SIMILAR PATTERNS OF AMINO ACIDS FOR 1JG4_A_SAMA500_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1akp APOKEDARCIDIN

(actinomycete
ATCC 53650) 		PF00960
(Neocarzinostat) 		5 VAL A  98
GLY A 100
GLY A  60
ALA A  23
VAL A   5
 None
 1.11A 1jg4A-1akpA:
undetectable		 1jg4A-1akpA:
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.
1avb ARCELIN-1

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		5 THR A  23
VAL A  24
SER A  25
GLY A 151
VAL A  35
 None
 1.12A 1jg4A-1avbA:
undetectable		 1jg4A-1avbA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d8z HU ANTIGEN C

(Mus musculus) 		PF00076
(RRM_1) 		5 GLN A  43
GLY A  42
GLY A  48
THR A  16
LEU A  11
 None
 1.07A 1jg4A-1d8zA:
undetectable		 1jg4A-1d8zA:
17.49
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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		6 THR A  57
SER A  59
GLY A  85
ASN A  89
GLY A 135
THR A 151
 SAH  A 699 (-4.9A)
SAH  A 699 ( 3.9A)
SAH  A 699 (-3.5A)
SAH  A 699 (-4.9A)
SAH  A 699 (-3.5A)
SAH  A 699 (-3.2A)
 0.62A 1jg4A-1dl5A:
28.4		 1jg4A-1dl5A:
27.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 THR A 131
SER A 127
GLY A  79
THR A  15
VAL A  96
 None
 1.13A 1jg4A-1gz6A:
5.1		 1jg4A-1gz6A:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		6 GLN A  72
THR A  73
VAL A  74
GLY A 101
TRP A 104
GLY A 147
 ADN  A 500 (-3.7A)
NA  A 402 ( 3.9A)
None
ADN  A 500 (-3.4A)
None
None
 1.06A 1jg4A-1jg3A:
41.2		 1jg4A-1jg3A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		12 GLN A  72
THR A  73
VAL A  74
SER A  75
GLY A 101
TRP A 104
ASN A 105
GLY A 149
THR A 165
ALA A 166
VAL A 219
LEU A 221
 ADN  A 500 (-3.7A)
NA  A 402 ( 3.9A)
None
NA  A 402 ( 4.2A)
ADN  A 500 (-3.4A)
None
None
ADN  A 500 (-3.3A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 4.0A)
None
ADN  A 500 (-4.2A)
 0.44A 1jg4A-1jg3A:
41.2		 1jg4A-1jg3A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kr5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01135
(PCMT) 		7 THR A  57
SER A  59
GLY A  87
GLY A 142
ALA A 159
VAL A 213
LEU A 215
 None
SAH  A 300 (-3.7A)
SAH  A 300 (-3.6A)
SAH  A 300 (-3.5A)
SAH  A 300 ( 3.8A)
SAH  A 300 ( 4.8A)
SAH  A 300 (-4.4A)
 0.43A 1jg4A-1kr5A:
31.7		 1jg4A-1kr5A:
35.66
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 THR A 275
GLY A  74
THR A 281
ALA A 280
LEU A  70
 None
 1.05A 1jg4A-1l2qA:
undetectable		 1jg4A-1l2qA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 147
ASN A 113
GLY A  32
THR A 137
ALA A 136
 None
NAD  A 352 ( 4.6A)
None
NAD  A 352 (-3.7A)
NAD  A 352 (-4.3A)
 1.13A 1jg4A-1ldnA:
2.6		 1jg4A-1ldnA:
21.52
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.
1pek PROTEINASE K

(Parengyodontium
album) 		PF00082
(Peptidase_S8) 		5 SER E 130
GLY E 232
GLY E   9
ALA E 226
VAL E 180
 None
 1.04A 1jg4A-1pekE:
undetectable		 1jg4A-1pekE:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pyf IOLS PROTEIN

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		5 THR A  20
GLY A 153
THR A  83
ALA A  82
LEU A 121
 None
 1.11A 1jg4A-1pyfA:
undetectable		 1jg4A-1pyfA:
23.77
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.
1pz1 GENERAL STRESS
PROTEIN 69

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		5 THR A  20
GLY A 153
THR A  83
ALA A  82
LEU A 121
 None
 1.07A 1jg4A-1pz1A:
undetectable		 1jg4A-1pz1A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qzu HYPOTHETICAL PROTEIN
MDS018

(Homo sapiens) 		PF02441
(Flavoprotein) 		5 VAL A  28
SER A  27
ALA A 101
VAL A  24
LEU A  99
 FMN  A 801 (-4.6A)
FMN  A 801 (-2.7A)
None
None
None
 0.98A 1jg4A-1qzuA:
undetectable		 1jg4A-1qzuA:
23.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r18 PROTEIN-L-ISOASPARTA
TE(D-ASPARTATE)-O-ME
THYLTRANSFERASE

(Drosophila
melanogaster) 		PF01135
(PCMT) 		5 THR A  58
SER A  60
GLY A  88
GLY A 148
ALA A 165
 None
SAH  A 300 ( 4.1A)
SAH  A 300 (-3.2A)
SAH  A 300 (-3.6A)
SAH  A 300 (-3.6A)
 0.47A 1jg4A-1r18A:
28.0		 1jg4A-1r18A:
36.82
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.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		6 SER A 334
GLY A 314
GLY A 418
ALA A 292
VAL A 293
LEU A 429
 None
 1.43A 1jg4A-1tuoA:
undetectable		 1jg4A-1tuoA:
19.04
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.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE

(Zea mays) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 THR A 328
VAL A 329
SER A 254
GLY A  82
VAL A 246
 None
 1.08A 1jg4A-1vbgA:
undetectable		 1jg4A-1vbgA:
14.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		6 VAL A 359
ASN A 492
GLY A 452
THR A 485
ALA A 484
LEU A 442
 None
 1.44A 1jg4A-1w8oA:
undetectable		 1jg4A-1w8oA:
16.11
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.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 VAL A 153
GLY A 149
GLY A  70
ALA A 121
VAL A  97
 None
 1.01A 1jg4A-1wz8A:
undetectable		 1jg4A-1wz8A:
24.21
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.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 VAL A 153
GLY A 149
GLY A  71
ALA A 121
VAL A  97
 None
None
MPD  A3003 ( 4.1A)
None
None
 1.00A 1jg4A-1wz8A:
undetectable		 1jg4A-1wz8A:
24.21
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.
1xez HEMOLYSIN

(Vibrio cholerae) 		PF07968
(Leukocidin)
PF12563
(Hemolysin_N)
PF16458
(Beta-prism_lec) 		5 THR A 447
VAL A 448
SER A 398
GLY A  79
ALA A  72
 None
 1.09A 1jg4A-1xezA:
undetectable		 1jg4A-1xezA:
15.99
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.
1yni SUCCINYLARGININE
DIHYDROLASE

(Escherichia
coli) 		PF04996
(AstB) 		5 THR A 128
VAL A 129
GLY A 175
GLY A 197
ALA A 217
 None
 0.87A 1jg4A-1yniA:
undetectable		 1jg4A-1yniA:
18.00
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.
1yni SUCCINYLARGININE
DIHYDROLASE

(Escherichia
coli) 		PF04996
(AstB) 		5 THR A 128
VAL A 129
GLY A 197
ALA A 217
VAL A 221
 None
 1.04A 1jg4A-1yniA:
undetectable		 1jg4A-1yniA:
18.00
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.
2ap1 PUTATIVE REGULATOR
PROTEIN

(Salmonella
enterica) 		PF00480
(ROK) 		5 VAL A 139
GLY A 127
ASN A 107
GLY A 156
VAL A 244
 None
 1.07A 1jg4A-2ap1A:
undetectable		 1jg4A-2ap1A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bp1 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 THR A  45
GLY A 170
THR A 105
ALA A 104
LEU A 138
 None
 1.12A 1jg4A-2bp1A:
undetectable		 1jg4A-2bp1A:
19.56
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.
2c91 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 THR A  12
GLY A 137
THR A  72
ALA A  71
LEU A 105
 None
 1.11A 1jg4A-2c91A:
undetectable		 1jg4A-2c91A:
20.23
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.
2cp2 CLIP-115

(Homo sapiens) 		PF01302
(CAP_GLY) 		5 VAL A  52
GLY A  50
ASN A  60
GLY A  12
VAL A  27
 None
 1.05A 1jg4A-2cp2A:
undetectable		 1jg4A-2cp2A:
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.
2e9y CARBAMATE KINASE

(Aeropyrum
pernix) 		PF00696
(AA_kinase) 		5 VAL A 210
GLY A  60
THR A  82
ALA A  81
LEU A  62
 None
 1.09A 1jg4A-2e9yA:
3.7		 1jg4A-2e9yA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5c PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF02153
(PDH) 		5 VAL A  36
SER A  98
GLY A  60
GLY A  75
ALA A  46
 None
 1.09A 1jg4A-2g5cA:
3.7		 1jg4A-2g5cA:
24.39
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 VAL A 368
SER A 367
GLY A 373
GLY A 243
THR A 336
 None
 1.08A 1jg4A-2hg4A:
undetectable		 1jg4A-2hg4A:
12.16
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.
2ki8 TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE,
SUBUNIT D (FWDD-2)

(Archaeoglobus
fulgidus) 		PF01568
(Molydop_binding) 		5 VAL A  83
ASN A  53
GLY A  31
ALA A 104
VAL A 107
 None
 0.99A 1jg4A-2ki8A:
undetectable		 1jg4A-2ki8A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		5 THR A 334
GLY A 329
GLY A 380
ALA A 239
VAL A 236
 None
 1.12A 1jg4A-2nyfA:
undetectable		 1jg4A-2nyfA:
17.23
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.
2or7 T-CELL
IMMUNOGLOBULIN AND
MUCIN
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF07686
(V-set) 		5 VAL A  83
GLY A  86
GLY A  34
VAL A  15
LEU A  76
 None
 1.01A 1jg4A-2or7A:
undetectable		 1jg4A-2or7A:
20.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		6 THR A  60
SER A  62
GLY A  90
ALA A 170
VAL A 222
LEU A 224
 None
SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
SAH  A 301 ( 3.8A)
SAH  A 301 (-4.5A)
SAH  A 301 (-4.3A)
 0.47A 1jg4A-2pbfA:
28.5		 1jg4A-2pbfA:
32.66
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.
2qhp FRUCTOKINASE

(Bacteroides
thetaiotaomicron) 		PF00294
(PfkB) 		5 VAL A 117
GLY A 243
THR A 249
ALA A 250
VAL A  33
 None
 0.97A 1jg4A-2qhpA:
2.3		 1jg4A-2qhpA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 VAL A  42
SER A  43
GLY A 135
ALA A  11
VAL A  10
 None
 1.14A 1jg4A-2r66A:
undetectable		 1jg4A-2r66A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2weu TRYPTOPHAN
5-HALOGENASE

(Streptomyces
rugosporus) 		PF04820
(Trp_halogenase) 		5 TRP A 336
GLY A  11
THR A  17
ALA A  18
VAL A  31
 None
 1.12A 1jg4A-2weuA:
undetectable		 1jg4A-2weuA:
17.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		7 GLN A  58
THR A  59
SER A  61
GLY A 137
ALA A 154
VAL A 205
LEU A 207
 None
 1.01A 1jg4A-2yxeA:
35.3		 1jg4A-2yxeA:
50.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		8 THR A  59
SER A  61
GLY A  87
GLY A 137
THR A 153
ALA A 154
VAL A 205
LEU A 207
 None
 0.66A 1jg4A-2yxeA:
35.3		 1jg4A-2yxeA:
50.21
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.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		5 SER A 232
GLY A 332
GLY A  89
ALA A 326
VAL A 282
 None
 1.06A 1jg4A-2z2zA:
2.0		 1jg4A-2z2zA:
19.12
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.
3beu TRYPSIN

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 GLY A  69
GLY A  44
THR A  67
ALA A  66
VAL A  83
 None
 1.06A 1jg4A-3beuA:
undetectable		 1jg4A-3beuA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		5 SER A 137
GLY A 258
GLY A   9
ALA A 252
VAL A 189
 None
 1.05A 1jg4A-3d43A:
undetectable		 1jg4A-3d43A:
21.91
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.
3es5 PUTATIVE CAPSID
PROTEIN

(Penicillium
stoloniferum
virus F) 		no annotation 5 GLN A 356
VAL A 358
GLY A 354
GLY A 168
VAL A  73
 None
 1.10A 1jg4A-3es5A:
undetectable		 1jg4A-3es5A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f7m ALKALINE SERINE
PROTEASE VER112

(Lecanicillium
psalliotae) 		PF00082
(Peptidase_S8) 		5 SER A 234
GLY A 336
GLY A 113
ALA A 330
VAL A 284
 None
 1.08A 1jg4A-3f7mA:
undetectable		 1jg4A-3f7mA:
20.34
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 GLN A 387
THR A 385
GLY A 365
GLY A 240
ALA A 390
 None
 1.11A 1jg4A-3gcwA:
undetectable		 1jg4A-3gcwA:
16.29
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.
3ggg PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		no annotation 5 VAL D  36
SER D  98
GLY D  60
GLY D  75
ALA D  46
 None
 1.08A 1jg4A-3gggD:
3.1		 1jg4A-3gggD:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		5 THR A 154
VAL A 153
SER A 152
GLY A 168
THR A 132
 None
None
None
FAD  A 600 ( 4.7A)
None
 1.10A 1jg4A-3i3lA:
2.7		 1jg4A-3i3lA:
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.
3iuk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF05960
(DUF885) 		5 GLY A 547
ASN A 545
GLY A 390
THR A 397
ALA A 396
 None
 0.98A 1jg4A-3iukA:
undetectable		 1jg4A-3iukA:
16.25
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.
3k7u ANTIBODY

(Lama glama) 		PF07686
(V-set) 		5 GLN A 101
GLY A 102
GLY A  35
THR A 106
ALA A 107
 None
 1.07A 1jg4A-3k7uA:
undetectable		 1jg4A-3k7uA:
20.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Escherichia
coli) 		PF01135
(PCMT) 		9 GLN A  56
THR A  57
SER A  59
GLY A  85
GLY A 132
THR A 148
ALA A 149
VAL A 200
LEU A 202
 SAH  A 300 (-3.8A)
None
None
SAH  A 300 (-3.4A)
SAH  A 300 (-3.6A)
SAH  A 300 (-3.3A)
SAH  A 300 ( 3.7A)
None
SAH  A 300 (-4.2A)
 0.58A 1jg4A-3lbfA:
33.2		 1jg4A-3lbfA:
36.56
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 GLY A 196
ASN A 172
GLY A 214
VAL A 189
LEU A 200
 None
 0.91A 1jg4A-3lv4A:
undetectable		 1jg4A-3lv4A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mem PUTATIVE SIGNAL
TRANSDUCTION PROTEIN

(Marinobacter
hydrocarbonoclasticus) 		PF04073
(tRNA_edit)
PF08668
(HDOD) 		5 THR A 355
SER A 344
GLY A 317
GLY A 311
LEU A 396
 None
 1.06A 1jg4A-3memA:
undetectable		 1jg4A-3memA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mwg IRON-REGULATED ABC
TRANSPORTER
SIDEROPHORE-BINDING
PROTEIN SIRA

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		5 GLN A  61
GLY A  62
THR A  58
ALA A  77
VAL A  78
 None
 0.99A 1jg4A-3mwgA:
undetectable		 1jg4A-3mwgA:
20.63
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.
3n2t PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		5 THR A  22
GLY A 158
THR A  83
ALA A  82
LEU A 126
 None
 1.11A 1jg4A-3n2tA:
undetectable		 1jg4A-3n2tA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		5 VAL A 418
SER A 417
GLY A 392
THR A 398
ALA A 399
 None
 1.10A 1jg4A-3qp9A:
3.1		 1jg4A-3qp9A:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4y UNCHARACTERIZED
PROTEIN

(Desulfotomaculum
acetoxidans) 		PF10282
(Lactonase) 		5 VAL A  11
GLY A 315
ASN A 313
GLY A 100
VAL A  53
 None
 1.12A 1jg4A-3u4yA:
undetectable		 1jg4A-3u4yA:
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.
3ww8 PIZZA3 PROTEIN

(-) 		PF08450
(SGL) 		5 VAL A  60
GLY A 101
ASN A  16
GLY A 116
VAL A  78
 None
None
None
SO4  A 201 (-3.1A)
None
 1.14A 1jg4A-3ww8A:
undetectable		 1jg4A-3ww8A:
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.
3wwa PIZZA7H PROTEIN

(-) 		PF01436
(NHL)
PF08450
(SGL) 		5 VAL A 102
GLY A 143
ASN A  58
GLY A 158
VAL A 120
 None
 1.03A 1jg4A-3wwaA:
undetectable		 1jg4A-3wwaA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwa PIZZA7H PROTEIN

(-) 		PF01436
(NHL)
PF08450
(SGL) 		5 VAL A 228
GLY A  17
ASN A 184
GLY A  32
VAL A 246
 None
 1.13A 1jg4A-3wwaA:
undetectable		 1jg4A-3wwaA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a73 L-LACTATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A 148
ASN A 116
GLY A  33
THR A 139
ALA A 138
 None
 1.13A 1jg4A-4a73A:
3.6		 1jg4A-4a73A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 ASN A1543
GLY A1603
THR A1525
ALA A1524
VAL A1523
 None
 1.12A 1jg4A-4amcA:
undetectable		 1jg4A-4amcA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4axs CARBAMATE KINASE

(Mycoplasma
penetrans) 		PF00696
(AA_kinase) 		5 THR A 229
GLY A 187
ALA A   7
VAL A 227
LEU A 213
 SO4  A1312 (-3.4A)
None
None
None
None
 1.13A 1jg4A-4axsA:
3.0		 1jg4A-4axsA:
21.22
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.
4b8w GDP-L-FUCOSE
SYNTHASE

(Homo sapiens) 		PF01370
(Epimerase) 		5 THR A  13
VAL A  12
TRP A  38
ALA A 101
VAL A  97
 None
 1.11A 1jg4A-4b8wA:
undetectable		 1jg4A-4b8wA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 GLY A 192
ASN A 168
GLY A 210
VAL A 185
LEU A 196
 None
 0.90A 1jg4A-4cotA:
undetectable		 1jg4A-4cotA:
19.49
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.
4dz3 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00254
(FKBP_C) 		5 GLY A  77
GLY A  69
ALA A  23
VAL A 113
LEU A  57
 None
 1.12A 1jg4A-4dz3A:
undetectable		 1jg4A-4dz3A:
22.73
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.
4ftw PHOSPHOLIPASE/CARBOX
YLESTERASE

(Rhodobacter
sphaeroides) 		PF02230
(Abhydrolase_2) 		5 VAL A 242
GLY A 240
GLY A 184
VAL A 257
LEU A 262
 None
 1.07A 1jg4A-4ftwA:
undetectable		 1jg4A-4ftwA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3n DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis) 		PF03989
(DNA_gyraseA_C) 		5 THR A 627
VAL A 660
GLY A 647
ALA A 650
VAL A 651
 None
 1.13A 1jg4A-4g3nA:
undetectable		 1jg4A-4g3nA:
21.22
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 GLY A 776
ASN A 562
GLY A 655
ALA A 796
LEU A 629
 None
 1.10A 1jg4A-4hsuA:
undetectable		 1jg4A-4hsuA:
15.74
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 GLN A 281
VAL A 594
GLY A 272
THR A 611
ALA A 612
 None
 1.07A 1jg4A-4k0eA:
undetectable		 1jg4A-4k0eA:
12.00
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.
4kc8 GLYCOSIDE HYDROLASE,
FAMILY 43

(Thermotoga
petrophila) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 GLY A 191
ASN A 167
GLY A 209
VAL A 184
LEU A 195
 None
 0.94A 1jg4A-4kc8A:
undetectable		 1jg4A-4kc8A:
19.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l7v PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Vibrio cholerae) 		PF01135
(PCMT) 		6 GLY A  85
GLY A 132
THR A 148
ALA A 149
VAL A 200
LEU A 202
 SAH  A 301 (-3.5A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
SAH  A 301 ( 4.1A)
None
SAH  A 301 (-4.3A)
 0.38A 1jg4A-4l7vA:
28.0		 1jg4A-4l7vA:
36.21
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.
4ldp NDP-FOROSAMYLTRANSFE
RASE

(Saccharopolyspora
spinosa) 		PF06722
(DUF1205) 		5 ASN A 230
GLY A 332
THR A 339
ALA A 340
VAL A 345
 None
 1.06A 1jg4A-4ldpA:
2.9		 1jg4A-4ldpA:
19.74
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.
4ln1 L-LACTATE
DEHYDROGENASE 1

(Bacillus cereus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 129
ASN A  98
GLY A  12
THR A 122
ALA A 121
 None
 1.12A 1jg4A-4ln1A:
4.1		 1jg4A-4ln1A:
22.45
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.
4nef AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 VAL A  90
GLY A  51
THR A  20
ALA A  19
LEU A  55
 None
 1.08A 1jg4A-4nefA:
undetectable		 1jg4A-4nefA:
22.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		8 THR A  54
SER A  56
GLY A  82
GLY A 133
THR A 149
ALA A 150
VAL A 202
LEU A 204
 None
SAH  A 500 (-3.1A)
SAH  A 500 (-3.3A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.3A)
SAH  A 500 ( 4.5A)
None
SAH  A 500 (-4.3A)
 0.48A 1jg4A-4o29A:
33.2		 1jg4A-4o29A:
47.56
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.
4pfb C4-DICARBOXYLATE-BIN
DING PROTEIN

(Fusobacterium
nucleatum) 		PF03480
(DctP) 		5 VAL A  44
GLY A  89
THR A  31
VAL A  29
LEU A  86
 None
 1.03A 1jg4A-4pfbA:
undetectable		 1jg4A-4pfbA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qa8 PUTATIVE LIPOPROTEIN
LPRF

(Mycobacterium
bovis) 		PF07161
(LppX_LprAFG) 		6 THR A 134
VAL A 141
SER A 142
GLY A 104
THR A 131
ALA A 146
 PJZ  A 301 ( 4.4A)
None
None
None
None
None
 1.38A 1jg4A-4qa8A:
undetectable		 1jg4A-4qa8A:
23.62
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 THR A 211
ASN A 265
GLY A 286
ALA A 222
VAL A 219
 None
 1.11A 1jg4A-4qmeA:
undetectable		 1jg4A-4qmeA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 VAL A 249
ASN A 265
GLY A 286
ALA A 222
VAL A 219
 None
 0.94A 1jg4A-4qmeA:
undetectable		 1jg4A-4qmeA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 VAL A2661
SER A2662
GLY A2737
ASN A2739
GLY A2900
 None
 0.88A 1jg4A-4qyrA:
undetectable		 1jg4A-4qyrA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 VAL A  75
GLY A 122
GLY A  93
THR A  13
VAL A  63
 None
 1.12A 1jg4A-4weoA:
4.5		 1jg4A-4weoA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zg5 5'-NUCLEOTIDASE SURE

(Brucella
abortus) 		no annotation 5 GLN D  39
GLY D 105
GLY D  15
THR D   6
ALA D  34
 None
 1.12A 1jg4A-4zg5D:
undetectable		 1jg4A-4zg5D:
25.09
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.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLN A 332
THR A 694
ASN A 340
GLY A 308
VAL A 697
 None
SO4  A 805 (-3.7A)
None
None
None
 0.96A 1jg4A-4zlgA:
undetectable		 1jg4A-4zlgA:
14.77
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.
4zrs ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 THR A 225
VAL A 226
SER A 227
GLY A 182
GLY A  75
 None
None
None
SEB  A 151 ( 3.7A)
SEB  A 151 ( 3.8A)
 1.04A 1jg4A-4zrsA:
undetectable		 1jg4A-4zrsA:
23.47
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN B

(Bacillus
subtilis) 		PF02386
(TrkH) 		5 THR I  61
VAL I 391
GLY I 177
GLY I  69
ALA I  64
 None
K  I 501 (-4.9A)
K  I 501 ( 4.3A)
None
None
 1.02A 1jg4A-5butI:
undetectable		 1jg4A-5butI:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		5 SER A  38
GLY A 330
ALA A 333
VAL A 378
LEU A 376
 None
 1.05A 1jg4A-5e3cA:
undetectable		 1jg4A-5e3cA:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g3p FORMAMIDASE

(Bacillus cereus) 		PF00795
(CN_hydrolase) 		5 GLN A  35
THR A  63
SER A 102
GLY A  65
GLY A 221
 None
 1.09A 1jg4A-5g3pA:
undetectable		 1jg4A-5g3pA:
23.12
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.
5gvh ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[FMN]

(Thermotoga
maritima) 		PF03060
(NMO) 		5 SER A 199
GLY A 193
GLY A  44
ALA A  31
VAL A  34
 None
FMN  A 402 (-3.4A)
None
None
None
 1.12A 1jg4A-5gvhA:
undetectable		 1jg4A-5gvhA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 308
ASN A 348
GLY A 300
ALA A 297
LEU A 197
 None
 1.11A 1jg4A-5jtaA:
undetectable		 1jg4A-5jtaA:
15.58
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.
5l2r FUMARATE HYDRATASE

(Leishmania
major) 		PF05681
(Fumerase)
PF05683
(Fumerase_C) 		5 GLN A 316
GLY A 314
GLY A  97
ALA A 115
VAL A 114
 None
 1.12A 1jg4A-5l2rA:
undetectable		 1jg4A-5l2rA:
17.99
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.
5lq8 PUTATIVE PHOSPHONATE
BINDING PROTEIN FOR
ABC TRANSPORTER

(Prochlorococcus
marinus) 		no annotation 5 GLN A  74
THR A  75
SER A  78
GLY A 267
LEU A  66
 None
 1.14A 1jg4A-5lq8A:
undetectable		 1jg4A-5lq8A:
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.
5n6m APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 VAL A 404
SER A 405
GLY A 450
ALA A 423
VAL A 385
 None
 1.00A 1jg4A-5n6mA:
undetectable		 1jg4A-5n6mA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thm ESTERASE-6

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 THR A  86
VAL A  87
SER A  88
GLY A 109
ALA A 115
 None
None
None
7BZ  A 601 (-3.0A)
None
 1.09A 1jg4A-5thmA:
undetectable		 1jg4A-5thmA:
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.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Saccharomyces
cerevisiae;
Burkholderia
pseudomallei) 		no annotation 5 GLY A  77
GLY A  69
ALA A  23
VAL A 113
LEU A  57
 None
 1.12A 1jg4A-5v8tA:
undetectable		 1jg4A-5v8tA:
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.
5xeq NEUROLIGIN-2

(Homo sapiens) 		PF00135
(COesterase) 		5 VAL A 507
GLY A 509
GLY A  64
ALA A 202
VAL A 209
 None
 1.12A 1jg4A-5xeqA:
undetectable		 1jg4A-5xeqA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xez GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Homo sapiens;
Escherichia
virus T4) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme)
PF02793
(HRM) 		5 GLY A 359
GLY A 246
ALA A 314
VAL A 311
LEU A 243
 None
 1.11A 1jg4A-5xezA:
undetectable		 1jg4A-5xezA:
16.03
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.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 5 VAL A 263
GLY A 266
GLY A 128
THR A 132
ALA A 133
 None
 1.13A 1jg4A-5yemA:
2.4		 1jg4A-5yemA:
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 GLY A 292
ASN A 298
ALA A 327
VAL A 330
LEU A 262
 None
 1.02A 1jg4A-6c7sA:
2.7		 1jg4A-6c7sA:
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 SER A 484
GLY A 196
GLY A 228
ALA A 245
VAL A 248
 None
 1.09A 1jg4A-6fhwA:
undetectable		 1jg4A-6fhwA:
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 GLN L 309
THR L 306
GLY L 311
THR L 288
ALA L 289
 None
 1.13A 1jg4A-6g2jL:
undetectable		 1jg4A-6g2jL:
undetectable