SIMILAR PATTERNS OF AMINO ACIDS FOR 3BJW_B_SVRB501

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.
2dt8 DEGV FAMILY PROTEIN

(Thermus
thermophilus) 		PF02645
(DegV) 		4 SER A  65
PRO A  66
PHE A  69
PRO A  64
 None
 1.47A 3bjwA-2dt8A:
0.0		 3bjwA-2dt8A:
14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e9y CARBAMATE KINASE

(Aeropyrum
pernix) 		PF00696
(AA_kinase) 		4 SER A 125
PRO A 124
PHE A 126
PRO A 168
 None
 1.48A 3bjwA-2e9yA:
0.0		 3bjwA-2e9yA:
15.61
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.
2i5i UPF0249 PROTEIN
EF_3048

(Enterococcus
faecalis) 		PF04794
(YdjC) 		4 SER A  41
PRO A  42
PHE A  44
PRO A  39
 None
 1.34A 3bjwA-2i5iA:
0.0		 3bjwA-2i5iA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k3n PHD FINGER PROTEIN 8

(Homo sapiens) 		PF02373
(JmjC) 		4 SER A 139
PRO A 140
PHE A 142
PRO A 138
 None
 1.48A 3bjwA-3k3nA:
0.0		 3bjwA-3k3nA:
18.04
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.
3kmu INTEGRIN-LINKED
KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 SER A 259
PRO A 261
PHE A 190
PRO A 263
 None
 1.18A 3bjwA-3kmuA:
0.0		 3bjwA-3kmuA:
15.53
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 SER A 194
PRO A 193
PHE A 226
PRO A 200
 None
 1.48A 3bjwA-3kt4A:
undetectable		 3bjwA-3kt4A:
11.04
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.
3lkw FUSION PROTEIN OF
NONSTRUCTURAL
PROTEIN 2B AND
NONSTRUCTURAL
PROTEIN 3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		4 SER A  69
PRO A  70
PHE A  91
PRO A  68
 None
 1.45A 3bjwA-3lkwA:
0.0		 3bjwA-3lkwA:
18.03
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.
3pwx PUTATIVE FLAGELLAR
HOOK-ASSOCIATED
PROTEIN

(Vibrio
parahaemolyticus) 		PF00669
(Flagellin_N) 		4 SER A 205
PRO A 206
PHE A 208
PRO A 204
 None
 1.46A 3bjwA-3pwxA:
1.9		 3bjwA-3pwxA:
21.99
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.
3u78 LYSINE-SPECIFIC
DEMETHYLASE 7

(Homo sapiens) 		PF02373
(JmjC) 		4 SER A 174
PRO A 175
PHE A 177
PRO A 173
 None
 1.31A 3bjwA-3u78A:
0.0		 3bjwA-3u78A:
15.09
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.
4xhz PROTOCADHERIN-15

(Homo sapiens) 		PF00028
(Cadherin) 		4 SER A 795
PRO A 796
PHE A 878
PRO A 886
 None
 1.32A 3bjwA-4xhzA:
undetectable		 3bjwA-4xhzA:
15.32
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 SER A 143
PRO A 144
PHE A 147
PRO A 140
 None
 1.40A 3bjwA-5chcA:
undetectable		 3bjwA-5chcA:
8.97
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.
5tkw TYPE II SECRETION
SYSTEM PROTEIN L

(Klebsiella
pneumoniae) 		PF05134
(T2SSL) 		4 SER A  47
PRO A  48
PHE A  49
PRO A  50
 None
 1.15A 3bjwA-5tkwA:
undetectable		 3bjwA-5tkwA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ul4 OXSB PROTEIN

(Bacillus
megaterium) 		PF02310
(B12-binding) 		4 SER A 223
PRO A 224
PHE A 227
PRO A 220
 None
 1.38A 3bjwA-5ul4A:
undetectable		 3bjwA-5ul4A:
10.01
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.
6b4j NUCLEOPORIN GLE1

(Homo sapiens) 		no annotation 4 SER B 531
PRO B 533
PHE B 534
PRO B 529
 None
 1.36A 3bjwA-6b4jB:
undetectable		 3bjwA-6b4jB:
16.39
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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 VAL A 171
LEU A 170
LYS A  82
SER A  83
PRO A  84
 None
 1.23A 3bjwB-1aorA:
undetectable		 3bjwB-1aorA:
12.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 VAL A 169
LEU A 168
LYS A  81
SER A  82
PRO A  83
 None
 1.14A 3bjwB-1b25A:
0.0		 3bjwB-1b25A:
11.72
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.
1esc ESTERASE

(Streptomyces
scabiei) 		PF13472
(Lipase_GDSL_2) 		5 VAL A 243
LEU A 245
GLY A 185
SER A  14
THR A  16
 None
 1.17A 3bjwB-1escA:
0.0		 3bjwB-1escA:
17.29
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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 VAL A 125
LEU A 128
GLY A 167
ILE A 168
SER A 147
 None
 1.22A 3bjwB-1gq7A:
undetectable		 3bjwB-1gq7A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h3j PEROXIDASE

(Coprinopsis
cinerea) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 LEU A 227
ILE A 195
PRO A 223
PRO A 237
THR A 221
 None
 1.19A 3bjwB-1h3jA:
undetectable		 3bjwB-1h3jA:
16.09
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.
1kzq MAJOR SURFACE
ANTIGEN P30

(Toxoplasma
gondii) 		PF04092
(SAG) 		5 LEU A  32
GLY A 112
ILE A 114
SER A 121
THR A  18
 None
 1.25A 3bjwB-1kzqA:
undetectable		 3bjwB-1kzqA:
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.
1n11 ANKYRIN

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		5 LEU A 622
GLY A 625
SER A 594
PRO A 595
THR A 604
 None
 1.20A 3bjwB-1n11A:
undetectable		 3bjwB-1n11A:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 492
GLY A 489
ILE A 450
PRO A 455
SER A 459
 3AG  A 900 (-4.9A)
None
None
None
None
 1.27A 3bjwB-1n21A:
0.0		 3bjwB-1n21A:
11.65
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.
1puj CONSERVED
HYPOTHETICAL PROTEIN
YLQF

(Bacillus
subtilis) 		PF01926
(MMR_HSR1) 		5 VAL A  31
LEU A  30
GLY A 127
ILE A 175
LYS A  22
 None
 1.02A 3bjwB-1pujA:
undetectable		 3bjwB-1pujA:
18.01
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.
1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE

(Methanocaldococcus
jannaschii) 		PF02679
(ComA) 		5 LEU A  23
GLY A  22
ILE A  52
SER A  49
PRO A  73
 None
 1.20A 3bjwB-1qwgA:
undetectable		 3bjwB-1qwgA:
16.60
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.
1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
ALPHA SUBUNIT

(Mus musculus) 		PF00400
(WD40) 		5 SER C 109
PRO C 110
SER C 127
THR C 112
LYS C 133
 None
 1.20A 3bjwB-1vyhC:
undetectable		 3bjwB-1vyhC:
14.84
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.
1zgg PUTATIVE LOW
MOLECULAR WEIGHT
PROTEIN-TYROSINE-PHO
SPHATASE YWLE

(Bacillus
subtilis) 		PF01451
(LMWPc) 		5 VAL A  32
ILE A   4
SER A  36
PRO A  15
SER A  14
 None
 1.30A 3bjwB-1zggA:
2.1		 3bjwB-1zggA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 VAL A  33
LEU A  34
GLY A  35
ILE A  40
THR A  44
 None
 1.26A 3bjwB-2ahwA:
undetectable		 3bjwB-2ahwA:
12.97
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.
2aw5 NADP-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 VAL A 466
GLY A 464
ILE A 513
LYS A 512
SER A 510
 None
 1.09A 3bjwB-2aw5A:
undetectable		 3bjwB-2aw5A:
11.99
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.
2ex3 DNA TERMINAL PROTEIN

(Bacillus virus
phi29) 		PF05435
(Phi-29_GP3) 		5 VAL B 105
LEU B 104
SER B 165
THR B  98
LYS B  90
 None
 1.20A 3bjwB-2ex3B:
undetectable		 3bjwB-2ex3B:
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.
2fhp METHYLASE, PUTATIVE

(Enterococcus
faecalis) 		PF03602
(Cons_hypoth95) 		5 GLY A  53
ILE A  80
LYS A  81
PRO A  90
THR A  87
 None
 1.31A 3bjwB-2fhpA:
undetectable		 3bjwB-2fhpA:
18.52
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.
2fji EXOCYST COMPLEX
COMPONENT SEC6

(Saccharomyces
cerevisiae) 		PF06046
(Sec6) 		5 LEU 1 603
GLY 1 599
ILE 1 510
LYS 1 509
SER 1 511
 None
 1.17A 3bjwB-2fji1:
undetectable		 3bjwB-2fji1:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g7u TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		5 VAL A  18
LEU A  19
GLY A  15
ILE A  12
THR A  51
 None
 1.12A 3bjwB-2g7uA:
undetectable		 3bjwB-2g7uA:
15.00
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.
2i88 COLICIN-E1

(Escherichia
coli) 		PF01024
(Colicin) 		5 VAL A 479
LEU A 482
ILE A 451
PRO A 462
THR A 466
 None
 1.24A 3bjwB-2i88A:
undetectable		 3bjwB-2i88A:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iir ACETATE KINASE

(Thermotoga
maritima) 		PF00871
(Acetate_kinase) 		5 VAL A  42
LEU A  41
ILE A  34
SER A  12
SER A   8
 None
 1.31A 3bjwB-2iirA:
undetectable		 3bjwB-2iirA:
12.97
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.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		5 VAL A  91
GLY A  95
ILE A 329
PRO A  29
THR A  31
 None
None
NDP  A 482 (-4.9A)
None
None
 1.14A 3bjwB-2iluA:
undetectable		 3bjwB-2iluA:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ke5 RAS-RELATED PROTEIN
RAL-B

(Homo sapiens) 		PF00071
(Ras) 		5 VAL A  17
GLY A  88
ILE A 121
LYS A 120
PRO A 122
 None
 1.19A 3bjwB-2ke5A:
undetectable		 3bjwB-2ke5A:
19.59
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.
2l74 PUTATIVE
UNCHARACTERIZED
PROTEIN PA4608

(Pseudomonas
aeruginosa) 		PF07238
(PilZ) 		5 VAL A  43
LEU A  83
GLY A  84
SER A  74
PRO A  56
 None
None
C2E  A 501 ( 3.7A)
None
None
 1.25A 3bjwB-2l74A:
undetectable		 3bjwB-2l74A:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ld4 ANAMORSIN

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 LEU A  67
GLY A  66
ILE A  47
PRO A  98
LYS A 114
 None
 1.24A 3bjwB-2ld4A:
undetectable		 3bjwB-2ld4A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A 230
LEU A 222
GLY A 223
ILE A 277
LYS A   1
 None
 1.10A 3bjwB-2qf7A:
undetectable		 3bjwB-2qf7A:
7.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhe PHOSPHOLIPASE A2

(Echis carinatus) 		PF00068
(Phospholip_A2_1) 		11 VAL A   2
LEU A   5
GLY A   6
ILE A  10
LYS A  16
SER A  17
PRO A  18
PRO A  20
SER A  21
THR A  23
LYS A 115
 None
 0.76A 3bjwB-2qheA:
24.1		 3bjwB-2qheA:
100.00
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.
2xbl PHOSPHOHEPTOSE
ISOMERASE

(Burkholderia
pseudomallei) 		PF13580
(SIS_2) 		5 VAL A 180
LEU A 181
GLY A 177
ILE A 174
SER A 168
 None
 1.27A 3bjwB-2xblA:
undetectable		 3bjwB-2xblA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE

(Aquifex
aeolicus) 		PF04413
(Glycos_transf_N) 		5 LEU A 300
GLY A 306
ILE A 285
PRO A 288
THR A 290
 None
 1.14A 3bjwB-2xciA:
0.8		 3bjwB-2xciA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		5 VAL A  81
LEU A  80
GLY A  61
ILE A  59
LYS A  58
 None
 1.15A 3bjwB-2xsgA:
undetectable		 3bjwB-2xsgA:
9.45
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.
2z51 NIFU-LIKE PROTEIN 2,
CHLOROPLAST

(Arabidopsis
thaliana) 		PF01106
(NifU) 		5 VAL A  27
GLY A  25
PRO A  49
SER A  50
THR A  52
 None
 1.18A 3bjwB-2z51A:
undetectable		 3bjwB-2z51A:
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.
3ba0 MACROPHAGE
METALLOELASTASE

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		5 LEU A 226
GLY A 221
ILE A 220
SER A 142
THR A 145
 None
 1.28A 3bjwB-3ba0A:
undetectable		 3bjwB-3ba0A:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		5 ILE A 518
SER A 373
SER A 376
THR A 417
LYS A  64
 None
 1.14A 3bjwB-3c2uA:
undetectable		 3bjwB-3c2uA:
11.47
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.
3c5w PP2A-SPECIFIC
METHYLESTERASE PME-1

(Homo sapiens) 		PF12697
(Abhydrolase_6) 		5 LEU P  90
ILE P 107
LYS P  71
SER P  72
SER P  52
 None
 1.24A 3bjwB-3c5wP:
undetectable		 3bjwB-3c5wP:
15.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dih PHOSPHOLIPASE A2
HOMOLOG, AMMODYTIN L

(Vipera
ammodytes) 		PF00068
(Phospholip_A2_1) 		6 VAL A   2
GLY A   6
LYS A  15
PRO A  17
SER A  20
LYS A 105
 None
 0.66A 3bjwB-3dihA:
22.9		 3bjwB-3dihA:
64.75
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.
3dlv SIGNAL RECOGNITION
PARTICLE 19 KDA
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 VAL B  74
ILE B  88
LYS B  86
SER B  84
SER B  82
 None
 1.27A 3bjwB-3dlvB:
undetectable		 3bjwB-3dlvB:
18.64
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.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 VAL A 258
LEU A 259
GLY A 256
ILE A 274
THR A 218
 None
 1.19A 3bjwB-3h2zA:
undetectable		 3bjwB-3h2zA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 269
GLY A 273
SER A 256
PRO A 257
SER A 122
 None
 1.09A 3bjwB-3iwaA:
undetectable		 3bjwB-3iwaA:
13.30
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.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 VAL B 453
GLY B 455
ILE B 441
SER B 179
SER B 194
 None
 1.23A 3bjwB-3jcmB:
undetectable		 3bjwB-3jcmB:
12.12
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.
3kuq RHO
GTPASE-ACTIVATING
PROTEIN 7

(Homo sapiens) 		PF00620
(RhoGAP) 		5 VAL A1078
ILE A1095
SER A1094
PRO A1092
THR A1087
 None
 1.29A 3bjwB-3kuqA:
undetectable		 3bjwB-3kuqA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lo0 INORGANIC
PYROPHOSPHATASE

(Ehrlichia
chaffeensis) 		PF00719
(Pyrophosphatase) 		5 VAL A  18
GLY A  57
ILE A  22
SER A  23
PRO A  79
 None
 1.30A 3bjwB-3lo0A:
undetectable		 3bjwB-3lo0A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 VAL A 352
LEU A 351
GLY A 350
ILE A 348
SER A 523
 None
 1.14A 3bjwB-3o8oA:
undetectable		 3bjwB-3o8oA:
9.00
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.
3oev PROTEASOME COMPONENT
Y13

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 VAL B  47
LEU B  48
GLY B  39
ILE B 163
SER B 164
 None
 1.31A 3bjwB-3oevB:
undetectable		 3bjwB-3oevB:
18.42
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 VAL C  68
LEU C  65
GLY C  86
ILE C  92
THR C 108
 None
 1.26A 3bjwB-3qgkC:
undetectable		 3bjwB-3qgkC:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE

(Mycobacteroides
abscessus) 		PF01557
(FAA_hydrolase) 		5 GLY A  83
LYS A 113
SER A 114
PRO A 115
SER A 117
 None
 1.07A 3bjwB-3r6oA:
undetectable		 3bjwB-3r6oA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ren GLYCOSYL HYDROLASE,
FAMILY 8

(Clostridium
perfringens) 		PF01270
(Glyco_hydro_8) 		5 GLY A 117
ILE A 119
SER A 120
PRO A 130
SER A 131
 None
None
None
SO4  A   2 ( 4.9A)
SO4  A   2 ( 3.9A)
 1.28A 3bjwB-3renA:
undetectable		 3bjwB-3renA:
16.81
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  80
ILE A 107
LYS A 105
SER A 133
THR A 131
 None
EDO  A 315 (-4.5A)
None
None
None
 1.22A 3bjwB-3tl2A:
undetectable		 3bjwB-3tl2A:
18.47
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.
3tl3 SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF00106
(adh_short) 		5 VAL A 117
GLY A 113
ILE A 109
SER A 146
THR A 144
 None
 1.11A 3bjwB-3tl3A:
undetectable		 3bjwB-3tl3A:
15.77
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.
3ul4 CELLULOSOME-ANCHORIN
G PROTEIN

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 VAL A  15
GLY A  13
ILE A  11
SER A  28
THR A 103
 None
 0.80A 3bjwB-3ul4A:
undetectable		 3bjwB-3ul4A:
18.06
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.
3vi1 ALKALINE
METALLOPROTEINASE

(Pseudomonas
aeruginosa) 		PF08548
(Peptidase_M10_C)
PF13583
(Reprolysin_4) 		5 LEU A 184
GLY A 179
ILE A 178
SER A 104
THR A 107
 None
 1.28A 3bjwB-3vi1A:
undetectable		 3bjwB-3vi1A:
12.99
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.
3w53 BETA-GLUCOSIDASE

(Micrococcus
antarcticus) 		PF00232
(Glyco_hydro_1) 		5 VAL A 246
LEU A 249
ILE A 177
PRO A 328
SER A 326
 None
 1.09A 3bjwB-3w53A:
undetectable		 3bjwB-3w53A:
12.40
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.
3wbx PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		5 VAL A  52
LEU A  27
GLY A  28
PRO A  34
THR A  37
 None
 1.03A 3bjwB-3wbxA:
undetectable		 3bjwB-3wbxA:
16.61
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.
3wv4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		5 VAL A 236
LEU A 233
GLY A 232
PRO A  87
THR A  92
 None
 1.29A 3bjwB-3wv4A:
undetectable		 3bjwB-3wv4A:
13.45
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.
3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		5 VAL A 236
LEU A 233
GLY A 232
PRO A  87
THR A  92
 None
 1.26A 3bjwB-3wvnA:
undetectable		 3bjwB-3wvnA:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zfv CRISPR-ASSOCIATED
ENDORIBONUCLEASE
CAS6 1

(Sulfolobus
solfataricus) 		PF10040
(CRISPR_Cas6) 		5 LEU A 263
GLY A 264
ILE A 276
LYS A 277
THR A  84
 None
 1.15A 3bjwB-3zfvA:
undetectable		 3bjwB-3zfvA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zl8 UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 138
LEU A 139
GLY A  86
ILE A 187
PRO A 158
 None
 1.26A 3bjwB-3zl8A:
undetectable		 3bjwB-3zl8A:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aco CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
A

(Saccharomyces
cerevisiae) 		PF16787
(NDC10_II) 		5 LEU A  90
ILE A 406
LYS A 410
SER A 411
PRO A 412
 None
 1.19A 3bjwB-4acoA:
undetectable		 3bjwB-4acoA:
8.06
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.
4by6 GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1
GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 2

(Saccharomyces
cerevisiae) 		PF04054
(Not1)
PF04153
(NOT2_3_5) 		5 VAL A1804
GLY A1808
ILE A1812
PRO B  59
THR B  63
 None
 0.98A 3bjwB-4by6A:
undetectable		 3bjwB-4by6A:
10.71
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.
4cjx C-1-TETRAHYDROFOLATE
SYNTHASE,
CYTOPLASMIC,
PUTATIVE

(Trypanosoma
brucei) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 VAL A 271
GLY A 273
PRO A 277
SER A 281
THR A 279
 None
9L9  A1300 (-3.4A)
9L9  A1300 (-4.1A)
None
9L9  A1300 ( 4.8A)
 1.14A 3bjwB-4cjxA:
0.9		 3bjwB-4cjxA:
18.12
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.
4dav SUGAR FERMENTATION
STIMULATION PROTEIN
HOMOLOG

(Pyrococcus
furiosus) 		PF03749
(SfsA) 		5 VAL A 180
GLY A 175
ILE A 174
LYS A 132
SER A 133
 None
 1.19A 3bjwB-4davA:
undetectable		 3bjwB-4davA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4di4 TATP(T) (TP0957)

(Treponema
pallidum) 		PF03480
(DctP) 		5 VAL B 167
LEU B 168
GLY B 169
ILE B 179
PRO B 183
 None
 1.25A 3bjwB-4di4B:
undetectable		 3bjwB-4di4B:
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.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 VAL A 297
GLY A 299
SER A 345
THR A 329
LYS A 311
 None
 1.04A 3bjwB-4dshA:
undetectable		 3bjwB-4dshA:
13.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4g METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 VAL A 304
LEU A 307
GLY A 365
ILE A 363
PRO A 385
 None
 1.15A 3bjwB-4e4gA:
undetectable		 3bjwB-4e4gA:
11.74
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 VAL B 970
LEU B 969
GLY B 985
ILE B 987
LYS B 592
 None
 1.15A 3bjwB-4f92B:
undetectable		 3bjwB-4f92B:
5.40
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.
4h2d NADPH-DEPENDENT
DIFLAVIN
OXIDOREDUCTASE 1

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		5 VAL A 153
LEU A 156
GLY A 155
PRO A 158
PRO A 160
 None
 1.30A 3bjwB-4h2dA:
undetectable		 3bjwB-4h2dA:
18.07
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.
4js7 CELLULOSE BINDING
PROTEIN

(Clavibacter
michiganensis) 		PF01357
(Pollen_allerg_1)
PF03330
(DPBB_1) 		5 VAL A 114
LEU A 125
GLY A 124
PRO A 161
SER A 160
 None
 1.22A 3bjwB-4js7A:
undetectable		 3bjwB-4js7A:
17.01
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.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 VAL A 430
LYS A 270
SER A 271
PRO A 272
SER A 305
 None
 1.31A 3bjwB-4lihA:
undetectable		 3bjwB-4lihA:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 LEU A 165
GLY A 166
ILE A  19
LYS A  32
PRO A  34
 None
 1.19A 3bjwB-4mo9A:
undetectable		 3bjwB-4mo9A:
14.73
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.
4q9c NOVEL ANTIGEN
RECEPTOR

(Ginglymostoma
cirratum) 		PF07654
(C1-set) 		5 LEU A 418
ILE A 362
SER A 358
PRO A 357
THR A 371
 None
None
None
NA  A 905 (-4.2A)
NA  A 905 (-3.6A)
 1.16A 3bjwB-4q9cA:
undetectable		 3bjwB-4q9cA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		5 LEU A2462
GLY A2463
ILE A2465
SER A2430
THR A2428
 None
 1.28A 3bjwB-4tvcA:
undetectable		 3bjwB-4tvcA:
7.03
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.
4wbj BLR1131 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF02630
(SCO1-SenC) 		5 LEU A 120
GLY A 129
ILE A 104
SER A 105
THR A  72
 None
 1.24A 3bjwB-4wbjA:
undetectable		 3bjwB-4wbjA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		5 VAL A 337
LEU A 336
GLY A 339
ILE A 343
SER A 344
 None
 1.24A 3bjwB-4wisA:
undetectable		 3bjwB-4wisA:
10.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wtb BASIC PHOSPHOLIPASE
A2 HOMOLOG
BOTHROPSTOXIN-1

(Bothrops
jararacussu) 		PF00068
(Phospholip_A2_1) 		6 LEU A   5
GLY A   6
LYS A  15
PRO A  17
SER A  20
LYS A 105
 None
 0.74A 3bjwB-4wtbA:
21.4		 3bjwB-4wtbA:
56.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xcg THERMOSOME SUBUNIT
BETA

(Sulfolobus
solfataricus) 		PF00118
(Cpn60_TCP1) 		5 VAL B 359
GLY B 374
LYS B 379
SER B 380
THR B 337
 None
 1.30A 3bjwB-4xcgB:
1.5		 3bjwB-4xcgB:
12.19
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.
4z7l CAS6B

(Methanococcus
maripaludis) 		PF17262
(DUF5328) 		5 ILE A  56
SER A  60
PRO A  61
PRO A  11
SER A   9
 None
 1.07A 3bjwB-4z7lA:
undetectable		 3bjwB-4z7lA:
19.00
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.
4zg5 5'-NUCLEOTIDASE SURE

(Brucella
abortus) 		no annotation 5 LEU D  80
GLY D  75
ILE D  73
PRO D  68
THR D   6
 None
 1.25A 3bjwB-4zg5D:
undetectable		 3bjwB-4zg5D:
14.73
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.
5a5l D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE

(Thermosynechococcus
elongatus) 		PF03320
(FBPase_glpX) 		5 VAL A 320
GLY A   6
ILE A   5
LYS A   0
THR A 323
 None
 1.31A 3bjwB-5a5lA:
1.3		 3bjwB-5a5lA:
15.97
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.
5aff SYMPORTIN 1

(Chaetomium
thermophilum) 		no annotation 5 VAL A 512
LEU A 513
ILE A 485
LYS A 483
THR A 476
 None
 1.07A 3bjwB-5affA:
undetectable		 3bjwB-5affA:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT GAMMA

(Schizosaccharomyces
pombe) 		PF00483
(NTP_transferase) 		5 LEU E 205
GLY E 317
ILE E 318
PRO E 176
SER E 175
 None
 1.21A 3bjwB-5b04E:
undetectable		 3bjwB-5b04E:
14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bsw 4-COUMARATE--COA
LIGASE 2

(Nicotiana
tabacum) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 286
ILE A 526
LYS A 525
PRO A 522
SER A 523
 None
None
4UW  A 600 (-2.7A)
None
None
 1.27A 3bjwB-5bswA:
undetectable		 3bjwB-5bswA:
11.23
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.
5d5x PUTATIVE
TRANSCRIPTION FACTOR

(Chaetomium
thermophilum) 		PF00447
(HSF_DNA-bind) 		5 VAL B  70
LEU B  72
ILE B  81
PRO B  54
SER B  55
 None
 1.30A 3bjwB-5d5xB:
undetectable		 3bjwB-5d5xB:
18.40
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.
5da8 60 KDA CHAPERONIN

(Chlorobaculum
tepidum) 		PF00118
(Cpn60_TCP1) 		5 VAL A 107
LEU A 104
GLY A 103
ILE A  99
THR A 517
 None
 1.17A 3bjwB-5da8A:
undetectable		 3bjwB-5da8A:
13.05
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.
5ie8 30S RIBOSOMAL
PROTEIN S1

(Mycobacterium
leprae) 		PF00575
(S1) 		5 VAL A 321
LEU A 320
GLY A 319
ILE A 317
THR A 302
 None
 1.27A 3bjwB-5ie8A:
undetectable		 3bjwB-5ie8A:
15.04
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 GLY A 297
ILE A 118
PRO A 115
SER A 127
THR A 113
 None
 1.30A 3bjwB-5kdxA:
undetectable		 3bjwB-5kdxA:
8.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l2e GLUTAMATE RECEPTOR
IONOTROPIC,
DELTA-2,GLUTAMATE
RECEPTOR IONOTROPIC,
DELTA-2

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 VAL A 150
LEU A 152
GLY A 180
ILE A 178
THR A 126
 None
 1.30A 3bjwB-5l2eA:
1.5		 3bjwB-5l2eA:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC

(Flaveria
trinervia) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 VAL A 256
LEU A 257
GLY A 271
SER A 263
LYS A 345
 None
 1.14A 3bjwB-5lu4A:
undetectable		 3bjwB-5lu4A:
9.11
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 VAL B   5
LEU B 233
ILE B  90
SER B  10
LYS B  12
 None
 1.10A 3bjwB-5my0B:
undetectable		 3bjwB-5my0B:
18.55
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.
5nsq AMINOPEPTIDASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00883
(Peptidase_M17) 		5 VAL A 122
LEU A 126
ILE A 153
SER A 147
THR A  52
 None
 1.13A 3bjwB-5nsqA:
undetectable		 3bjwB-5nsqA:
12.87
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.
5o8r L-LYSINE
6-MONOOXYGENASE
INVOLVED IN
DESFERRIOXAMINE
BIOSYNTHESIS

(Erwinia
amylovora) 		no annotation 5 VAL A 294
LEU A 219
ILE A 222
SER A 197
LYS A 269
 None
None
None
NAP  A 502 (-3.1A)
NAP  A 502 (-2.9A)
 1.24A 3bjwB-5o8rA:
undetectable		 3bjwB-5o8rA:
19.82
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.
5ore OCTOPINE-BINDING
PERIPLASMIC PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 5 LEU A 237
GLY A 236
PRO A  76
SER A  77
THR A  79
 None
 0.95A 3bjwB-5oreA:
undetectable		 3bjwB-5oreA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 LEU A 159
GLY A 157
ILE A 141
PRO A 151
SER A 152
 None
 1.25A 3bjwB-5u09A:
undetectable		 3bjwB-5u09A:
12.22
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.
5vgm DIHYDROOROTASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 VAL A  21
LEU A  22
GLY A  19
PRO A  44
THR A  42
 None
None
None
None
ACT  A 403 (-4.4A)
 1.23A 3bjwB-5vgmA:
undetectable		 3bjwB-5vgmA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 8

(Homo sapiens) 		PF00004
(AAA) 		5 LEU d 104
GLY d 100
LYS d 134
PRO d 136
SER d 138
 None
 1.28A 3bjwB-5vhid:
undetectable		 3bjwB-5vhid:
20.17
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.
5x6s ACETYLXYLAN ESTERASE
A

(Aspergillus
awamori) 		PF10503
(Esterase_phd) 		5 GLY A 265
ILE A 263
SER A  51
PRO A  52
THR A  55
 None
None
None
MES  A 303 ( 4.5A)
MES  A 303 (-4.6A)
 1.12A 3bjwB-5x6sA:
undetectable		 3bjwB-5x6sA:
16.54
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.
5xly CYCLIC DIGUANOSINE
MONOPHOSPHATE-BINDIN
G PROTEIN PA4608

(Pseudomonas
aeruginosa) 		PF07238
(PilZ) 		5 VAL B  43
LEU B  83
GLY B  84
SER B  74
PRO B  56
 None
None
C2E  B 202 ( 4.2A)
None
None
 1.30A 3bjwB-5xlyB:
undetectable		 3bjwB-5xlyB:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 LEU A2649
GLY A2652
SER A2621
PRO A2622
THR A2631
 None
 1.24A 3bjwB-5y4dA:
undetectable		 3bjwB-5y4dA:
9.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 VAL A  73
LEU A 167
GLY A 168
PRO A 201
THR A 199
 None
 1.28A 3bjwB-6c62A:
undetectable		 3bjwB-6c62A:
23.97
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 5 VAL A 449
GLY A 422
ILE A 453
PRO A 417
SER A 418
 None
 1.26A 3bjwB-6cczA:
undetectable		 3bjwB-6cczA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ce2 -

(-) 		no annotation 5 LEU A   5
GLY A   6
LYS A  16
PRO A  18
SER A  21
 PE4  A 201 ( 4.7A)
PE4  A 201 (-3.3A)
None
PE4  A 201 (-4.6A)
None
 0.70A 3bjwB-6ce2A:
20.6		 3bjwB-6ce2A:
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 VAL A 239
LEU A 240
GLY A 241
LYS A 244
THR A 259
 FAD  A 503 (-4.1A)
None
None
None
None
 1.24A 3bjwB-6cmzA:
undetectable		 3bjwB-6cmzA:
19.83
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.
6gsa -

(-) 		no annotation 5 LEU E  90
ILE E 406
LYS E 410
SER E 411
PRO E 412
 None
 1.19A 3bjwB-6gsaE:
undetectable		 3bjwB-6gsaE:
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.
3csq MORPHOGENESIS
PROTEIN 1

(Bacillus virus
phi29) 		no annotation 4 LYS A 287
ASN A 282
PHE A 281
TRP A 243
 None
 1.04A 3bjwF-3csqA:
0.0		 3bjwF-3csqA:
14.37