SIMILAR PATTERNS OF AMINO ACIDS FOR 3M0W_C_P77C203

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.
1dys ENDOGLUCANASE

(Humicola
insolens) 		PF01341
(Glyco_hydro_6) 		5 ASP A  92
SER A  99
GLU A 137
LEU A 136
ASP A 180
 None
 1.18A 3m0wC-1dysA:
undetectable
3m0wD-1dysA:
undetectable
3m0wE-1dysA:
undetectable
3m0wF-1dysA:
undetectable		 3m0wC-1dysA:
16.23
3m0wD-1dysA:
16.23
3m0wE-1dysA:
16.23
3m0wF-1dysA:
16.23
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.
1gve AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 ASP A  20
SER A  27
PHE A  31
ILE A  39
LEU A  54
 None
 1.48A 3m0wC-1gveA:
undetectable
3m0wD-1gveA:
undetectable
3m0wE-1gveA:
undetectable
3m0wF-1gveA:
undetectable		 3m0wC-1gveA:
16.94
3m0wD-1gveA:
16.94
3m0wE-1gveA:
16.94
3m0wF-1gveA:
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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 SER A 227
PHE A 126
GLU A 112
LEU A 115
ASP A 122
 None
 1.41A 3m0wC-1htqA:
undetectable
3m0wD-1htqA:
undetectable
3m0wE-1htqA:
undetectable
3m0wF-1htqA:
undetectable		 3m0wC-1htqA:
11.67
3m0wD-1htqA:
11.67
3m0wE-1htqA:
11.67
3m0wF-1htqA:
11.67
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 ASP A 443
SER A 446
GLU A  39
LEU A 219
ASP A  42
 None
None
FAD  A 803 (-2.9A)
None
None
 1.44A 3m0wC-1yy5A:
undetectable
3m0wD-1yy5A:
undetectable
3m0wE-1yy5A:
undetectable
3m0wF-1yy5A:
undetectable		 3m0wC-1yy5A:
11.02
3m0wD-1yy5A:
11.02
3m0wE-1yy5A:
11.02
3m0wF-1yy5A:
11.02
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.
2a9f PUTATIVE MALIC
ENZYME
((S)-MALATE:NAD+
OXIDOREDUCTASE
(DECARBOXYLATING))

(Streptococcus
pyogenes) 		PF00390
(malic)
PF03949
(Malic_M) 		5 SER A 202
ILE A 139
GLU A 148
LEU A 136
ASP A 162
 None
 1.27A 3m0wC-2a9fA:
undetectable
3m0wD-2a9fA:
undetectable
3m0wE-2a9fA:
undetectable
3m0wF-2a9fA:
undetectable		 3m0wC-2a9fA:
15.68
3m0wD-2a9fA:
15.68
3m0wE-2a9fA:
15.68
3m0wF-2a9fA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 ASP X 349
PHE X   8
SER X  56
ILE X 181
LEU X 183
 None
 1.46A 3m0wC-2b5dX:
undetectable
3m0wD-2b5dX:
undetectable
3m0wE-2b5dX:
undetectable
3m0wF-2b5dX:
undetectable		 3m0wC-2b5dX:
12.21
3m0wD-2b5dX:
12.21
3m0wE-2b5dX:
12.21
3m0wF-2b5dX:
12.21
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.
2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1

(Homo sapiens) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 SER A 186
SER A 154
PHE A 156
ILE A 331
LEU A 151
 None
 1.21A 3m0wC-2c4kA:
undetectable
3m0wD-2c4kA:
undetectable
3m0wE-2c4kA:
undetectable
3m0wF-2c4kA:
undetectable		 3m0wC-2c4kA:
14.01
3m0wD-2c4kA:
14.01
3m0wE-2c4kA:
14.01
3m0wF-2c4kA:
14.01
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 ASP A 713
SER A 717
ILE A 580
LEU A 703
ASP A 705
 None
 1.43A 3m0wC-2c4mA:
undetectable
3m0wD-2c4mA:
undetectable
3m0wE-2c4mA:
0.4
3m0wF-2c4mA:
undetectable		 3m0wC-2c4mA:
9.02
3m0wD-2c4mA:
9.02
3m0wE-2c4mA:
9.02
3m0wF-2c4mA:
9.02
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.
2ji4 PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 2

(Homo sapiens) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 SER A 198
SER A 166
PHE A 168
ILE A 344
LEU A 163
 None
CL  A1369 (-3.8A)
None
None
None
 1.23A 3m0wC-2ji4A:
undetectable
3m0wD-2ji4A:
undetectable
3m0wE-2ji4A:
undetectable
3m0wF-2ji4A:
undetectable		 3m0wC-2ji4A:
15.34
3m0wD-2ji4A:
15.34
3m0wE-2ji4A:
15.34
3m0wF-2ji4A:
15.34
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.
2oxc PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX20

(Homo sapiens) 		PF00270
(DEAD) 		5 PHE A  64
PHE A  82
ILE A 153
LEU A 121
ASP A 122
 None
ADP  A 300 (-4.4A)
None
None
None
 1.32A 3m0wC-2oxcA:
undetectable
3m0wD-2oxcA:
undetectable
3m0wE-2oxcA:
undetectable
3m0wF-2oxcA:
undetectable		 3m0wC-2oxcA:
20.69
3m0wD-2oxcA:
20.69
3m0wE-2oxcA:
20.69
3m0wF-2oxcA:
20.69
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.
3apq DNAJ HOMOLOG
SUBFAMILY C MEMBER
10

(Mus musculus) 		PF00085
(Thioredoxin)
PF00226
(DnaJ) 		5 ASP A 176
PHE A 171
PHE A 228
ILE A 206
LEU A 148
 None
 1.46A 3m0wC-3apqA:
undetectable
3m0wD-3apqA:
undetectable
3m0wE-3apqA:
undetectable
3m0wF-3apqA:
undetectable		 3m0wC-3apqA:
19.76
3m0wD-3apqA:
19.76
3m0wE-3apqA:
19.76
3m0wF-3apqA:
19.76
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.
3b9j XANTHINE OXIDASE

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 SER B 240
ILE B 279
GLU B 244
LEU B 248
ASP B 247
 None
 1.35A 3m0wC-3b9jB:
undetectable
3m0wD-3b9jB:
undetectable
3m0wE-3b9jB:
undetectable
3m0wF-3b9jB:
undetectable		 3m0wC-3b9jB:
16.42
3m0wD-3b9jB:
16.42
3m0wE-3b9jB:
16.42
3m0wF-3b9jB:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cc8 PUTATIVE
METHYLTRANSFERASE

(Bacillus cereus) 		PF13489
(Methyltransf_23) 		5 ASP A 100
SER A 128
PHE A 218
LEU A 154
ASP A 155
 None
None
None
None
NI  A 231 (-4.2A)
 1.48A 3m0wC-3cc8A:
undetectable
3m0wD-3cc8A:
undetectable
3m0wE-3cc8A:
undetectable
3m0wF-3cc8A:
undetectable		 3m0wC-3cc8A:
19.02
3m0wD-3cc8A:
19.02
3m0wE-3cc8A:
19.02
3m0wF-3cc8A:
19.02
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.
3f41 PHYTASE

(Mitsuokella
multacida) 		PF14566
(PTPlike_phytase) 		5 SER A 106
PHE A 105
ILE A 113
GLU A 109
LEU A  68
 None
 1.38A 3m0wC-3f41A:
undetectable
3m0wD-3f41A:
undetectable
3m0wE-3f41A:
undetectable
3m0wF-3f41A:
undetectable		 3m0wC-3f41A:
10.59
3m0wD-3f41A:
10.59
3m0wE-3f41A:
10.59
3m0wF-3f41A:
10.59
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.
3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE

(Pseudomonas
putida) 		PF00180
(Iso_dh) 		5 ASP X 250
SER X 253
SER X 268
PHE X 281
GLU X 282
 NAI  X 401 ( 4.5A)
None
None
None
NAI  X 401 ( 3.2A)
 1.34A 3m0wC-3fmxX:
undetectable
3m0wD-3fmxX:
undetectable
3m0wE-3fmxX:
0.7
3m0wF-3fmxX:
0.7		 3m0wC-3fmxX:
13.41
3m0wD-3fmxX:
13.41
3m0wE-3fmxX:
13.41
3m0wF-3fmxX:
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.
3hdo HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Geobacter
metallireducens) 		PF00155
(Aminotran_1_2) 		5 SER A 289
SER A 163
ILE A 169
LEU A 182
ASP A 183
 None
 1.29A 3m0wC-3hdoA:
undetectable
3m0wD-3hdoA:
undetectable
3m0wE-3hdoA:
undetectable
3m0wF-3hdoA:
undetectable		 3m0wC-3hdoA:
14.33
3m0wD-3hdoA:
14.33
3m0wE-3hdoA:
14.33
3m0wF-3hdoA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3no2 UNCHARACTERIZED
PROTEIN

(Bacteroides
caccae) 		no annotation 5 SER A 187
SER A  59
PHE A  70
ILE A  35
LEU A  26
 None
 1.50A 3m0wC-3no2A:
undetectable
3m0wD-3no2A:
undetectable
3m0wE-3no2A:
undetectable
3m0wF-3no2A:
undetectable		 3m0wC-3no2A:
16.86
3m0wD-3no2A:
16.86
3m0wE-3no2A:
16.86
3m0wF-3no2A:
16.86
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.
3plr UDP-GLUCOSE
6-DEHYDROGENASE

(Klebsiella
pneumoniae) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 SER A 317
PHE A 211
ILE A 229
LEU A 384
ASP A 383
 None
 1.45A 3m0wC-3plrA:
undetectable
3m0wD-3plrA:
undetectable
3m0wE-3plrA:
undetectable
3m0wF-3plrA:
undetectable		 3m0wC-3plrA:
15.32
3m0wD-3plrA:
15.32
3m0wE-3plrA:
15.32
3m0wF-3plrA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 310
PHE A 311
ILE A 276
LEU A 107
ASP A 111
 None
 1.07A 3m0wC-3r11A:
undetectable
3m0wD-3r11A:
undetectable
3m0wE-3r11A:
undetectable
3m0wF-3r11A:
undetectable		 3m0wC-3r11A:
12.14
3m0wD-3r11A:
12.14
3m0wE-3r11A:
12.14
3m0wF-3r11A:
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.
3sqw ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 SER A 470
PHE A 126
ILE A 203
GLU A 199
LEU A 163
 ANP  A 800 (-3.7A)
ANP  A 800 (-3.5A)
None
ANP  A 800 ( 4.9A)
None
 1.39A 3m0wC-3sqwA:
undetectable
3m0wD-3sqwA:
undetectable
3m0wE-3sqwA:
undetectable
3m0wF-3sqwA:
undetectable		 3m0wC-3sqwA:
11.98
3m0wD-3sqwA:
11.98
3m0wE-3sqwA:
11.98
3m0wF-3sqwA:
11.98
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.
3t5o COMPLEMENT COMPONENT
C6

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00084
(Sushi)
PF00090
(TSP_1)
PF01823
(MACPF) 		5 ASP A 463
SER A 266
ILE A 295
LEU A 229
ASP A 228
 None
 1.47A 3m0wC-3t5oA:
undetectable
3m0wD-3t5oA:
undetectable
3m0wE-3t5oA:
undetectable
3m0wF-3t5oA:
undetectable		 3m0wC-3t5oA:
8.29
3m0wD-3t5oA:
8.29
3m0wE-3t5oA:
8.29
3m0wF-3t5oA:
8.29
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.
3t6q CD180 ANTIGEN
LYMPHOCYTE ANTIGEN
86

(Mus musculus) 		PF02221
(E1_DerP2_DerF2)
PF13855
(LRR_8) 		5 SER A 158
ILE C 120
GLU C 118
LEU C  74
ASP C  77
 None
None
GOL  C  12 ( 4.9A)
None
GOL  C   4 ( 4.1A)
 1.48A 3m0wC-3t6qA:
undetectable
3m0wD-3t6qA:
undetectable
3m0wE-3t6qA:
undetectable
3m0wF-3t6qA:
undetectable		 3m0wC-3t6qA:
11.99
3m0wD-3t6qA:
11.99
3m0wE-3t6qA:
11.99
3m0wF-3t6qA:
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 SER A 260
PHE A 291
SER A 188
ILE A 236
CYH A 172
 None
 1.36A 3m0wC-3upyA:
undetectable
3m0wD-3upyA:
undetectable
3m0wE-3upyA:
undetectable
3m0wF-3upyA:
undetectable		 3m0wC-3upyA:
12.75
3m0wD-3upyA:
12.75
3m0wE-3upyA:
12.75
3m0wF-3upyA:
12.75
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 ASP A 502
PHE A 533
PHE A 217
LEU A 258
ASP A 305
 None
 1.23A 3m0wC-4aefA:
undetectable
3m0wD-4aefA:
undetectable
3m0wE-4aefA:
undetectable
3m0wF-4aefA:
undetectable		 3m0wC-4aefA:
10.32
3m0wD-4aefA:
10.32
3m0wE-4aefA:
10.32
3m0wF-4aefA:
10.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASP A 316
PHE A 352
PHE A  18
LEU A  49
ASP A  97
 GOL  A1548 (-3.5A)
None
None
None
None
 1.11A 3m0wC-4aieA:
undetectable
3m0wD-4aieA:
undetectable
3m0wE-4aieA:
undetectable
3m0wF-4aieA:
undetectable		 3m0wC-4aieA:
11.71
3m0wD-4aieA:
11.71
3m0wE-4aieA:
11.71
3m0wF-4aieA:
11.71
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 SER B 631
ILE B 558
CYH B 561
GLU B 618
LEU B 621
 None
 1.33A 3m0wC-4g7eB:
undetectable
3m0wD-4g7eB:
1.6
3m0wE-4g7eB:
undetectable
3m0wF-4g7eB:
1.4		 3m0wC-4g7eB:
9.13
3m0wD-4g7eB:
9.13
3m0wE-4g7eB:
9.13
3m0wF-4g7eB:
9.13
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASP A  72
SER A 107
GLU A 192
LEU A 342
ASP A 234
 None
 1.48A 3m0wC-4jb6A:
undetectable
3m0wD-4jb6A:
0.0
3m0wE-4jb6A:
undetectable
3m0wF-4jb6A:
0.0		 3m0wC-4jb6A:
13.52
3m0wD-4jb6A:
13.52
3m0wE-4jb6A:
13.52
3m0wF-4jb6A:
13.52
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 ASP D  72
SER D 107
GLU D 192
LEU D 343
ASP D 234
 None
 1.46A 3m0wC-4jrmD:
undetectable
3m0wD-4jrmD:
undetectable
3m0wE-4jrmD:
undetectable
3m0wF-4jrmD:
0.0		 3m0wC-4jrmD:
11.11
3m0wD-4jrmD:
11.11
3m0wE-4jrmD:
11.11
3m0wF-4jrmD:
11.11
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.
4kr9 PROBABLE TRNA
SULFURTRANSFERASE

(Thermotoga
maritima) 		PF02568
(ThiI)
PF02926
(THUMP) 		5 ASP A 161
ILE A  67
CYH A 165
LEU A  61
ASP A  58
 None
 1.43A 3m0wC-4kr9A:
undetectable
3m0wD-4kr9A:
undetectable
3m0wE-4kr9A:
undetectable
3m0wF-4kr9A:
undetectable		 3m0wC-4kr9A:
12.24
3m0wD-4kr9A:
12.24
3m0wE-4kr9A:
12.24
3m0wF-4kr9A:
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.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		5 ASP A 296
SER A 300
SER A 308
ILE A 363
GLU A 362
 None
 1.36A 3m0wC-4mndA:
undetectable
3m0wD-4mndA:
undetectable
3m0wE-4mndA:
undetectable
3m0wF-4mndA:
undetectable		 3m0wC-4mndA:
12.66
3m0wD-4mndA:
12.66
3m0wE-4mndA:
12.66
3m0wF-4mndA:
12.66
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.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		5 ASP A 346
SER A 363
PHE A 420
SER A 368
ILE A 413
 None
 1.23A 3m0wC-4u3tA:
undetectable
3m0wD-4u3tA:
undetectable
3m0wE-4u3tA:
undetectable
3m0wF-4u3tA:
undetectable		 3m0wC-4u3tA:
15.96
3m0wD-4u3tA:
15.96
3m0wE-4u3tA:
15.96
3m0wF-4u3tA:
15.96
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.
4u5a SPOROZOITE MICRONEME
PROTEIN ESSENTIAL
FOR CELL TRAVERSAL

(Plasmodium
berghei) 		no annotation 5 PHE A 115
ILE A 138
CYH A 142
LEU A  57
ASP A  60
 None
 1.22A 3m0wC-4u5aA:
1.9
3m0wD-4u5aA:
1.8
3m0wE-4u5aA:
1.7
3m0wF-4u5aA:
1.8		 3m0wC-4u5aA:
19.80
3m0wD-4u5aA:
19.80
3m0wE-4u5aA:
19.80
3m0wF-4u5aA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 ASP A 169
PHE A 355
ILE A 360
GLU A 356
ASP A 281
 None
EDO  A 403 ( 4.8A)
None
None
None
 1.38A 3m0wC-4wzzA:
undetectable
3m0wD-4wzzA:
undetectable
3m0wE-4wzzA:
undetectable
3m0wF-4wzzA:
undetectable		 3m0wC-4wzzA:
15.05
3m0wD-4wzzA:
15.05
3m0wE-4wzzA:
15.05
3m0wF-4wzzA:
15.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Drosophila
melanogaster) 		PF07034
(ORC3_N) 		5 SER C 361
PHE C 362
ILE C 356
GLU C 592
LEU C 593
 None
 1.38A 3m0wC-4xgcC:
2.9
3m0wD-4xgcC:
3.6
3m0wE-4xgcC:
3.6
3m0wF-4xgcC:
3.6		 3m0wC-4xgcC:
8.82
3m0wD-4xgcC:
8.82
3m0wE-4xgcC:
8.82
3m0wF-4xgcC:
8.82
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.
5f3y ANKYRIN REPEAT AND
SAM
DOMAIN-CONTAINING
PROTEIN 4B
UNCONVENTIONAL
MYOSIN-VIIB

(Mus musculus) 		PF00784
(MyTH4)
no annotation 		5 SER A1198
SER A1229
ILE B 273
GLU A1267
LEU A1390
 None
 1.45A 3m0wC-5f3yA:
undetectable
3m0wD-5f3yA:
undetectable
3m0wE-5f3yA:
undetectable
3m0wF-5f3yA:
1.3		 3m0wC-5f3yA:
11.55
3m0wD-5f3yA:
11.55
3m0wE-5f3yA:
11.55
3m0wF-5f3yA:
11.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		no annotation 5 SER B 170
SER B 296
ILE B 305
LEU B 276
ASP B 275
 TCR  B 609 (-2.8A)
None
None
None
None
 1.25A 3m0wC-5fbhB:
undetectable
3m0wD-5fbhB:
undetectable
3m0wE-5fbhB:
undetectable
3m0wF-5fbhB:
undetectable		 3m0wC-5fbhB:
9.68
3m0wD-5fbhB:
9.68
3m0wE-5fbhB:
9.68
3m0wF-5fbhB:
9.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASP A  49
SER A  48
PHE A 361
ILE A 362
LEU A 388
 None
 1.35A 3m0wC-5fwmA:
undetectable
3m0wD-5fwmA:
undetectable
3m0wE-5fwmA:
undetectable
3m0wF-5fwmA:
undetectable		 3m0wC-5fwmA:
8.84
3m0wD-5fwmA:
8.84
3m0wE-5fwmA:
8.84
3m0wF-5fwmA:
8.84
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp) 		5 ASP A1382
PHE A1493
PHE A1377
ILE A1467
LEU A1473
 None
 1.46A 3m0wC-5hccA:
undetectable
3m0wD-5hccA:
undetectable
3m0wE-5hccA:
undetectable
3m0wF-5hccA:
undetectable		 3m0wC-5hccA:
8.32
3m0wD-5hccA:
8.32
3m0wE-5hccA:
8.32
3m0wF-5hccA:
8.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 ASP A 289
SER A 291
SER A 263
ILE A 328
GLU A 325
 None
 1.45A 3m0wC-5iojA:
undetectable
3m0wD-5iojA:
undetectable
3m0wE-5iojA:
undetectable
3m0wF-5iojA:
undetectable		 3m0wC-5iojA:
10.24
3m0wD-5iojA:
10.24
3m0wE-5iojA:
10.24
3m0wF-5iojA:
10.24
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.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ASP A 346
SER A 363
PHE A 420
SER A 368
ILE A 413
 None
 1.24A 3m0wC-5kshA:
undetectable
3m0wD-5kshA:
undetectable
3m0wE-5kshA:
undetectable
3m0wF-5kshA:
undetectable		 3m0wC-5kshA:
11.32
3m0wD-5kshA:
11.32
3m0wE-5kshA:
11.32
3m0wF-5kshA:
11.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4x UDP-GLUCOSE
6-DEHYDROGENASE

(Homo sapiens) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 SER A 316
PHE A 314
ILE A 353
LEU A 357
ASP A 359
 None
 1.42A 3m0wC-5w4xA:
undetectable
3m0wD-5w4xA:
undetectable
3m0wE-5w4xA:
undetectable
3m0wF-5w4xA:
undetectable		 3m0wC-5w4xA:
12.33
3m0wD-5w4xA:
12.33
3m0wE-5w4xA:
12.33
3m0wF-5w4xA:
12.33
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.
5yf0 -

(-) 		no annotation 6 SER A 231
PHE A  73
SER A 237
PHE A 240
ILE A 122
LEU A 253
 SAM  A 505 (-4.4A)
None
None
None
None
None
 1.35A 3m0wC-5yf0A:
undetectable
3m0wD-5yf0A:
undetectable
3m0wE-5yf0A:
undetectable
3m0wF-5yf0A:
undetectable		 3m0wC-5yf0A:
undetectable
3m0wD-5yf0A:
undetectable
3m0wE-5yf0A:
undetectable
3m0wF-5yf0A:
undetectable