4		 5bs8A-2i1yA:
21.97
5bs8C-2i1yA:
21.97
5bs8D-2i1yA:
24.55
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.
2isn NYSGXRC-8828Z,
PHOSPHATASE

(Toxoplasma
gondii) 		PF00481
(PP2C) 		4 ALA A 185
ARG A 235
THR A 207
GLU A 208
 None
 0.72A 5bs8A-2isnA:
undetectable
5bs8C-2isnA:
undetectable
5bs8D-2isnA:
undetectable		 5bs8A-2isnA:
21.97
5bs8C-2isnA:
21.97
5bs8D-2isnA:
21.86
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.
2o2k METHIONINE SYNTHASE

(Homo sapiens) 		PF02965
(Met_synt_B12) 		4 ALA A 935
ASP A1043
THR A1184
GLU A1185
 None
 0.89A 5bs8A-2o2kA:
undetectable
5bs8C-2o2kA:
undetectable
5bs8D-2o2kA:
undetectable		 5bs8A-2o2kA:
21.26
5bs8C-2o2kA:
21.26
5bs8D-2o2kA:
22.06
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.
2o78 PUTATIVE HISTIDINE
AMMONIA-LYASE

(Rhodobacter
sphaeroides) 		PF00221
(Lyase_aromatic) 		4 ALA A 103
ARG A 185
GLY A 182
GLU A 181
 None
 0.89A 5bs8A-2o78A:
undetectable
5bs8C-2o78A:
undetectable
5bs8D-2o78A:
undetectable		 5bs8A-2o78A:
26.07
5bs8C-2o78A:
26.07
5bs8D-2o78A:
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 ALA A  92
ARG A  85
GLY A  84
GLU A 112
 None
None
SAM  A 300 (-3.5A)
None
 0.90A 5bs8A-2oxtA:
undetectable
5bs8C-2oxtA:
undetectable
5bs8D-2oxtA:
undetectable		 5bs8A-2oxtA:
20.28
5bs8C-2oxtA:
20.28
5bs8D-2oxtA:
22.68
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 ALA A  93
ARG A  85
GLY A  84
GLU A 112
 None
None
SAM  A 300 (-3.5A)
None
 0.86A 5bs8A-2oxtA:
undetectable
5bs8C-2oxtA:
undetectable
5bs8D-2oxtA:
undetectable		 5bs8A-2oxtA:
20.28
5bs8C-2oxtA:
20.28
5bs8D-2oxtA:
22.68
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.
2pq6 UDP-GLUCURONOSYL/UDP
-GLUCOSYLTRANSFERASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 ARG A  96
ASP A 221
ARG A 160
GLU A 164
 None
 0.89A 5bs8A-2pq6A:
undetectable
5bs8C-2pq6A:
undetectable
5bs8D-2pq6A:
undetectable		 5bs8A-2pq6A:
21.40
5bs8C-2pq6A:
21.40
5bs8D-2pq6A:
18.48
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.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE

(Agrobacterium
fabrum) 		PF06559
(DCD) 		4 ALA A  21
ARG A 170
GLY A  12
GLU A 339
 None
 0.88A 5bs8A-2r9qA:
undetectable
5bs8C-2r9qA:
undetectable
5bs8D-2r9qA:
undetectable		 5bs8A-2r9qA:
21.48
5bs8C-2r9qA:
21.48
5bs8D-2r9qA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ALA A 541
ASP A 525
ARG A 442
GLY A 359
 None
 0.80A 5bs8A-2v7gA:
undetectable
5bs8C-2v7gA:
undetectable
5bs8D-2v7gA:
undetectable		 5bs8A-2v7gA:
22.44
5bs8C-2v7gA:
22.44
5bs8D-2v7gA:
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.
2woc ADP-RIBOSYL-[DINITRO
GEN REDUCTASE]
GLYCOHYDROLASE

(Rhodospirillum
rubrum) 		PF03747
(ADP_ribosyl_GH) 		4 ALA A 255
ASP A  61
GLY A  24
GLU A  28
 None
FMT  A 402 ( 4.1A)
None
MN  A 401 (-3.1A)
 0.91A 5bs8A-2wocA:
undetectable
5bs8C-2wocA:
undetectable
5bs8D-2wocA:
undetectable		 5bs8A-2wocA:
21.33
5bs8C-2wocA:
21.33
5bs8D-2wocA:
21.68
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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		4 ALA A 170
ASP A 276
ARG A 104
GLY A 298
 None
 0.80A 5bs8A-2wu8A:
undetectable
5bs8C-2wu8A:
undetectable
5bs8D-2wu8A:
3.1		 5bs8A-2wu8A:
24.22
5bs8C-2wu8A:
24.22
5bs8D-2wu8A:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ASP A 397
ARG A 418
GLY A 419
GLU A 437
 None
 0.71A 5bs8A-2xkkA:
48.2
5bs8C-2xkkA:
48.2
5bs8D-2xkkA:
26.5		 5bs8A-2xkkA:
30.59
5bs8C-2xkkA:
30.59
5bs8D-2xkkA:
20.79
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.
2yij PHOSPHOLIPASE
A1-IIGAMMA

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 ARG A 218
GLY A 217
THR A  98
GLU A 215
 None
 0.80A 5bs8A-2yijA:
undetectable
5bs8C-2yijA:
undetectable
5bs8D-2yijA:
undetectable		 5bs8A-2yijA:
22.20
5bs8C-2yijA:
22.20
5bs8D-2yijA:
20.43
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.
2yxg DIHYDRODIPICOLINATE
SYNTHASE

(Methanocaldococcus
jannaschii) 		PF00701
(DHDPS) 		4 ALA A  84
ARG A 115
GLY A 113
GLU A 112
 None
 0.91A 5bs8A-2yxgA:
undetectable
5bs8C-2yxgA:
undetectable
5bs8D-2yxgA:
undetectable		 5bs8A-2yxgA:
22.17
5bs8C-2yxgA:
22.17
5bs8D-2yxgA:
22.68
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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		4 ALA A 263
ASP A  58
GLY A  25
GLU A  29
 None
GD3  A 502 (-3.1A)
None
GD3  A 501 (-3.0A)
 0.84A 5bs8A-2yzwA:
undetectable
5bs8C-2yzwA:
undetectable
5bs8D-2yzwA:
undetectable		 5bs8A-2yzwA:
19.88
5bs8C-2yzwA:
19.88
5bs8D-2yzwA:
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.
3ab0 ANTIBODY SCFV
FRAGMENT, LIGHT
CHAIN
BCLA PROTEIN

(Bacillus
anthracis;
Mus musculus) 		PF07686
(V-set)
no annotation 		4 ALA C  26
GLY A 157
THR A 125
GLU A 190
 None
 0.68A 5bs8A-3ab0C:
undetectable
5bs8C-3ab0C:
undetectable
5bs8D-3ab0C:
undetectable		 5bs8A-3ab0C:
13.29
5bs8C-3ab0C:
13.29
5bs8D-3ab0C:
14.23
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.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		4 ALA A 713
ARG A 707
GLY A 708
GLU A 550
 None
 0.84A 5bs8A-3bdlA:
undetectable
5bs8C-3bdlA:
undetectable
5bs8D-3bdlA:
undetectable		 5bs8A-3bdlA:
22.04
5bs8C-3bdlA:
22.04
5bs8D-3bdlA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3n DIHYDROOROTATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF01180
(DHO_dh) 		4 ALA A  14
ARG A 286
GLY A 282
GLU A 279
 ALA  A  14 ( 0.0A)
ARG  A 286 ( 0.6A)
GLY  A 282 ( 0.0A)
GLU  A 279 ( 0.5A)
 0.86A 5bs8A-3c3nA:
undetectable
5bs8C-3c3nA:
undetectable
5bs8D-3c3nA:
undetectable		 5bs8A-3c3nA:
20.95
5bs8C-3c3nA:
20.95
5bs8D-3c3nA:
21.00
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.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		4 ALA A  36
ASP A  52
GLY A  79
GLU A  78
 None
 0.78A 5bs8A-3c85A:
undetectable
5bs8C-3c85A:
undetectable
5bs8D-3c85A:
3.0		 5bs8A-3c85A:
17.52
5bs8C-3c85A:
17.52
5bs8D-3c85A:
23.64
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		4 ALA A 124
ASP A  89
ARG A  91
GLU A 113
 None
 0.78A 5bs8A-3ccfA:
undetectable
5bs8C-3ccfA:
undetectable
5bs8D-3ccfA:
undetectable		 5bs8A-3ccfA:
20.55
5bs8C-3ccfA:
20.55
5bs8D-3ccfA:
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.
3d8x THIOREDOXIN
REDUCTASE 1

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		4 ARG A  72
GLY A  43
THR A  84
GLU A  33
 None
 0.83A 5bs8A-3d8xA:
undetectable
5bs8C-3d8xA:
undetectable
5bs8D-3d8xA:
undetectable		 5bs8A-3d8xA:
23.13
5bs8C-3d8xA:
23.13
5bs8D-3d8xA:
23.60
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.
3da1 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Bacillus
halodurans) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ALA A 227
ARG A 378
GLY A 376
GLU A  85
 None
 0.75A 5bs8A-3da1A:
undetectable
5bs8C-3da1A:
undetectable
5bs8D-3da1A:
undetectable		 5bs8A-3da1A:
23.91
5bs8C-3da1A:
23.91
5bs8D-3da1A:
19.35
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.
3dm3 REPLICATION FACTOR A

(Methanocaldococcus
jannaschii) 		PF01336
(tRNA_anti-codon) 		4 ARG A  80
GLY A  82
THR A  57
GLU A  88
 None
NA  A 901 (-3.5A)
None
None
 0.91A 5bs8A-3dm3A:
undetectable
5bs8C-3dm3A:
undetectable
5bs8D-3dm3A:
undetectable		 5bs8A-3dm3A:
13.06
5bs8C-3dm3A:
13.06
5bs8D-3dm3A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		4 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.75A 5bs8A-3epmA:
undetectable
5bs8C-3epmA:
undetectable
5bs8D-3epmA:
2.1		 5bs8A-3epmA:
22.77
5bs8C-3epmA:
22.77
5bs8D-3epmA:
18.31
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.
3g2e OORC SUBUNIT OF
2-OXOGLUTARATE:ACCEP
TOR OXIDOREDUCTASE

(Campylobacter
jejuni) 		PF01558
(POR) 		4 ASP A  56
ARG A  31
GLY A  30
GLU A  29
 None
 0.85A 5bs8A-3g2eA:
undetectable
5bs8C-3g2eA:
undetectable
5bs8D-3g2eA:
undetectable		 5bs8A-3g2eA:
17.82
5bs8C-3g2eA:
17.82
5bs8D-3g2eA:
21.79
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.
3gg2 SUGAR DEHYDROGENASE,
UDP-GLUCOSE/GDP-MANN
OSE DEHYDROGENASE
FAMILY

(Porphyromonas
gingivalis) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ALA A  82
ARG A 186
GLY A 185
GLU A 215
 None
 0.86A 5bs8A-3gg2A:
undetectable
5bs8C-3gg2A:
undetectable
5bs8D-3gg2A:
undetectable		 5bs8A-3gg2A:
24.00
5bs8C-3gg2A:
24.00
5bs8D-3gg2A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gxv REPLICATIVE DNA
HELICASE

(Helicobacter
pylori) 		PF00772
(DnaB) 		4 ARG A 108
ALA A 104
GLY A  46
GLU A  50
 None
 0.91A 5bs8A-3gxvA:
undetectable
5bs8C-3gxvA:
undetectable
5bs8D-3gxvA:
undetectable		 5bs8A-3gxvA:
13.50
5bs8C-3gxvA:
13.50
5bs8D-3gxvA:
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.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ALA A 229
ASP A 342
ARG A 340
GLY A 339
GLU A 183
 None
 1.38A 5bs8A-3hriA:
undetectable
5bs8C-3hriA:
undetectable
5bs8D-3hriA:
undetectable		 5bs8A-3hriA:
21.92
5bs8C-3hriA:
21.92
5bs8D-3hriA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 ALA A  85
GLY A 161
THR A 188
GLU A 186
 None
None
U  E   1 ( 4.9A)
None
 0.92A 5bs8A-3ie1A:
undetectable
5bs8C-3ie1A:
undetectable
5bs8D-3ie1A:
undetectable		 5bs8A-3ie1A:
22.93
5bs8C-3ie1A:
22.93
5bs8D-3ie1A:
21.09
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.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		4 ALA A 391
ARG A 431
GLY A 428
GLU A 427
 None
 0.86A 5bs8A-3ihaA:
undetectable
5bs8C-3ihaA:
undetectable
5bs8D-3ihaA:
undetectable		 5bs8A-3ihaA:
23.84
5bs8C-3ihaA:
23.84
5bs8D-3ihaA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3krz NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Thermoanaerobacter
pseudethanolicus) 		PF00724
(Oxidored_FMN) 		5 ALA A 123
ASP A 114
ARG A  64
GLY A  65
GLU A  62
 None
 1.10A 5bs8A-3krzA:
undetectable
5bs8C-3krzA:
undetectable
5bs8D-3krzA:
undetectable		 5bs8A-3krzA:
22.49
5bs8C-3krzA:
22.49
5bs8D-3krzA:
21.87
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.
3ly1 PUTATIVE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Pectobacterium
atrosepticum) 		PF00155
(Aminotran_1_2) 		4 ALA A 256
ASP A 310
GLY A 332
GLU A 331
 None
 0.85A 5bs8A-3ly1A:
3.5
5bs8C-3ly1A:
3.4
5bs8D-3ly1A:
undetectable		 5bs8A-3ly1A:
22.31
5bs8C-3ly1A:
22.31
5bs8D-3ly1A:
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 ALA A 271
ASP A 236
ARG A 240
GLU A 244
 None
 0.88A 5bs8A-3m07A:
undetectable
5bs8C-3m07A:
undetectable
5bs8D-3m07A:
undetectable		 5bs8A-3m07A:
22.35
5bs8C-3m07A:
22.35
5bs8D-3m07A:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 ALA A 338
ASP A 402
GLY A 396
THR A 479
 None
 0.92A 5bs8A-3m07A:
undetectable
5bs8C-3m07A:
undetectable
5bs8D-3m07A:
undetectable		 5bs8A-3m07A:
22.35
5bs8C-3m07A:
22.35
5bs8D-3m07A:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3na0 CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME,
MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		4 ALA A 173
ASP A 297
ARG A 299
GLY A 300
 None
 0.60A 5bs8A-3na0A:
1.7
5bs8C-3na0A:
1.7
5bs8D-3na0A:
undetectable		 5bs8A-3na0A:
22.28
5bs8C-3na0A:
22.28
5bs8D-3na0A:
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.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 ASP A 653
ARG A 687
GLY A 685
GLU A 187
 None
 0.86A 5bs8A-3nzuA:
undetectable
5bs8C-3nzuA:
1.5
5bs8D-3nzuA:
undetectable		 5bs8A-3nzuA:
19.26
5bs8C-3nzuA:
19.26
5bs8D-3nzuA:
13.96
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.
3o59 DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
horikoshii) 		PF03833
(PolC_DP2) 		4 ALA X 120
ARG X 245
GLY X 246
GLU X 190
 None
 0.89A 5bs8A-3o59X:
undetectable
5bs8C-3o59X:
undetectable
5bs8D-3o59X:
undetectable		 5bs8A-3o59X:
21.19
5bs8C-3o59X:
21.19
5bs8D-3o59X:
24.61
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.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		4 ALA A 566
ASP A 609
ARG A 551
GLU A 534
 None
 0.85A 5bs8A-3ogzA:
undetectable
5bs8C-3ogzA:
undetectable
5bs8D-3ogzA:
undetectable		 5bs8A-3ogzA:
23.79
5bs8C-3ogzA:
23.79
5bs8D-3ogzA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		4 ALA A  90
ARG A  62
GLY A  60
GLU A  59
 None
 0.80A 5bs8A-3p0wA:
undetectable
5bs8C-3p0wA:
undetectable
5bs8D-3p0wA:
undetectable		 5bs8A-3p0wA:
23.40
5bs8C-3p0wA:
23.40
5bs8D-3p0wA:
21.96
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.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		4 ALA A 387
ASP A 198
ARG A 410
GLU A  68
 None
 0.85A 5bs8A-3qtgA:
undetectable
5bs8C-3qtgA:
undetectable
5bs8D-3qtgA:
undetectable		 5bs8A-3qtgA:
21.96
5bs8C-3qtgA:
21.96
5bs8D-3qtgA:
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.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 ARG A 450
ASP A 476
ARG A 472
GLY A 469
 None
 0.82A 5bs8A-3qxmA:
undetectable
5bs8C-3qxmA:
undetectable
5bs8D-3qxmA:
undetectable		 5bs8A-3qxmA:
22.01
5bs8C-3qxmA:
22.01
5bs8D-3qxmA:
25.25
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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL

(Homo sapiens) 		PF00271
(Helicase_C)
PF12513
(SUV3_C) 		4 ALA A 217
ARG A 200
THR A 336
GLU A 338
 None
 0.88A 5bs8A-3rc3A:
undetectable
5bs8C-3rc3A:
undetectable
5bs8D-3rc3A:
2.4		 5bs8A-3rc3A:
22.36
5bs8C-3rc3A:
22.36
5bs8D-3rc3A:
16.42
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.
3rxy NIF3 PROTEIN

(Sphaerobacter
thermophilus) 		no annotation 4 ALA A 167
ARG A 141
GLY A 140
GLU A 138
 None
 0.80A 5bs8A-3rxyA:
undetectable
5bs8C-3rxyA:
undetectable
5bs8D-3rxyA:
undetectable		 5bs8A-3rxyA:
20.68
5bs8C-3rxyA:
20.68
5bs8D-3rxyA:
23.73
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.
3t7v METHYLORNITHINE
SYNTHASE PYLB

(Methanosarcina
barkeri) 		PF04055
(Radical_SAM) 		4 ARG A  48
ARG A 289
THR A 238
GLU A 258
 None
 0.74A 5bs8A-3t7vA:
undetectable
5bs8C-3t7vA:
undetectable
5bs8D-3t7vA:
undetectable		 5bs8A-3t7vA:
24.86
5bs8C-3t7vA:
24.86
5bs8D-3t7vA:
23.90
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.
3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE

(Sphaerobacter
thermophilus) 		PF00583
(Acetyltransf_1) 		4 ALA A 261
GLY A 237
THR A 210
GLU A 213
 SO4  A 331 (-3.8A)
None
None
None
 0.86A 5bs8A-3tt2A:
undetectable
5bs8C-3tt2A:
undetectable
5bs8D-3tt2A:
undetectable		 5bs8A-3tt2A:
21.29
5bs8C-3tt2A:
21.29
5bs8D-3tt2A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ASP A 194
ARG A 142
GLY A 487
GLU A 145
 None
BGC  A 776 (-2.9A)
None
None
 0.87A 5bs8A-3u4aA:
undetectable
5bs8C-3u4aA:
undetectable
5bs8D-3u4aA:
2.6		 5bs8A-3u4aA:
21.82
5bs8C-3u4aA:
21.82
5bs8D-3u4aA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 4 ASP A 105
ARG A 107
GLY A 181
GLU A 180
 ACY  A 339 (-3.7A)
ACY  A 339 (-4.1A)
None
ACY  A 339 (-4.4A)
 0.88A 5bs8A-3u4gA:
undetectable
5bs8C-3u4gA:
undetectable
5bs8D-3u4gA:
undetectable		 5bs8A-3u4gA:
23.48
5bs8C-3u4gA:
23.48
5bs8D-3u4gA:
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 ARG A 294
ALA A 290
GLY A 709
THR A 435
 None
None
UE1  A 998 (-3.9A)
None
 0.78A 5bs8A-3ue1A:
undetectable
5bs8C-3ue1A:
undetectable
5bs8D-3ue1A:
undetectable		 5bs8A-3ue1A:
21.90
5bs8C-3ue1A:
21.90
5bs8D-3ue1A:
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 ALA A 344
ARG A 320
GLY A  19
GLU A 109
 None
None
NA  A1212 ( 4.6A)
None
 0.89A 5bs8A-3w5nA:
3.2
5bs8C-3w5nA:
undetectable
5bs8D-3w5nA:
undetectable		 5bs8A-3w5nA:
20.89
5bs8C-3w5nA:
20.89
5bs8D-3w5nA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		4 ALA A 192
ARG A 234
GLY A 224
GLU A 223
 None
 0.88A 5bs8A-3wqyA:
2.8
5bs8C-3wqyA:
2.8
5bs8D-3wqyA:
undetectable		 5bs8A-3wqyA:
21.70
5bs8C-3wqyA:
21.70
5bs8D-3wqyA:
15.51
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ALA A 353
ASP A  51
GLY A 149
THR A1238
 FAD  A3005 (-3.6A)
None
None
None
 0.83A 5bs8A-3zyvA:
undetectable
5bs8C-3zyvA:
undetectable
5bs8D-3zyvA:
undetectable		 5bs8A-3zyvA:
16.25
5bs8C-3zyvA:
16.25
5bs8D-3zyvA:
11.85
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ARG A 429
ALA A 431
GLY A 346
THR A  75
 FAD  A3005 ( 4.9A)
None
None
FES  A3002 ( 4.3A)
 0.85A 5bs8A-3zyvA:
undetectable
5bs8C-3zyvA:
undetectable
5bs8D-3zyvA:
undetectable		 5bs8A-3zyvA:
16.25
5bs8C-3zyvA:
16.25
5bs8D-3zyvA:
11.85
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 4 ARG A 319
GLY A 271
THR A 298
GLU A 292
 None
 0.80A 5bs8A-4a7kA:
undetectable
5bs8C-4a7kA:
undetectable
5bs8D-4a7kA:
undetectable		 5bs8A-4a7kA:
20.49
5bs8C-4a7kA:
20.49
5bs8D-4a7kA:
16.46
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.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 ALA A 905
ASP A 827
ARG A 829
THR A 924
GLU A 894
 None
 1.17A 5bs8A-4bfrA:
undetectable
5bs8C-4bfrA:
undetectable
5bs8D-4bfrA:
undetectable		 5bs8A-4bfrA:
18.11
5bs8C-4bfrA:
18.11
5bs8D-4bfrA:
15.20
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.
4ewp 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Micrococcus
luteus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ARG A  23
ALA A 315
ARG A  53
GLY A 169
 None
 0.88A 5bs8A-4ewpA:
undetectable
5bs8C-4ewpA:
undetectable
5bs8D-4ewpA:
undetectable		 5bs8A-4ewpA:
25.51
5bs8C-4ewpA:
25.51
5bs8D-4ewpA:
21.86
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.
4glt GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Methylobacillus
flagellatus) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ALA A 158
ASP A 140
ARG A 136
GLY A 133
 None
 0.88A 5bs8A-4gltA:
undetectable
5bs8C-4gltA:
undetectable
5bs8D-4gltA:
undetectable		 5bs8A-4gltA:
18.27
5bs8C-4gltA:
18.27
5bs8D-4gltA:
21.37
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.
4gu7 PUTATIVE
UNCHARACTERIZED
PROTEIN SCO7193

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		4 ALA A 165
ASP A 244
GLY A 153
GLU A 144
 None
None
HEM  A 401 (-3.4A)
None
 0.92A 5bs8A-4gu7A:
1.4
5bs8C-4gu7A:
1.5
5bs8D-4gu7A:
undetectable		 5bs8A-4gu7A:
23.19
5bs8C-4gu7A:
23.19
5bs8D-4gu7A:
26.36
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.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		5 ASP A 764
ARG A 767
GLY A 768
THR A 629
GLU A 756
 None
 1.11A 5bs8A-4kf7A:
undetectable
5bs8C-4kf7A:
undetectable
5bs8D-4kf7A:
undetectable		 5bs8A-4kf7A:
18.93
5bs8C-4kf7A:
18.93
5bs8D-4kf7A:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		4 ALA A 275
ARG A  24
GLY A  22
GLU A  21
 None
 0.86A 5bs8A-4mptA:
undetectable
5bs8C-4mptA:
undetectable
5bs8D-4mptA:
4.2		 5bs8A-4mptA:
23.50
5bs8C-4mptA:
23.50
5bs8D-4mptA:
22.37
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.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		4 ALA A 221
ASP A 148
ARG A 301
GLY A 236
 None
CA  A 401 (-3.7A)
None
None
 0.89A 5bs8A-4o6mA:
undetectable
5bs8C-4o6mA:
undetectable
5bs8D-4o6mA:
undetectable		 5bs8A-4o6mA:
20.70
5bs8C-4o6mA:
20.70
5bs8D-4o6mA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p3w FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		4 ALA A2266
ASP A2290
ARG A2288
GLU A2286
 None
 0.83A 5bs8A-4p3wA:
undetectable
5bs8C-4p3wA:
undetectable
5bs8D-4p3wA:
undetectable		 5bs8A-4p3wA:
15.51
5bs8C-4p3wA:
15.51
5bs8D-4p3wA:
23.31
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.
4q0s L-RIBOSE ISOMERASE

(Acinetobacter
sp. DL-28) 		no annotation 4 ALA A  49
ARG A 243
GLY A 242
THR A 213
 None
RB0  A 502 (-3.8A)
None
None
 0.81A 5bs8A-4q0sA:
undetectable
5bs8C-4q0sA:
undetectable
5bs8D-4q0sA:
undetectable		 5bs8A-4q0sA:
17.68
5bs8C-4q0sA:
17.68
5bs8D-4q0sA:
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.
4q2b ENDO-1,4-BETA-D-GLUC
ANASE

(Pseudomonas
putida) 		PF01270
(Glyco_hydro_8) 		5 ALA A 203
ASP A 193
ARG A 190
GLY A 358
GLU A 127
 None
None
FMT  A 405 (-3.1A)
None
None
 1.41A 5bs8A-4q2bA:
undetectable
5bs8C-4q2bA:
undetectable
5bs8D-4q2bA:
undetectable		 5bs8A-4q2bA:
21.84
5bs8C-4q2bA:
21.84
5bs8D-4q2bA:
24.57
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.
4rgz XAA-PRO
AMINOPEPTIDASE

(Thermococcus
sibiricus) 		no annotation 4 ALA A 180
ASP A 224
ARG A 221
GLY A 173
 None
 0.90A 5bs8A-4rgzA:
undetectable
5bs8C-4rgzA:
undetectable
5bs8D-4rgzA:
undetectable		 5bs8A-4rgzA:
21.59
5bs8C-4rgzA:
21.59
5bs8D-4rgzA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ALA A 384
ASP A  95
GLY A  91
GLU A  89
 None
 0.90A 5bs8A-4rvwA:
undetectable
5bs8C-4rvwA:
undetectable
5bs8D-4rvwA:
undetectable		 5bs8A-4rvwA:
21.56
5bs8C-4rvwA:
21.56
5bs8D-4rvwA:
16.64
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.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		4 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.83A 5bs8A-4up3A:
undetectable
5bs8C-4up3A:
undetectable
5bs8D-4up3A:
undetectable		 5bs8A-4up3A:
21.63
5bs8C-4up3A:
21.63
5bs8D-4up3A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 ALA A 394
ASP A  49
ARG A 346
GLY A 343
 None
 0.85A 5bs8A-4y9lA:
undetectable
5bs8C-4y9lA:
undetectable
5bs8D-4y9lA:
undetectable		 5bs8A-4y9lA:
25.00
5bs8C-4y9lA:
25.00
5bs8D-4y9lA:
19.48
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ARG A 196
ASP A 304
GLY A 301
GLU A 298
 SO4  A 508 ( 4.0A)
None
None
None
 0.80A 5bs8A-4yrpA:
undetectable
5bs8C-4yrpA:
undetectable
5bs8D-4yrpA:
undetectable		 5bs8A-4yrpA:
22.02
5bs8C-4yrpA:
22.02
5bs8D-4yrpA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ARG A1106
GLY A1105
THR A1009
GLU A1047
 None
None
CL  A1202 ( 4.4A)
None
 0.91A 5bs8A-4zdnA:
undetectable
5bs8C-4zdnA:
undetectable
5bs8D-4zdnA:
undetectable		 5bs8A-4zdnA:
22.69
5bs8C-4zdnA:
22.69
5bs8D-4zdnA:
17.34