SIMILAR PATTERNS OF AMINO ACIDS FOR 3BJW_E_SVRE503

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.
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
 1.26A 3bjwE-1aorA:
0.0		 3bjwE-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 3bjwE-1b25A:
0.0		 3bjwE-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.
1brw PROTEIN (PYRIMIDINE
NUCLEOSIDE
PHOSPHORYLASE)

(Geobacillus
stearothermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 VAL A  94
LEU A  95
GLY A  96
ILE A 148
THR A 120
 None
None
None
None
PO4  A2001 ( 3.4A)
 1.35A 3bjwE-1brwA:
0.0		 3bjwE-1brwA:
14.11
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.
1drk D-RIBOSE-BINDING
PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		5 VAL A   7
LEU A   6
ILE A  60
SER A  99
THR A  87
 None
 1.26A 3bjwE-1drkA:
undetectable		 3bjwE-1drkA:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.23A 3bjwE-1escA:
0.0		 3bjwE-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
 1.23A 3bjwE-1gq7A:
undetectable		 3bjwE-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
 1.14A 3bjwE-1h3jA:
undetectable		 3bjwE-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.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 LEU A 216
GLY A 229
ILE A 414
LYS A 452
PRO A 455
 None
 1.37A 3bjwE-1ig8A:
undetectable		 3bjwE-1ig8A:
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.
1ken INFLUENZA VIRUS
INFECTIVITY
NEUTRALIZING
ANTIBODY (HEAVY
CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 118
LEU H  11
PRO H   9
SER H   7
THR H 114
 None
 1.34A 3bjwE-1kenH:
undetectable		 3bjwE-1kenH:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kp0 CREATINE
AMIDINOHYDROLASE

(Actinobacillus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 LEU A 288
GLY A 287
ILE A 300
PRO A 293
THR A 385
 None
 1.35A 3bjwE-1kp0A:
undetectable		 3bjwE-1kp0A:
11.40
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.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)

(Oryctolagus
cuniculus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 VAL A  57
LEU A  56
GLY A 109
ILE A 132
LYS A  15
 None
 1.18A 3bjwE-1lxtA:
undetectable		 3bjwE-1lxtA:
9.65
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.
1mi5 TCR ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		5 VAL D 150
ILE D 118
LYS D 174
SER D 175
THR D 164
 None
 1.35A 3bjwE-1mi5D:
undetectable		 3bjwE-1mi5D:
19.37
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.
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 3bjwE-1n11A:
undetectable		 3bjwE-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
 1.23A 3bjwE-1n21A:
undetectable		 3bjwE-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.
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
 1.19A 3bjwE-1qwgA:
undetectable		 3bjwE-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.
1s5l PHOTOSYSTEM II
MANGANESE-STABILIZIN
G POLYPEPTIDE

(Thermosynechococcus
elongatus) 		PF01716
(MSP) 		5 VAL O  66
LEU O  51
SER O 221
PRO O 117
THR O 107
 None
 1.32A 3bjwE-1s5lO:
undetectable		 3bjwE-1s5lO:
16.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s8h PHOSPHOLIPASE A2
HOMOLOG

(Agkistrodon
contortrix) 		PF00068
(Phospholip_A2_1) 		5 LEU A   5
GLY A   6
LYS A  16
SER A  21
LYS A 115
 None
 1.07A 3bjwE-1s8hA:
20.5		 3bjwE-1s8hA:
62.30
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.
1vjo ALANINE--GLYOXYLATE
AMINOTRANSFERASE

(Nostoc sp. PCC
7120) 		PF00266
(Aminotran_5) 		5 VAL A 154
LEU A 153
GLY A 103
SER A 127
PRO A 129
 None
 1.21A 3bjwE-1vjoA:
undetectable		 3bjwE-1vjoA:
16.43
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.
1wpw 3-ISOPROPYLMALATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		5 VAL A  17
GLY A  71
PRO A 254
PRO A 241
SER A 242
 None
 1.35A 3bjwE-1wpwA:
undetectable		 3bjwE-1wpwA:
14.62
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.
1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1

(Homo sapiens) 		PF00619
(CARD)
PF00931
(NB-ARC) 		5 VAL A 162
LEU A 163
GLY A 159
SER A 320
PRO A 321
 ADP  A 900 (-3.8A)
None
ADP  A 900 (-3.2A)
None
ADP  A 900 (-4.0A)
 1.13A 3bjwE-1z6tA:
undetectable		 3bjwE-1z6tA:
14.34
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.
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 VAL A 134
GLY A 136
ILE A 138
SER A 146
SER A 148
 None
ANP  A 461 (-3.6A)
None
ANP  A 461 (-2.7A)
A2G  A 459 (-3.3A)
 1.30A 3bjwE-2a2dA:
undetectable		 3bjwE-2a2dA:
15.06
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.
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
 1.25A 3bjwE-2ahwA:
undetectable		 3bjwE-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.
2c1z UDP-GLUCOSE
FLAVONOID 3-O
GLYCOSYLTRANSFERASE

(Vitis vinifera) 		PF00201
(UDPGT) 		5 VAL A 210
LEU A 211
GLY A 208
ILE A 153
SER A 201
 None
 1.01A 3bjwE-2c1zA:
undetectable		 3bjwE-2c1zA:
11.73
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.
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
 1.27A 3bjwE-2ex3B:
undetectable		 3bjwE-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
 1.36A 3bjwE-2fhpA:
undetectable		 3bjwE-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.
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
 1.19A 3bjwE-2g7uA:
undetectable		 3bjwE-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.
2h30 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA/MSRB

(Neisseria
gonorrhoeae) 		PF08534
(Redoxin) 		5 VAL A 152
GLY A 150
PRO A  35
SER A  39
THR A  37
 None
 1.37A 3bjwE-2h30A:
undetectable		 3bjwE-2h30A:
16.56
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.
2hxs RAS-RELATED PROTEIN
RAB-28

(Homo sapiens) 		PF00071
(Ras) 		5 VAL A  17
LEU A  18
GLY A  19
SER A 100
LYS A 143
 None
 1.36A 3bjwE-2hxsA:
undetectable		 3bjwE-2hxsA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i88 COLICIN-E1

(Escherichia
coli) 		PF01024
(Colicin) 		5 VAL A 479
LEU A 482
ILE A 451
PRO A 462
THR A 466
 None
 1.23A 3bjwE-2i88A:
undetectable		 3bjwE-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.
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
 1.30A 3bjwE-2ke5A:
undetectable		 3bjwE-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.
2kep GENERAL SECRETION
PATHWAY PROTEIN G

(Pseudomonas
aeruginosa) 		PF08334
(T2SSG) 		5 VAL A  82
LEU A  81
GLY A  98
ILE A  57
SER A 127
 None
 1.32A 3bjwE-2kepA:
undetectable		 3bjwE-2kepA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.30A 3bjwE-2l74A:
undetectable		 3bjwE-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.
2o20 CATABOLITE CONTROL
PROTEIN A

(Lactococcus
lactis) 		PF00532
(Peripla_BP_1) 		5 VAL A 124
ILE A 134
SER A 129
THR A 150
LYS A 191
 None
 1.32A 3bjwE-2o20A:
undetectable		 3bjwE-2o20A:
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.
2odx CYTOCHROME C OXIDASE
POLYPEPTIDE IV

(Saccharomyces
cerevisiae) 		PF01215
(COX5B) 		5 LEU A 124
ILE A  98
PRO A 115
SER A 114
THR A 112
 None
 1.27A 3bjwE-2odxA:
undetectable		 3bjwE-2odxA:
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.
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
 1.15A 3bjwE-2qf7A:
undetectable		 3bjwE-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) 		6 GLY A   6
ILE A  10
LYS A  16
SER A  17
SER A  21
LYS A 115
 None
 1.00A 3bjwE-2qheA:
23.7		 3bjwE-2qheA:
100.00
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) 		9 VAL A   2
LEU A   5
GLY A   6
ILE A  10
LYS A  16
SER A  17
PRO A  20
SER A  21
THR A  23
 None
 0.77A 3bjwE-2qheA:
23.7		 3bjwE-2qheA:
100.00
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) 		9 VAL A   2
LEU A   5
GLY A   6
LYS A  16
SER A  17
PRO A  18
PRO A  20
SER A  21
THR A  23
 None
 0.80A 3bjwE-2qheA:
23.7		 3bjwE-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.
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
 1.12A 3bjwE-2xciA:
undetectable		 3bjwE-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
 1.24A 3bjwE-2xsgA:
undetectable		 3bjwE-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
 1.15A 3bjwE-2z51A:
undetectable		 3bjwE-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.
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
 1.12A 3bjwE-3c2uA:
undetectable		 3bjwE-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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 VAL A 235
LEU A 178
ILE A 369
PRO A  55
THR A  57
 KCX  A 147 ( 4.9A)
KCX  A 147 ( 4.5A)
None
None
None
 1.37A 3bjwE-3dc8A:
undetectable		 3bjwE-3dc8A:
13.77
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
 0.70A 3bjwE-3dihA:
22.5		 3bjwE-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.
3ffs INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		5 VAL A 272
LEU A  45
ILE A  68
SER A  40
THR A  33
 None
 1.36A 3bjwE-3ffsA:
undetectable		 3bjwE-3ffsA:
16.04
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.
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
 1.14A 3bjwE-3h2zA:
undetectable		 3bjwE-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
 1.22A 3bjwE-3iwaA:
undetectable		 3bjwE-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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 VAL W  58
LEU W  47
SER W 189
PRO W 188
SER W 331
 None
 1.36A 3bjwE-3iylW:
undetectable		 3bjwE-3iylW:
6.15
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.
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
 1.33A 3bjwE-3jcmB:
undetectable		 3bjwE-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.
3ksr PUTATIVE SERINE
HYDROLASE

(Xanthomonas
campestris) 		PF00326
(Peptidase_S9) 		5 VAL A  51
LEU A  53
GLY A  54
PRO A  28
SER A 101
 None
 1.22A 3bjwE-3ksrA:
0.9		 3bjwE-3ksrA:
18.79
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.
3kuq RHO
GTPASE-ACTIVATING
PROTEIN 7

(Homo sapiens) 		PF00620
(RhoGAP) 		5 VAL A1078
ILE A1095
SER A1094
PRO A1092
THR A1087
 None
 1.30A 3bjwE-3kuqA:
undetectable		 3bjwE-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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 GLY A 304
ILE A 302
PRO A  75
PRO A  68
THR A  76
 None
 1.35A 3bjwE-3l0zA:
undetectable		 3bjwE-3l0zA:
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		5 LEU B 714
ILE B 274
PRO B 238
SER B 217
THR B 695
 None
None
OCA  B   1 (-4.0A)
OCA  B   1 (-2.6A)
None
 1.36A 3bjwE-3l91B:
2.6		 3bjwE-3l91B:
11.19
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.
3lad DIHYDROLIPOAMIDE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 206
LEU A 183
GLY A 184
ILE A 186
LYS A 153
 None
 1.34A 3bjwE-3ladA:
undetectable		 3bjwE-3ladA:
10.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdy BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-1B

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF08515
(TGF_beta_GS) 		5 VAL A 309
LEU A 312
GLY A 311
ILE A 258
THR A 317
 None
 1.36A 3bjwE-3mdyA:
undetectable		 3bjwE-3mdyA:
14.24
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 5 VAL A 115
LEU A 116
GLY A 113
ILE A 125
PRO A 107
 None
None
None
None
FAD  A 601 (-3.8A)
 1.33A 3bjwE-3nlcA:
undetectable		 3bjwE-3nlcA:
10.31
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.
3o2x COLLAGENASE 3

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 LEU A1230
GLY A1225
LYS A1143
SER A1146
THR A1149
 None
 1.34A 3bjwE-3o2xA:
undetectable		 3bjwE-3o2xA:
17.79
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.
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
 1.23A 3bjwE-3o8oA:
undetectable		 3bjwE-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.
3qll CITRATE LYASE

(Yersinia pestis) 		PF03328
(HpcH_HpaI) 		5 VAL A 131
LEU A 134
GLY A 133
ILE A 140
SER A 139
 None
 1.35A 3bjwE-3qllA:
undetectable		 3bjwE-3qllA:
14.33
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.
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
 0.97A 3bjwE-3r6oA:
undetectable		 3bjwE-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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 VAL A 162
LEU A 163
GLY A 159
SER A 320
PRO A 321
 ADP  A1250 (-4.2A)
None
ADP  A1250 (-3.0A)
None
ADP  A1250 (-4.5A)
 1.32A 3bjwE-3sfzA:
undetectable		 3bjwE-3sfzA:
8.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 3bjwE-3tl3A:
undetectable		 3bjwE-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.
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
 1.04A 3bjwE-3wbxA:
undetectable		 3bjwE-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
 1.27A 3bjwE-3wv4A:
undetectable		 3bjwE-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
 1.23A 3bjwE-3wvnA:
undetectable		 3bjwE-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.
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
 0.94A 3bjwE-4by6A:
undetectable		 3bjwE-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)
 1.19A 3bjwE-4cjxA:
0.9		 3bjwE-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.
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
 1.10A 3bjwE-4dshA:
undetectable		 3bjwE-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.
4eyo EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 VAL A 148
LEU A 149
GLY A 146
ILE A 142
PRO A 139
 None
None
None
None
HC4  A 401 (-4.0A)
 1.35A 3bjwE-4eyoA:
undetectable		 3bjwE-4eyoA:
14.09
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.
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
 1.31A 3bjwE-4f92B:
undetectable		 3bjwE-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
 1.35A 3bjwE-4h2dA:
undetectable		 3bjwE-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.
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
 1.35A 3bjwE-4lihA:
undetectable		 3bjwE-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
 1.18A 3bjwE-4mo9A:
undetectable		 3bjwE-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.
4qrj PUTATIVE
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
uniformis) 		PF10282
(Lactonase) 		5 GLY A  35
ILE A  45
PRO A  68
PRO A  66
SER A  84
 None
None
None
PEG  A 402 (-4.1A)
PEG  A 402 (-3.5A)
 1.30A 3bjwE-4qrjA:
undetectable		 3bjwE-4qrjA:
19.24
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.
4rv0 NUCLEAR PROTEIN
LOCALIZATION PROTEIN
4 HOMOLOG

(Drosophila
melanogaster) 		PF11543
(UN_NPL4) 		5 LEU B  62
GLY B  64
ILE B   6
LYS B   5
PRO B  23
 None
 1.37A 3bjwE-4rv0B:
undetectable		 3bjwE-4rv0B:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 VAL A 239
LEU A 182
ILE A 373
PRO A  60
THR A  62
 None
KCX  A 151 ( 4.4A)
None
None
None
 1.37A 3bjwE-4tqtA:
undetectable		 3bjwE-4tqtA:
12.71
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
 0.88A 3bjwE-4wtbA:
21.2		 3bjwE-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
 1.29A 3bjwE-4xcgB:
undetectable		 3bjwE-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.
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
 1.32A 3bjwE-4zg5D:
undetectable		 3bjwE-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.
5aby EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-3

(Caenorhabditis
elegans) 		PF01652
(IF4E) 		5 VAL A 180
LEU A 181
GLY A 178
ILE A 213
THR A 165
 None
 1.31A 3bjwE-5abyA:
undetectable		 3bjwE-5abyA:
16.49
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.
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
 1.30A 3bjwE-5bswA:
undetectable		 3bjwE-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.
5e02 FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		5 LEU A 314
PRO A 231
SER A 230
THR A 270
LYS A 239
 None
None
None
None
ADP  A1201 ( 4.9A)
 1.35A 3bjwE-5e02A:
undetectable		 3bjwE-5e02A:
7.16
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 150
GLY A 149
ILE A 176
PRO A 220
PRO A 216
 None
 1.33A 3bjwE-5gmsA:
undetectable		 3bjwE-5gmsA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i2x ADRENOCORTICAL
DYSPLASIA PROTEIN
HOMOLOG

(Homo sapiens) 		PF10341
(TPP1) 		5 VAL A 205
LEU A 203
GLY A 187
PRO A 109
SER A 110
 None
 1.34A 3bjwE-5i2xA:
undetectable		 3bjwE-5i2xA:
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 310
GLY A 309
ILE A 233
PRO A 231
SER A 201
 None
 1.28A 3bjwE-5iq0A:
0.5		 3bjwE-5iq0A:
16.56
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.
5lkm DNA REPAIR PROTEIN
RADA

(Streptococcus
pneumoniae) 		PF13481
(AAA_25)
PF13541
(ChlI) 		5 VAL A 193
LEU A 197
SER A 171
SER A 122
THR A 150
 None
 1.34A 3bjwE-5lkmA:
undetectable		 3bjwE-5lkmA:
12.32
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.
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
 1.09A 3bjwE-5lu4A:
undetectable		 3bjwE-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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		5 LEU A 474
GLY A 510
ILE A 542
SER A 572
PRO A 516
 None
 1.34A 3bjwE-5m60A:
undetectable		 3bjwE-5m60A:
9.73
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.
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)
 1.27A 3bjwE-5o8rA:
undetectable		 3bjwE-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
 0.89A 3bjwE-5oreA:
undetectable		 3bjwE-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.
5szm PCDHGA8 OR
PROTOCADHERIN GAMMA
A8

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 LEU A 299
ILE A 290
LYS A 303
SER A 302
PRO A 216
 None
 1.37A 3bjwE-5szmA:
undetectable		 3bjwE-5szmA:
14.40
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		5 VAL A 334
LEU A 335
SER A 105
PRO A 325
SER A 108
 None
 1.34A 3bjwE-5tr1A:
undetectable		 3bjwE-5tr1A:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.28A 3bjwE-5vgmA:
undetectable		 3bjwE-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.
5w1e PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		no annotation 5 VAL A  73
GLY A  34
PRO A 369
SER A 371
THR A 373
 None
 1.34A 3bjwE-5w1eA:
undetectable		 3bjwE-5w1eA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.13A 3bjwE-5x6sA:
undetectable		 3bjwE-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
 1.36A 3bjwE-5xlyB:
undetectable		 3bjwE-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.
5z6v ABC-TYPE
UNCHARACTERIZED
TRANSPORT SYSTEM
PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Rhodothermus
marinus) 		no annotation 5 VAL A 159
LEU A 157
ILE A  37
LYS A  38
THR A 170
 None
 1.34A 3bjwE-5z6vA:
undetectable		 3bjwE-5z6vA:
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.
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
 1.30A 3bjwE-6c62A:
undetectable		 3bjwE-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.
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
 0.64A 3bjwE-6ce2A:
20.7		 3bjwE-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
 1.28A 3bjwE-6cmzA:
undetectable		 3bjwE-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.
1c4x PROTEIN
(2-HYDROXY-6-OXO-6-P
HENYLHEXA-2,4-DIENOA
TE HYDROLASE)

(Rhodococcus
jostii) 		PF12697
(Abhydrolase_6) 		4 SER A  28
PRO A  29
PHE A  59
PRO A  26
 None
 1.13A 3bjwG-1c4xA:
0.0		 3bjwG-1c4xA:
18.45
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.
2dt8 DEGV FAMILY PROTEIN

(Thermus
thermophilus) 		PF02645
(DegV) 		4 SER A  65
PRO A  66
PHE A  69
PRO A  64
 None
 1.49A 3bjwG-2dt8A:
0.0		 3bjwG-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.
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 3bjwG-2i5iA:
0.0		 3bjwG-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.
3kmu INTEGRIN-LINKED
KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 SER A 259
PRO A 261
PHE A 190
PRO A 263
 None
 1.17A 3bjwG-3kmuA:
0.0		 3bjwG-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
 1.49A 3bjwG-3kt4A:
0.0		 3bjwG-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
 1.47A 3bjwG-3lkwA:
0.0		 3bjwG-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
 1.48A 3bjwG-3pwxA:
1.8		 3bjwG-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
 1.34A 3bjwG-3u78A:
0.0		 3bjwG-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.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 SER A 114
PRO A 115
PHE A 117
PRO A 112
 None
 1.43A 3bjwG-4tnbA:
0.0		 3bjwG-4tnbA:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhz PROTOCADHERIN-15

(Homo sapiens) 		PF00028
(Cadherin) 		4 SER A 795
PRO A 796
PHE A 878
PRO A 886
 None
 1.32A 3bjwG-4xhzA:
undetectable		 3bjwG-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.
5ul4 OXSB PROTEIN

(Bacillus
megaterium) 		PF02310
(B12-binding) 		4 SER A 223
PRO A 224
PHE A 227
PRO A 220
 None
 1.39A 3bjwG-5ul4A:
undetectable		 3bjwG-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
 1.35A 3bjwG-6b4jB:
undetectable		 3bjwG-6b4jB:
16.39