SIMILAR PATTERNS OF AMINO ACIDS FOR 5O4Y_D_CCSD14_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.
1bwy PROTEIN (HEART FATTY
ACID BINDING
PROTEIN)

(Bos taurus) 		PF00061
(Lipocalin) 		5 PHE A  57
SER A  55
GLY A  33
VAL A  32
THR A  29
 None
 1.08A 5o4yD-1bwyA:
undetectable
5o4yE-1bwyA:
0.0		 5o4yD-1bwyA:
9.52
5o4yE-1bwyA:
24.82
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.
1cdo ALCOHOL
DEHYDROGENASE

(Gadus morhua) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 374
GLY A  70
GLY A  44
VAL A 371
ARG A 349
 None
 1.12A 5o4yD-1cdoA:
undetectable
5o4yE-1cdoA:
0.0		 5o4yD-1cdoA:
5.65
5o4yE-1cdoA:
15.43
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.
1djp GLUTAMINASE-ASPARAGI
NASE

(Pseudomonas sp.
7A) 		PF00710
(Asparaginase) 		5 LEU A1044
GLY A1136
GLY A1124
VAL A1123
THR A1097
 None
 1.00A 5o4yD-1djpA:
undetectable
5o4yE-1djpA:
0.0		 5o4yD-1djpA:
6.50
5o4yE-1djpA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 PHE A 161
LEU A  48
ARG A 207
GLY A 206
THR A 205
 None
 1.34A 5o4yD-1eizA:
undetectable
5o4yE-1eizA:
undetectable		 5o4yD-1eizA:
8.14
5o4yE-1eizA:
24.14
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.
1elt ELASTASE

(Salmo salar) 		PF00089
(Trypsin) 		5 SER A  45
GLY A 197
GLY A 211
VAL A 231
THR A 229
 None
 1.25A 5o4yD-1eltA:
undetectable
5o4yE-1eltA:
0.0		 5o4yD-1eltA:
21.21
5o4yE-1eltA:
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.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 PHE A 259
LEU A 263
SER A 142
GLY A 145
GLY A 148
 EST  A 350 (-4.4A)
None
EST  A 350 (-4.3A)
None
None
 1.31A 5o4yD-1fdwA:
undetectable
5o4yE-1fdwA:
0.0		 5o4yD-1fdwA:
21.43
5o4yE-1fdwA:
13.41
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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 LEU A 322
GLY A 265
GLU A 131
GLY A 267
ARG A 359
 None
CIT  A7476 (-3.2A)
CIT  A7476 (-2.7A)
CIT  A7476 (-3.8A)
MN  A 470 (-3.4A)
 1.20A 5o4yD-1htqA:
undetectable
5o4yE-1htqA:
0.0		 5o4yD-1htqA:
20.00
5o4yE-1htqA:
13.26
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.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		5 PHE A 125
LEU A 123
TRP A 190
GLY A  34
THR A 138
 None
None
None
ZN  A1457 (-3.6A)
None
 1.25A 5o4yD-1ibqA:
undetectable
5o4yE-1ibqA:
0.0		 5o4yD-1ibqA:
13.16
5o4yE-1ibqA:
17.76
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 PHE A 145
TRP A 477
ARG A 144
GLU A 143
GLY A 172
 None
None
None
None
CA  A 601 (-3.9A)
 1.14A 5o4yD-1j0hA:
undetectable
5o4yE-1j0hA:
4.2		 5o4yD-1j0hA:
2.85
5o4yE-1j0hA:
12.24
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.
1kaw SINGLE-STRANDED DNA
BINDING PROTEIN

(Escherichia
coli) 		PF00436
(SSB) 		5 PHE A  60
LEU A  63
GLY A  81
GLY A 106
VAL A 105
 None
 1.33A 5o4yD-1kawA:
undetectable
5o4yE-1kawA:
undetectable		 5o4yD-1kawA:
5.93
5o4yE-1kawA:
19.71
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 LEU A 163
GLU A 300
GLY A 212
VAL A 213
ARG A 217
 None
 1.27A 5o4yD-1kq3A:
undetectable
5o4yE-1kq3A:
undetectable		 5o4yD-1kq3A:
2.27
5o4yE-1kq3A:
18.71
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.
1mw9 DNA TOPOISOMERASE I

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLY X 298
GLU X 479
GLY X 300
VAL X 301
THR X 304
 None
 1.22A 5o4yD-1mw9X:
undetectable
5o4yE-1mw9X:
undetectable		 5o4yD-1mw9X:
3.39
5o4yE-1mw9X:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcw PROTEASE DEGS

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 127
ARG A 253
GLY A 120
VAL A 254
ARG A 256
 None
 1.35A 5o4yD-1vcwA:
undetectable
5o4yE-1vcwA:
undetectable		 5o4yD-1vcwA:
8.33
5o4yE-1vcwA:
15.69
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.
1vkm CONSERVED
HYPOTHETICAL PROTEIN
TM1464

(Thermotoga
maritima) 		PF04227
(Indigoidine_A) 		5 LEU A 103
GLU A  82
GLY A  79
VAL A  78
THR A  95
 None
 1.29A 5o4yD-1vkmA:
undetectable
5o4yE-1vkmA:
undetectable		 5o4yD-1vkmA:
1.95
5o4yE-1vkmA:
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.
1w98 G1/S-SPECIFIC CYCLIN
E1

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		5 PHE B 151
LEU B 153
ARG B 148
VAL B 232
THR B 230
 None
 1.21A 5o4yD-1w98B:
undetectable
5o4yE-1w98B:
undetectable		 5o4yD-1w98B:
4.43
5o4yE-1w98B:
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.
1woi AGMATINASE

(Deinococcus
radiodurans) 		PF00491
(Arginase) 		5 PHE A 116
LEU A 272
SER A 124
GLY A 119
VAL A  36
 None
 1.31A 5o4yD-1woiA:
undetectable
5o4yE-1woiA:
undetectable		 5o4yD-1woiA:
5.99
5o4yE-1woiA:
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.
1yxm PEROXISOMAL TRANS
2-ENOYL COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 LEU A 128
SER A 171
GLY A 172
GLY A 177
VAL A 178
 None
 1.34A 5o4yD-1yxmA:
undetectable
5o4yE-1yxmA:
undetectable		 5o4yD-1yxmA:
3.83
5o4yE-1yxmA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjj HYPOTHETICAL PROTEIN
PH1952

(Pyrococcus
horikoshii) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 SER A 169
GLY A 166
GLY A 125
VAL A 124
THR A 151
 None
 1.34A 5o4yD-1zjjA:
undetectable
5o4yE-1zjjA:
undetectable		 5o4yD-1zjjA:
9.91
5o4yE-1zjjA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 SER A  16
GLY A  13
GLY A  89
VAL A  90
THR A 135
 None
None
None
UNX  A 276 (-4.8A)
None
 1.03A 5o4yD-2a4kA:
undetectable
5o4yE-2a4kA:
undetectable		 5o4yD-2a4kA:
5.43
5o4yE-2a4kA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3a GLUTAMINE SYNTHETASE

(Zea mays) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 LEU A 292
SER A 336
GLY A 247
GLY A 245
ARG A 290
 None
None
P3S  A5001 ( 4.1A)
P3S  A5001 (-4.3A)
None
 1.32A 5o4yD-2d3aA:
undetectable
5o4yE-2d3aA:
undetectable		 5o4yD-2d3aA:
2.82
5o4yE-2d3aA:
16.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dfa HYPOTHETICAL UPF0271
PROTEIN TTHB195

(Thermus
thermophilus) 		PF03746
(LamB_YcsF) 		5 LEU A  94
SER A  41
ARG A  44
GLY A  40
GLY A  10
 None
 1.06A 5o4yD-2dfaA:
undetectable
5o4yE-2dfaA:
undetectable		 5o4yD-2dfaA:
31.82
5o4yE-2dfaA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2du7 O-PHOSPHOSERYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF01409
(tRNA-synt_2d) 		5 LEU A 265
SER A 245
GLY A 331
GLY A 333
VAL A 334
 None
 1.25A 5o4yD-2du7A:
undetectable
5o4yE-2du7A:
undetectable		 5o4yD-2du7A:
7.92
5o4yE-2du7A:
12.50
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.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		5 PHE A 173
LEU A 171
SER A 468
GLY A 457
GLY A 473
 None
 1.24A 5o4yD-2et6A:
undetectable
5o4yE-2et6A:
undetectable		 5o4yD-2et6A:
1.67
5o4yE-2et6A:
12.63
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 PHE A 435
LEU A 212
ARG A 427
GLY A 438
VAL A 406
 None
None
None
FAD  A1000 (-3.5A)
None
 1.27A 5o4yD-2fjaA:
undetectable
5o4yE-2fjaA:
undetectable		 5o4yD-2fjaA:
2.00
5o4yE-2fjaA:
11.86
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.
2fk9 PROTEIN KINASE C,
ETA TYPE

(Homo sapiens) 		PF00168
(C2) 		5 LEU A 108
SER A 115
GLU A 119
VAL A 133
ARG A  15
 None
 1.31A 5o4yD-2fk9A:
undetectable
5o4yE-2fk9A:
undetectable		 5o4yD-2fk9A:
5.41
5o4yE-2fk9A:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fqh HYPOTHETICAL PROTEIN
TA0938

(Thermoplasma
acidophilum) 		PF11494
(Ta0938) 		5 SER A  15
GLY A  14
GLY A  86
VAL A   8
ARG A  63
 None
 1.30A 5o4yD-2fqhA:
undetectable
5o4yE-2fqhA:
undetectable		 5o4yD-2fqhA:
9.23
5o4yE-2fqhA:
22.03
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.
2gdr GLUTATHIONE
S-TRANSFERASE

(Paraburkholderia
xenovorans) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 PHE A 181
LEU A 172
SER A 177
GLY A 134
VAL A 136
 None
 1.24A 5o4yD-2gdrA:
undetectable
5o4yE-2gdrA:
undetectable		 5o4yD-2gdrA:
7.36
5o4yE-2gdrA:
21.74
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.
2hig 6-PHOSPHO-1-FRUCTOKI
NASE

(Trypanosoma
brucei) 		PF00365
(PFK) 		5 SER A 171
GLY A 106
GLY A 197
VAL A 196
THR A 195
 None
 1.19A 5o4yD-2higA:
undetectable
5o4yE-2higA:
undetectable		 5o4yD-2higA:
2.67
5o4yE-2higA:
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.
2lav VACCINIA-RELATED
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A 227
LEU A 247
SER A 229
GLY A 242
GLY A 176
 None
 1.26A 5o4yD-2lavA:
undetectable
5o4yE-2lavA:
undetectable		 5o4yD-2lavA:
3.62
5o4yE-2lavA:
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.
2ntt STAPHYLOCOCCAL
ENTEROTOXIN K

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C) 		5 LEU A 193
SER A  46
GLY A  80
GLY A  66
VAL A  19
 None
 1.03A 5o4yD-2nttA:
undetectable
5o4yE-2nttA:
undetectable		 5o4yD-2nttA:
6.87
5o4yE-2nttA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 LEU A 174
ARG A 177
GLY A 107
GLU A 148
GLY A 136
 KCX  A 175 ( 4.1A)
None
KCX  A 175 ( 4.0A)
None
None
 1.23A 5o4yD-2ogjA:
undetectable
5o4yE-2ogjA:
undetectable		 5o4yD-2ogjA:
2.84
5o4yE-2ogjA:
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.
2olg PRO-PHENOLOXIDASE
ACTIVATING ENZYME-I

(Holotrichia
diomphalia) 		PF00089
(Trypsin) 		5 SER A 143
GLY A 317
GLY A 332
VAL A 352
THR A 350
 None
 1.29A 5o4yD-2olgA:
undetectable
5o4yE-2olgA:
undetectable		 5o4yD-2olgA:
3.90
5o4yE-2olgA:
15.56
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.
2ovl PUTATIVE RACEMASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 111
ARG A  37
GLY A  46
GLY A  48
VAL A  36
 None
 1.32A 5o4yD-2ovlA:
undetectable
5o4yE-2ovlA:
undetectable		 5o4yD-2ovlA:
2.83
5o4yE-2ovlA:
16.31
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.
2p0w HISTONE
ACETYLTRANSFERASE
TYPE B CATALYTIC
SUBUNIT

(Homo sapiens) 		PF10394
(Hat1_N) 		5 LEU A 178
SER A  84
GLU A 133
GLY A  81
THR A 218
 None
 1.23A 5o4yD-2p0wA:
undetectable
5o4yE-2p0wA:
undetectable		 5o4yD-2p0wA:
6.09
5o4yE-2p0wA:
16.19
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.
2qe8 UNCHARACTERIZED
PROTEIN

(Trichormus
variabilis) 		PF03022
(MRJP) 		5 TRP A  80
ARG A 342
GLY A  75
GLY A 341
THR A  22
 GOL  A 349 ( 4.9A)
None
None
None
None
 1.23A 5o4yD-2qe8A:
undetectable
5o4yE-2qe8A:
undetectable		 5o4yD-2qe8A:
4.48
5o4yE-2qe8A:
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.
2uu7 GLUTAMINE SYNTHETASE

(Canis lupus) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 LEU A 300
GLY A 249
GLU A 136
GLY A 251
ARG A 340
 None
None
MG  A 401 (-3.5A)
None
None
 1.26A 5o4yD-2uu7A:
undetectable
5o4yE-2uu7A:
undetectable		 5o4yD-2uu7A:
3.85
5o4yE-2uu7A:
14.25
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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 PHE A  63
LEU A 172
SER A  62
GLU A  38
GLY A  35
 None
 1.12A 5o4yD-2va8A:
undetectable
5o4yE-2va8A:
undetectable		 5o4yD-2va8A:
4.52
5o4yE-2va8A:
9.72
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.
2wlt L-ASPARAGINASE

(Helicobacter
pylori) 		PF00710
(Asparaginase) 		5 LEU A  39
GLY A 131
GLY A 119
VAL A 118
THR A  92
 None
 0.97A 5o4yD-2wltA:
undetectable
5o4yE-2wltA:
undetectable		 5o4yD-2wltA:
2.84
5o4yE-2wltA:
17.67
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.
2z0f PUTATIVE
PHOSPHOGLUCOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 SER A  29
GLU A 370
GLY A 352
VAL A 351
ARG A 487
 None
 1.29A 5o4yD-2z0fA:
undetectable
5o4yE-2z0fA:
undetectable		 5o4yD-2z0fA:
3.86
5o4yE-2z0fA:
13.48
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.
2zpa UNCHARACTERIZED
PROTEIN YPFI

(Escherichia
coli) 		PF05127
(Helicase_RecD)
PF08351
(DUF1726)
PF13718
(GNAT_acetyltr_2)
PF17176
(tRNA_bind_3) 		5 PHE A 503
TRP A 504
ARG A 502
GLY A 498
THR A 497
 ACO  A 700 (-3.8A)
None
None
None
None
 1.20A 5o4yD-2zpaA:
undetectable
5o4yE-2zpaA:
undetectable		 5o4yD-2zpaA:
2.85
5o4yE-2zpaA:
10.97
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.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 GLU B 302
GLY B 238
VAL B 239
ARG B 243
THR B 242
 None
 1.34A 5o4yD-3aeqB:
undetectable
5o4yE-3aeqB:
undetectable		 5o4yD-3aeqB:
3.82
5o4yE-3aeqB:
10.96
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.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 GLY B 394
GLY B 238
VAL B 239
ARG B 243
THR B 242
 None
 1.17A 5o4yD-3aeqB:
undetectable
5o4yE-3aeqB:
undetectable		 5o4yD-3aeqB:
3.82
5o4yE-3aeqB:
10.96
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.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 LEU B 178
GLY B 394
VAL B 239
ARG B 243
THR B 242
 None
 1.34A 5o4yD-3aeqB:
undetectable
5o4yE-3aeqB:
undetectable		 5o4yD-3aeqB:
3.82
5o4yE-3aeqB:
10.96
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		5 PHE A 125
LEU A 123
TRP A 190
GLY A  34
THR A 137
 None
 1.30A 5o4yD-3emyA:
undetectable
5o4yE-3emyA:
undetectable		 5o4yD-3emyA:
5.45
5o4yE-3emyA:
13.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 SER A 283
ARG A 236
GLY A 255
GLY A 234
ARG A 173
 None
 1.33A 5o4yD-3fgbA:
undetectable
5o4yE-3fgbA:
undetectable		 5o4yD-3fgbA:
5.00
5o4yE-3fgbA:
14.96
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.
3ga2 ENDONUCLEASE V

(Bacillus
subtilis) 		PF04493
(Endonuclease_5) 		5 PHE A 189
LEU A 148
SER A 191
GLY A 119
GLY A 117
 None
 1.28A 5o4yD-3ga2A:
undetectable
5o4yE-3ga2A:
undetectable		 5o4yD-3ga2A:
3.66
5o4yE-3ga2A:
18.33
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.
3kds CELL DIVISION
PROTEIN FTSH

(Thermotoga
maritima) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		5 ARG E 336
GLY E 165
GLY E 367
VAL E 366
THR E 205
 None
 1.33A 5o4yD-3kdsE:
undetectable
5o4yE-3kdsE:
undetectable		 5o4yD-3kdsE:
5.56
5o4yE-3kdsE:
14.02
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.
3kk7 PUTATIVE CELL
INVASION PROTEIN
WITH MAC/PERFORIN
DOMAIN

(Bacteroides
thetaiotaomicron) 		PF01823
(MACPF) 		5 LEU A 337
SER A 343
GLY A 317
GLY A 237
VAL A 183
 None
 1.23A 5o4yD-3kk7A:
undetectable
5o4yE-3kk7A:
undetectable		 5o4yD-3kk7A:
2.13
5o4yE-3kk7A:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l49 ABC SUGAR (RIBOSE)
TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
SUBUNIT

(Rhodobacter
sphaeroides) 		PF13407
(Peripla_BP_4) 		5 LEU A 304
GLY A 248
GLY A 267
VAL A 259
THR A 306
 None
 1.33A 5o4yD-3l49A:
undetectable
5o4yE-3l49A:
undetectable		 5o4yD-3l49A:
3.55
5o4yE-3l49A:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ng0 GLUTAMINE SYNTHETASE

(Synechocystis
sp. PCC 6803) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 LEU A 325
GLY A 268
GLU A 134
GLY A 270
ARG A 363
 None
None
MN  A 475 (-3.6A)
None
MN  A 477 (-3.7A)
 1.21A 5o4yD-3ng0A:
undetectable
5o4yE-3ng0A:
undetectable		 5o4yD-3ng0A:
2.80
5o4yE-3ng0A:
13.12
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.
3nxk CYTOPLASMIC
L-ASPARAGINASE

(Campylobacter
jejuni) 		PF00710
(Asparaginase) 		5 LEU A  40
GLY A 131
GLY A 119
VAL A 118
THR A  92
 None
 1.07A 5o4yD-3nxkA:
undetectable
5o4yE-3nxkA:
undetectable		 5o4yD-3nxkA:
3.02
5o4yE-3nxkA:
16.94
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.
3o90 NICOTINAMIDASE

(Streptococcus
pneumoniae) 		PF00857
(Isochorismatase) 		5 SER A  18
GLY A  19
GLU A  12
GLY A  78
THR A  76
 None
 1.32A 5o4yD-3o90A:
undetectable
5o4yE-3o90A:
undetectable		 5o4yD-3o90A:
12.90
5o4yE-3o90A:
20.56
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.
3oib ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 220
SER A 228
ARG A 184
GLY A 182
VAL A 183
 None
 1.17A 5o4yD-3oibA:
undetectable
5o4yE-3oibA:
undetectable		 5o4yD-3oibA:
3.92
5o4yE-3oibA:
15.22
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.
3r7k PROBABLE ACYL COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 219
SER A 227
ARG A 183
GLY A 181
VAL A 182
 None
 1.20A 5o4yD-3r7kA:
undetectable
5o4yE-3r7kA:
undetectable		 5o4yD-3r7kA:
2.61
5o4yE-3r7kA:
14.21
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.
3r7k PROBABLE ACYL COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 379
SER A 102
ARG A 371
GLY A 104
GLY A 223
 None
 1.32A 5o4yD-3r7kA:
undetectable
5o4yE-3r7kA:
undetectable		 5o4yD-3r7kA:
2.61
5o4yE-3r7kA:
14.21
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		5 LEU A 336
ARG A 150
GLY A 348
VAL A 347
ARG A 332
 None
None
LMR  A 401 (-3.4A)
None
None
 1.32A 5o4yD-3racA:
undetectable
5o4yE-3racA:
undetectable		 5o4yD-3racA:
4.00
5o4yE-3racA:
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 LEU A 193
SER A 276
GLY A 277
GLY A 279
VAL A 280
 None
 1.31A 5o4yD-3viuA:
undetectable
5o4yE-3viuA:
undetectable		 5o4yD-3viuA:
3.47
5o4yE-3viuA:
10.00
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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases) 		5 ARG A  74
GLY A  77
GLU A  73
GLY A  81
THR A  82
 None
None
None
None
NFU  A1004 (-4.0A)
 1.24A 5o4yD-4c3oA:
undetectable
5o4yE-4c3oA:
undetectable		 5o4yD-4c3oA:
2.22
5o4yE-4c3oA:
14.31
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.
4eca L-ASPARAGINE
AMIDOHYDROLASE

(Escherichia
coli) 		PF00710
(Asparaginase) 		5 LEU A  35
GLY A 125
GLY A 113
VAL A 112
THR A  86
 None
 1.04A 5o4yD-4ecaA:
undetectable
5o4yE-4ecaA:
undetectable		 5o4yD-4ecaA:
4.82
5o4yE-4ecaA:
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.
4laf NAD(P)H
DEHYDROGENASE
(QUINONE)

(Pseudomonas sp.
WBC-3) 		PF03358
(FMN_red) 		5 PHE A 117
SER A 119
GLU A 185
GLY A 163
THR A 165
 None
FMN  A 400 (-2.6A)
None
None
None
 1.23A 5o4yD-4lafA:
undetectable
5o4yE-4lafA:
undetectable		 5o4yD-4lafA:
7.14
5o4yE-4lafA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 LEU A 299
GLY A 241
GLU A 134
GLY A 243
ARG A 335
 None
None
GLN  A 503 (-3.0A)
GLN  A 503 ( 4.6A)
GLN  A 503 ( 4.8A)
 1.08A 5o4yD-4lnfA:
undetectable
5o4yE-4lnfA:
undetectable		 5o4yD-4lnfA:
2.11
5o4yE-4lnfA:
14.06
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.
4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP

(Shewanella
oneidensis) 		PF03480
(DctP) 		5 PHE A 115
LEU A 117
SER A 103
GLY A 242
VAL A 243
 None
 1.27A 5o4yD-4mx6A:
undetectable
5o4yE-4mx6A:
undetectable		 5o4yD-4mx6A:
4.35
5o4yE-4mx6A:
17.10
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.
4o94 TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		5 PHE A 105
LEU A 107
SER A  93
GLY A 232
VAL A 233
 None
 1.35A 5o4yD-4o94A:
undetectable
5o4yE-4o94A:
undetectable		 5o4yD-4o94A:
3.88
5o4yE-4o94A:
16.01
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.
4oal CYTOKININ
DEHYDROGENASE 4

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 SER A 117
GLY A  97
GLY A 177
VAL A 176
THR A 179
 None
FAD  A 601 (-3.6A)
FAD  A 601 (-3.5A)
None
FAD  A 601 (-4.6A)
 1.30A 5o4yD-4oalA:
undetectable
5o4yE-4oalA:
undetectable		 5o4yD-4oalA:
2.83
5o4yE-4oalA:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ol0 TRANSPORTIN-3

(Homo sapiens) 		PF08389
(Xpo1) 		5 PHE B 733
LEU B 735
GLY B 741
VAL B 749
THR B 748
 None
 1.34A 5o4yD-4ol0B:
undetectable
5o4yE-4ol0B:
undetectable		 5o4yD-4ol0B:
1.49
5o4yE-4ol0B:
9.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pq8 DESIGNED PROTEIN
OR465

(synthetic
construct) 		PF00560
(LRR_1)
PF12354
(Internalin_N)
PF13855
(LRR_8) 		5 LEU A 131
ARG A 162
GLY A 158
GLU A 137
GLY A 134
 None
 1.22A 5o4yD-4pq8A:
undetectable
5o4yE-4pq8A:
undetectable		 5o4yD-4pq8A:
7.14
5o4yE-4pq8A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qpw GLYCOSYL HYDROLASE
FAMILY 10

(Bacteroides
intestinalis) 		no annotation 5 LEU A 242
GLY A 255
GLY A 245
VAL A 279
THR A 281
 None
 1.25A 5o4yD-4qpwA:
undetectable
5o4yE-4qpwA:
undetectable		 5o4yD-4qpwA:
7.83
5o4yE-4qpwA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qsg GAS VESICLE PROTEIN

(Microcystis
aeruginosa) 		PF06386
(GvpL_GvpF) 		5 LEU A 136
GLY A 157
GLU A 161
VAL A 164
THR A 163
 None
 1.20A 5o4yD-4qsgA:
undetectable
5o4yE-4qsgA:
undetectable		 5o4yD-4qsgA:
14.29
5o4yE-4qsgA:
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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 LEU A 331
GLY A 273
GLU A 136
GLY A 275
ARG A 369
 None
None
MG  A 501 (-3.2A)
None
None
 1.22A 5o4yD-4s17A:
undetectable
5o4yE-4s17A:
undetectable		 5o4yD-4s17A:
2.70
5o4yE-4s17A:
13.02
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.
4uul L-LACTATE
DEHYDROGENASE

(Trichomonas
vaginalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 PHE A  84
LEU A   8
SER A  21
GLY A  11
VAL A  86
 None
 1.16A 5o4yD-4uulA:
undetectable
5o4yE-4uulA:
undetectable		 5o4yD-4uulA:
3.38
5o4yE-4uulA:
16.72
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.
4wv7 HEAT SHOCK 70 KDA
PROTEIN 1A/1B

(Homo sapiens) 		PF00012
(HSP70) 		5 LEU A 403
GLY A 408
VAL A 409
ARG A 533
THR A 405
 None
 1.32A 5o4yD-4wv7A:
undetectable
5o4yE-4wv7A:
undetectable		 5o4yD-4wv7A:
5.17
5o4yE-4wv7A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		5 LEU A  12
GLY A 407
VAL A  22
ARG A  17
THR A  21
 None
 1.08A 5o4yD-4wvaA:
undetectable
5o4yE-4wvaA:
undetectable		 5o4yD-4wvaA:
3.35
5o4yE-4wvaA:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xvx ACYL-[ACYL-CARRIER-P
ROTEIN]
DEHYDROGENASE MBTN

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 351
SER A  76
GLY A  78
GLY A 201
ARG A 347
 P33  A 401 ( 4.0A)
None
None
None
None
 1.21A 5o4yD-4xvxA:
undetectable
5o4yE-4xvxA:
undetectable		 5o4yD-4xvxA:
3.54
5o4yE-4xvxA:
14.91
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.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		5 TRP A 743
SER A 742
GLY A 740
GLY A 719
ARG A 674
 None
 1.01A 5o4yD-5a42A:
undetectable
5o4yE-5a42A:
6.8		 5o4yD-5a42A:
1.99
5o4yE-5a42A:
5.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cer BD0816
BD3460

(Bdellovibrio
bacteriovorus;
Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13)
PF12796
(Ank_2) 		5 PHE B 182
GLY A 335
GLY B 175
VAL B 171
THR B 176
 None
 1.35A 5o4yD-5cerB:
undetectable
5o4yE-5cerB:
undetectable		 5o4yD-5cerB:
8.00
5o4yE-5cerB:
25.45
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.
5eow 6-HYDROXYNICOTINATE
3-MONOOXYGENASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 LEU A 292
SER A 163
GLY A 160
GLY A  11
VAL A  10
 None
None
FAD  A 401 (-3.5A)
FAD  A 401 (-3.0A)
FAD  A 401 (-4.7A)
 1.30A 5o4yD-5eowA:
undetectable
5o4yE-5eowA:
undetectable		 5o4yD-5eowA:
3.20
5o4yE-5eowA:
17.10
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.
5eu0 BARTONELLA EFFECTOR
PROTEIN (BEP)
SUBSTRATE OF VIRB
T4SS

(Bartonella
rochalimae) 		PF02661
(Fic) 		5 PHE A 124
LEU A 166
GLY A 133
VAL A 130
ARG A  94
 None
 1.21A 5o4yD-5eu0A:
undetectable
5o4yE-5eu0A:
undetectable		 5o4yD-5eu0A:
16.98
5o4yE-5eu0A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fzp DISPASE
AUTOLYSIS-INDUCING
PROTEIN

(Streptomyces
mobaraensis) 		no annotation 5 LEU A 145
SER A 120
GLY A 140
GLY A 125
VAL A 126
 None
 1.03A 5o4yD-5fzpA:
undetectable
5o4yE-5fzpA:
undetectable		 5o4yD-5fzpA:
4.13
5o4yE-5fzpA:
15.41
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.
5h80 CARBOXYLASE

(Deinococcus
radiodurans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 222
GLY A 270
GLY A 214
VAL A 219
THR A 220
 None
 1.32A 5o4yD-5h80A:
undetectable
5o4yE-5h80A:
undetectable		 5o4yD-5h80A:
2.40
5o4yE-5h80A:
16.07
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.
5hft GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Klebsiella
pneumoniae) 		PF01019
(G_glu_transpept) 		5 PHE B 357
LEU B 405
GLY B 421
VAL B 343
THR B 342
 None
 1.25A 5o4yD-5hftB:
undetectable
5o4yE-5hftB:
undetectable		 5o4yD-5hftB:
3.74
5o4yE-5hftB:
22.56
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.
5hg0 PANTOTHENATE
SYNTHETASE

(Francisella
tularensis) 		PF02569
(Pantoate_ligase) 		5 LEU A  32
SER A  38
GLY A  35
VAL A  26
THR A  28
 None
SAM  A 301 ( 4.6A)
SAM  A 301 ( 3.7A)
None
SAM  A 301 ( 4.9A)
 1.29A 5o4yD-5hg0A:
undetectable
5o4yE-5hg0A:
undetectable		 5o4yD-5hg0A:
4.39
5o4yE-5hg0A:
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.
5i3a TYROSINASE

(Bacillus
megaterium) 		PF00264
(Tyrosinase) 		5 PHE A 131
TRP A 136
GLY A 134
VAL A 126
ARG A 151
 None
 1.27A 5o4yD-5i3aA:
undetectable
5o4yE-5i3aA:
undetectable		 5o4yD-5i3aA:
10.00
5o4yE-5i3aA:
16.84
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.
5j1g PLECTIN

(Homo sapiens) 		no annotation 5 LEU A1211
GLU A1179
GLY A1124
VAL A1121
THR A1125
 None
 1.17A 5o4yD-5j1gA:
undetectable
5o4yE-5j1gA:
undetectable		 5o4yD-5j1gA:
3.55
5o4yE-5j1gA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1i PLECTIN

(Homo sapiens) 		no annotation 5 LEU A1211
GLU A1179
GLY A1124
VAL A1121
THR A1125
 None
 1.17A 5o4yD-5j1iA:
undetectable
5o4yE-5j1iA:
undetectable		 5o4yD-5j1iA:
2.67
5o4yE-5j1iA:
15.73
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.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00180
(Iso_dh) 		5 GLY A 390
GLU A 388
GLY A 385
VAL A 384
THR A 373
 None
 1.32A 5o4yD-5j32A:
undetectable
5o4yE-5j32A:
undetectable		 5o4yD-5j32A:
4.27
5o4yE-5j32A:
16.75
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.
5jd5 MGS-MILE3

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 316
SER A 116
GLY A 120
GLY A  90
VAL A  91
 None
 1.30A 5o4yD-5jd5A:
undetectable
5o4yE-5jd5A:
undetectable		 5o4yD-5jd5A:
2.54
5o4yE-5jd5A:
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.
5jij ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE

(Mycolicibacterium
thermoresistibile) 		PF00982
(Glyco_transf_20) 		5 TRP A  58
SER A  82
ARG A 118
GLU A 121
VAL A 122
 None
 1.34A 5o4yD-5jijA:
undetectable
5o4yE-5jijA:
undetectable		 5o4yD-5jijA:
2.25
5o4yE-5jijA:
13.74
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.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 5 PHE B 814
LEU B 292
SER B 815
GLY B 350
VAL B 351
 None
 1.24A 5o4yD-5khnB:
undetectable
5o4yE-5khnB:
undetectable		 5o4yD-5khnB:
1.82
5o4yE-5khnB:
7.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldf GLUTAMINE SYNTHETASE

(Salmonella
enterica) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 LEU A 322
GLY A 265
GLU A 131
GLY A 267
ARG A 359
 None
 1.21A 5o4yD-5ldfA:
undetectable
5o4yE-5ldfA:
undetectable		 5o4yD-5ldfA:
2.47
5o4yE-5ldfA:
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.
5lly DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 5 TRP D  96
GLY D 106
GLY D 243
VAL D 244
ARG D 294
 None
None
None
None
CL  D 603 (-4.3A)
 1.20A 5o4yD-5llyD:
undetectable
5o4yE-5llyD:
undetectable		 5o4yD-5llyD:
2.76
5o4yE-5llyD:
11.37
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LEU A 574
SER A 569
GLY A 568
GLU A 566
GLY A 565
 None
 1.35A 5o4yD-5lp4A:
undetectable
5o4yE-5lp4A:
undetectable		 5o4yD-5lp4A:
2.54
5o4yE-5lp4A:
11.63
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.
5mb4 GLCNAC SPECIFIC
LECTIN

(Psathyrella) 		PF13517
(VCBS) 		5 PHE A 215
TRP A 222
GLY A 218
GLY A 190
VAL A 194
 None
NAG  A 512 (-3.5A)
None
NDG  A 509 ( 3.4A)
None
 1.20A 5o4yD-5mb4A:
undetectable
5o4yE-5mb4A:
undetectable		 5o4yD-5mb4A:
4.40
5o4yE-5mb4A:
13.97
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.
5sym ACYL-PROTEIN
THIOESTERASE 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 LEU A 142
GLY A 121
GLY A 116
VAL A 139
THR A 140
 None
 1.32A 5o4yD-5symA:
undetectable
5o4yE-5symA:
undetectable		 5o4yD-5symA:
18.37
5o4yE-5symA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5th5 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE

(Bacillus
subtilis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		5 PHE A  94
LEU A  88
GLY A   4
VAL A   7
THR A  31
 None
 1.27A 5o4yD-5th5A:
undetectable
5o4yE-5th5A:
undetectable		 5o4yD-5th5A:
5.00
5o4yE-5th5A:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 PHE A 262
SER A 260
GLY A 257
VAL A  45
THR A   7
 None
 0.89A 5o4yD-5urbA:
undetectable
5o4yE-5urbA:
undetectable		 5o4yD-5urbA:
2.70
5o4yE-5urbA:
12.14
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		5 LEU A 459
SER A 386
GLY A 402
GLY A 398
THR A 418
 None
None
None
FAD  A 701 ( 3.8A)
None
 0.96A 5o4yD-5wgxA:
undetectable
5o4yE-5wgxA:
undetectable		 5o4yD-5wgxA:
2.98
5o4yE-5wgxA:
11.26
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.
5wpw 11S GLOBULIN ISOFORM
1

(Cocos nucifera) 		no annotation 5 LEU A 335
ARG A 359
GLY A 396
GLU A 376
GLY A 360
 None
 1.20A 5o4yD-5wpwA:
undetectable
5o4yE-5wpwA:
undetectable		 5o4yD-5wpwA:
4.59
5o4yE-5wpwA:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		5 PHE A 228
LEU A 226
GLY A 197
VAL A 196
THR A 195
 None
 1.33A 5o4yD-5y4jA:
undetectable
5o4yE-5y4jA:
undetectable		 5o4yD-5y4jA:
2.66
5o4yE-5y4jA:
15.62
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.
5z9y THIAZOLE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 206
SER A 156
GLY A 163
GLY A 188
ARG A 212
 DXP  A 301 (-4.7A)
None
None
None
None
 1.34A 5o4yD-5z9yA:
undetectable
5o4yE-5z9yA:
undetectable		 5o4yD-5z9yA:
undetectable
5o4yE-5z9yA:
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.
6et7 DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 5 TRP A  96
GLY A 106
GLY A 243
VAL A 244
ARG A 294
 None
None
None
None
CL  A 702 (-4.5A)
 1.23A 5o4yD-6et7A:
undetectable
5o4yE-6et7A:
undetectable		 5o4yD-6et7A:
undetectable
5o4yE-6et7A:
undetectable