SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_Q_TFPQ202

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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASP A  71
SER A 106
PHE A  56
GLU A 191
ASP A 233
 None
None
None
CER  A 413 (-3.7A)
None
 1.42A 3ko0O-1b3nA:
undetectable
3ko0P-1b3nA:
undetectable
3ko0Q-1b3nA:
0.0
3ko0R-1b3nA:
0.1		 3ko0O-1b3nA:
12.50
3ko0P-1b3nA:
12.50
3ko0Q-1b3nA:
12.50
3ko0R-1b3nA:
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.
1b48 PROTEIN (GLUTATHIONE
S-TRANSFERASE)

(Mus musculus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PHE A 133
ASP A 177
SER A 176
LEU A 170
ILE A 124
 None
 1.30A 3ko0O-1b48A:
0.2
3ko0P-1b48A:
0.3
3ko0Q-1b48A:
0.0
3ko0R-1b48A:
0.3		 3ko0O-1b48A:
17.94
3ko0P-1b48A:
17.94
3ko0Q-1b48A:
17.94
3ko0R-1b48A:
17.94
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.
1pz3 ALPHA-L-ARABINOFURAN
OSIDASE

(Geobacillus
stearothermophilus) 		PF06964
(Alpha-L-AF_C) 		5 ASP A 482
LEU A 436
SER A 486
ILE A 423
ASP A 439
 None
 1.10A 3ko0O-1pz3A:
undetectable
3ko0P-1pz3A:
undetectable
3ko0Q-1pz3A:
undetectable
3ko0R-1pz3A:
undetectable		 3ko0O-1pz3A:
12.17
3ko0P-1pz3A:
12.17
3ko0Q-1pz3A:
12.17
3ko0R-1pz3A:
12.17
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.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 SER A 161
ILE A 119
PHE A 198
GLU A 117
ASP A 116
 None
 1.40A 3ko0O-1u08A:
undetectable
3ko0P-1u08A:
undetectable
3ko0Q-1u08A:
0.0
3ko0R-1u08A:
0.0		 3ko0O-1u08A:
13.17
3ko0P-1u08A:
13.17
3ko0Q-1u08A:
13.17
3ko0R-1u08A:
13.17
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.
1v38 SAM-DOMAIN PROTEIN
SAMSN-1

(Mus musculus) 		PF07647
(SAM_2) 		5 SER A   6
LEU A  32
ILE A  15
GLU A  37
ASP A  40
 None
 1.43A 3ko0O-1v38A:
undetectable
3ko0P-1v38A:
undetectable
3ko0Q-1v38A:
undetectable
3ko0R-1v38A:
undetectable		 3ko0O-1v38A:
20.37
3ko0P-1v38A:
20.37
3ko0Q-1v38A:
20.37
3ko0R-1v38A:
20.37
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.
1ybi NON-TOXIN
HAEMAGGLUTININ HA34

(Clostridium
botulinum) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 PHE A 140
SER A 135
LEU A 129
ILE A  82
ASP A 121
 None
 1.30A 3ko0O-1ybiA:
undetectable
3ko0P-1ybiA:
undetectable
3ko0Q-1ybiA:
undetectable
3ko0R-1ybiA:
undetectable		 3ko0O-1ybiA:
14.58
3ko0P-1ybiA:
14.58
3ko0Q-1ybiA:
14.58
3ko0R-1ybiA:
14.58
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.
1zzm PUTATIVE
DEOXYRIBONUCLEASE
YJJV

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 LEU A  25
SER A  24
ILE A  36
CYH A  10
ASP A  13
 None
 1.17A 3ko0O-1zzmA:
undetectable
3ko0P-1zzmA:
undetectable
3ko0Q-1zzmA:
0.0
3ko0R-1zzmA:
0.0		 3ko0O-1zzmA:
14.89
3ko0P-1zzmA:
14.89
3ko0Q-1zzmA:
14.89
3ko0R-1zzmA:
14.89
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.
2dg2 APOLIPOPROTEIN A-I
BINDING PROTEIN

(Mus musculus) 		PF03853
(YjeF_N) 		5 SER A 191
LEU A 207
SER A 186
ILE A  65
CYH A  97
 None
 1.41A 3ko0O-2dg2A:
undetectable
3ko0P-2dg2A:
undetectable
3ko0Q-2dg2A:
undetectable
3ko0R-2dg2A:
undetectable		 3ko0O-2dg2A:
15.35
3ko0P-2dg2A:
15.35
3ko0Q-2dg2A:
15.35
3ko0R-2dg2A:
15.35
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.
2o0r RV0858C
(N-SUCCINYLDIAMINOPI
MELATE
AMINOTRANSFERASE)

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		5 LEU A 176
SER A 177
ILE A 184
GLU A 180
ASP A 148
 None
CL  A 601 ( 4.1A)
None
None
None
 1.35A 3ko0O-2o0rA:
undetectable
3ko0P-2o0rA:
undetectable
3ko0Q-2o0rA:
0.0
3ko0R-2o0rA:
0.0		 3ko0O-2o0rA:
13.37
3ko0P-2o0rA:
13.37
3ko0Q-2o0rA:
13.37
3ko0R-2o0rA:
13.37
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.
2qhp FRUCTOKINASE

(Bacteroides
thetaiotaomicron) 		PF00294
(PfkB) 		5 LEU A 154
ILE A 184
PHE A 223
GLU A 180
ASP A 178
 None
 1.41A 3ko0O-2qhpA:
undetectable
3ko0P-2qhpA:
undetectable
3ko0Q-2qhpA:
0.0
3ko0R-2qhpA:
undetectable		 3ko0O-2qhpA:
16.61
3ko0P-2qhpA:
16.61
3ko0Q-2qhpA:
16.61
3ko0R-2qhpA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		5 PHE A 751
LEU A 738
ILE A 769
PHE A 705
ASP A 748
 None
 1.16A 3ko0O-2v26A:
undetectable
3ko0P-2v26A:
undetectable
3ko0Q-2v26A:
1.0
3ko0R-2v26A:
0.1		 3ko0O-2v26A:
9.24
3ko0P-2v26A:
9.24
3ko0Q-2v26A:
9.24
3ko0R-2v26A:
9.24
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.
2wn4 ADP-RIBOSYLTRANSFERA
SE ENZYMATIC
COMPONENT

(Clostridioides
difficile) 		PF03496
(ADPrib_exo_Tox) 		5 ASP A 141
LEU A 363
ILE A 398
PHE A 107
ASP A 402
 None
 1.18A 3ko0O-2wn4A:
undetectable
3ko0P-2wn4A:
undetectable
3ko0Q-2wn4A:
undetectable
3ko0R-2wn4A:
undetectable		 3ko0O-2wn4A:
13.10
3ko0P-2wn4A:
13.10
3ko0Q-2wn4A:
13.10
3ko0R-2wn4A:
13.10
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.
2wzf GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		5 PHE A 495
ASP A 295
SER A 497
LEU A 156
ILE A 168
 None
BGC  A1526 (-4.3A)
None
None
None
 1.47A 3ko0O-2wzfA:
undetectable
3ko0P-2wzfA:
undetectable
3ko0Q-2wzfA:
0.0
3ko0R-2wzfA:
0.0		 3ko0O-2wzfA:
11.39
3ko0P-2wzfA:
11.39
3ko0Q-2wzfA:
11.39
3ko0R-2wzfA:
11.39
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.
2yyv PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Thermotoga
maritima) 		PF04029
(2-ph_phosp) 		5 ASP A 208
SER A 118
LEU A 147
ILE A 182
PHE A 203
 None
 1.43A 3ko0O-2yyvA:
undetectable
3ko0P-2yyvA:
undetectable
3ko0Q-2yyvA:
0.0
3ko0R-2yyvA:
0.0		 3ko0O-2yyvA:
21.88
3ko0P-2yyvA:
21.88
3ko0Q-2yyvA:
21.88
3ko0R-2yyvA:
21.88
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.
3hwp PHLG

(Pseudomonas
protegens) 		no annotation 5 PHE A 240
ASP A 172
LEU A 181
SER A 178
ILE A  68
 None
 1.17A 3ko0O-3hwpA:
undetectable
3ko0P-3hwpA:
undetectable
3ko0Q-3hwpA:
undetectable
3ko0R-3hwpA:
undetectable		 3ko0O-3hwpA:
15.77
3ko0P-3hwpA:
15.77
3ko0Q-3hwpA:
15.77
3ko0R-3hwpA:
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.
3l15 TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-4

(Homo sapiens) 		no annotation 5 SER A 377
LEU A 230
SER A 331
ILE A 254
PHE A 251
 None
 1.12A 3ko0O-3l15A:
undetectable
3ko0P-3l15A:
undetectable
3ko0Q-3l15A:
undetectable
3ko0R-3l15A:
undetectable		 3ko0O-3l15A:
20.36
3ko0P-3l15A:
20.36
3ko0Q-3l15A:
20.36
3ko0R-3l15A:
20.36
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.
3lb6 INTERLEUKIN-13

(Homo sapiens) 		PF03487
(IL13) 		5 LEU A  83
SER A  82
ILE A  37
PHE A  70
GLU A  49
 None
 1.42A 3ko0O-3lb6A:
undetectable
3ko0P-3lb6A:
undetectable
3ko0Q-3lb6A:
undetectable
3ko0R-3lb6A:
undetectable		 3ko0O-3lb6A:
21.58
3ko0P-3lb6A:
21.58
3ko0Q-3lb6A:
21.58
3ko0R-3lb6A:
21.58
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.
3t79 KLLA0E03807P

(Kluyveromyces
lactis) 		PF16787
(NDC10_II) 		5 LEU A 340
SER A 343
ILE A 199
CYH A 197
PHE A 195
 None
 1.46A 3ko0O-3t79A:
undetectable
3ko0P-3t79A:
undetectable
3ko0Q-3t79A:
undetectable
3ko0R-3t79A:
undetectable		 3ko0O-3t79A:
13.68
3ko0P-3t79A:
13.68
3ko0Q-3t79A:
13.68
3ko0R-3t79A:
13.68
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.
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus sp.
RS-1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 318
LEU A  17
ILE A  19
PHE A 338
GLU A  53
 None
 1.46A 3ko0O-3u9iA:
undetectable
3ko0P-3u9iA:
undetectable
3ko0Q-3u9iA:
undetectable
3ko0R-3u9iA:
undetectable		 3ko0O-3u9iA:
13.30
3ko0P-3u9iA:
13.30
3ko0Q-3u9iA:
13.30
3ko0R-3u9iA:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 PHE A 291
SER A 260
LEU A 242
SER A 188
ILE A 236
 None
 1.44A 3ko0O-3upyA:
undetectable
3ko0P-3upyA:
undetectable
3ko0Q-3upyA:
undetectable
3ko0R-3upyA:
0.0		 3ko0O-3upyA:
12.68
3ko0P-3upyA:
12.68
3ko0Q-3upyA:
12.68
3ko0R-3upyA:
12.68
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 PHE A 291
SER A 260
SER A 188
ILE A 236
CYH A 172
 None
 1.39A 3ko0O-3upyA:
undetectable
3ko0P-3upyA:
undetectable
3ko0Q-3upyA:
undetectable
3ko0R-3upyA:
0.0		 3ko0O-3upyA:
12.68
3ko0P-3upyA:
12.68
3ko0Q-3upyA:
12.68
3ko0R-3upyA:
12.68
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 LEU A 365
ILE A 452
PHE A 459
GLU A 346
ASP A 427
 None
 1.42A 3ko0O-3wiqA:
undetectable
3ko0P-3wiqA:
undetectable
3ko0Q-3wiqA:
undetectable
3ko0R-3wiqA:
0.0		 3ko0O-3wiqA:
9.49
3ko0P-3wiqA:
9.49
3ko0Q-3wiqA:
9.49
3ko0R-3wiqA:
9.49
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 SER A 393
LEU A 365
PHE A 459
GLU A 346
ASP A 427
 None
 1.43A 3ko0O-3wiqA:
undetectable
3ko0P-3wiqA:
undetectable
3ko0Q-3wiqA:
undetectable
3ko0R-3wiqA:
0.0		 3ko0O-3wiqA:
9.49
3ko0P-3wiqA:
9.49
3ko0Q-3wiqA:
9.49
3ko0R-3wiqA:
9.49
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.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Sus scrofa) 		PF00063
(Myosin_head)
PF01353
(GFP) 		5 PHE A 751
LEU A 738
ILE A 769
PHE A 705
ASP A 748
 None
 1.24A 3ko0O-4anjA:
undetectable
3ko0P-4anjA:
undetectable
3ko0Q-4anjA:
undetectable
3ko0R-4anjA:
undetectable		 3ko0O-4anjA:
6.93
3ko0P-4anjA:
6.93
3ko0Q-4anjA:
6.93
3ko0R-4anjA:
6.93
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.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ASP A 363
SER A 361
LEU A  99
SER A  62
ILE A  73
 None
 1.34A 3ko0O-4ay1A:
undetectable
3ko0P-4ay1A:
undetectable
3ko0Q-4ay1A:
undetectable
3ko0R-4ay1A:
undetectable		 3ko0O-4ay1A:
13.70
3ko0P-4ay1A:
13.70
3ko0Q-4ay1A:
13.70
3ko0R-4ay1A:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Burkholderia
pseudomallei) 		no annotation 5 ASP A 173
SER A  79
LEU A  19
ILE A 210
ASP A 179
 None
 1.39A 3ko0O-4bqnA:
undetectable
3ko0P-4bqnA:
undetectable
3ko0Q-4bqnA:
undetectable
3ko0R-4bqnA:
undetectable		 3ko0O-4bqnA:
17.38
3ko0P-4bqnA:
17.38
3ko0Q-4bqnA:
17.38
3ko0R-4bqnA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 ASP A  89
SER A  92
LEU A 257
ILE A 313
PHE A 332
 None
 1.49A 3ko0O-4c2fA:
2.8
3ko0P-4c2fA:
2.8
3ko0Q-4c2fA:
2.9
3ko0R-4c2fA:
2.8		 3ko0O-4c2fA:
12.44
3ko0P-4c2fA:
12.44
3ko0Q-4c2fA:
12.44
3ko0R-4c2fA:
12.44
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.
4dth VGRG PROTEIN

(Vibrio cholerae) 		PF16671
(ACD) 		5 LEU A 347
SER A 349
ILE A  13
CYH A  84
ASP A  87
 None
 1.35A 3ko0O-4dthA:
undetectable
3ko0P-4dthA:
undetectable
3ko0Q-4dthA:
undetectable
3ko0R-4dthA:
undetectable		 3ko0O-4dthA:
13.44
3ko0P-4dthA:
13.44
3ko0Q-4dthA:
13.44
3ko0R-4dthA:
13.44
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 5 PHE A 426
ASP A 421
LEU A 727
SER A 729
ASP A 676
 None
 1.29A 3ko0O-4ecoA:
undetectable
3ko0P-4ecoA:
undetectable
3ko0Q-4ecoA:
undetectable
3ko0R-4ecoA:
undetectable		 3ko0O-4ecoA:
11.07
3ko0P-4ecoA:
11.07
3ko0Q-4ecoA:
11.07
3ko0R-4ecoA:
11.07
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.
4fid G PROTEIN ALPHA
SUBUNIT

(Entamoeba
histolytica) 		PF00503
(G-alpha) 		5 LEU A 228
SER A 231
ILE A 288
PHE A 252
GLU A 214
 None
 1.21A 3ko0O-4fidA:
undetectable
3ko0P-4fidA:
undetectable
3ko0Q-4fidA:
undetectable
3ko0R-4fidA:
undetectable		 3ko0O-4fidA:
15.16
3ko0P-4fidA:
15.16
3ko0Q-4fidA:
15.16
3ko0R-4fidA:
15.16
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.
4fid G PROTEIN ALPHA
SUBUNIT

(Entamoeba
histolytica) 		PF00503
(G-alpha) 		5 PHE A 208
LEU A 228
SER A 231
PHE A 252
GLU A 214
 None
 1.16A 3ko0O-4fidA:
undetectable
3ko0P-4fidA:
undetectable
3ko0Q-4fidA:
undetectable
3ko0R-4fidA:
undetectable		 3ko0O-4fidA:
15.16
3ko0P-4fidA:
15.16
3ko0Q-4fidA:
15.16
3ko0R-4fidA:
15.16
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.
4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ASP A 495
LEU A 596
ILE A 509
CYH A 512
PHE A 515
 1B2  A 802 (-3.6A)
None
None
None
None
 1.23A 3ko0O-4hwtA:
1.0
3ko0P-4hwtA:
0.9
3ko0Q-4hwtA:
0.2
3ko0R-4hwtA:
1.1		 3ko0O-4hwtA:
14.49
3ko0P-4hwtA:
14.49
3ko0Q-4hwtA:
14.49
3ko0R-4hwtA:
14.49
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 ASP D  72
SER D 107
PHE D  57
GLU D 192
ASP D 234
 None
 1.48A 3ko0O-4jrmD:
undetectable
3ko0P-4jrmD:
undetectable
3ko0Q-4jrmD:
undetectable
3ko0R-4jrmD:
undetectable		 3ko0O-4jrmD:
11.47
3ko0P-4jrmD:
11.47
3ko0Q-4jrmD:
11.47
3ko0R-4jrmD:
11.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 ASP A 291
LEU A  44
SER A  46
ILE A   8
ASP A 270
 None
 1.34A 3ko0O-4k37A:
undetectable
3ko0P-4k37A:
undetectable
3ko0Q-4k37A:
undetectable
3ko0R-4k37A:
undetectable		 3ko0O-4k37A:
15.14
3ko0P-4k37A:
15.14
3ko0Q-4k37A:
15.14
3ko0R-4k37A:
15.14
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 SER A 383
LEU A 355
PHE A 451
GLU A 336
ASP A 419
 None
 1.44A 3ko0O-4ktpA:
undetectable
3ko0P-4ktpA:
undetectable
3ko0Q-4ktpA:
undetectable
3ko0R-4ktpA:
undetectable		 3ko0O-4ktpA:
7.74
3ko0P-4ktpA:
7.74
3ko0Q-4ktpA:
7.74
3ko0R-4ktpA:
7.74
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.
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 3ko0O-4mndA:
undetectable
3ko0P-4mndA:
undetectable
3ko0Q-4mndA:
1.1
3ko0R-4mndA:
undetectable		 3ko0O-4mndA:
12.84
3ko0P-4mndA:
12.84
3ko0Q-4mndA:
12.84
3ko0R-4mndA:
12.84
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.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 SER A 310
LEU A 223
SER A 275
ILE A  11
ASP A 474
 OAA  A 602 ( 4.7A)
None
OAA  A 602 (-2.8A)
None
None
 1.48A 3ko0O-4nnbA:
undetectable
3ko0P-4nnbA:
undetectable
3ko0Q-4nnbA:
undetectable
3ko0R-4nnbA:
undetectable		 3ko0O-4nnbA:
10.93
3ko0P-4nnbA:
10.93
3ko0Q-4nnbA:
10.93
3ko0R-4nnbA:
10.93
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.
4nt9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 ASP B 160
LEU B  82
SER B 151
ILE B  74
PHE B 187
 ZN  B 301 (-2.5A)
None
ACT  B 302 (-2.6A)
None
None
 1.43A 3ko0O-4nt9B:
undetectable
3ko0P-4nt9B:
undetectable
3ko0Q-4nt9B:
undetectable
3ko0R-4nt9B:
undetectable		 3ko0O-4nt9B:
16.82
3ko0P-4nt9B:
16.82
3ko0Q-4nt9B:
16.82
3ko0R-4nt9B:
16.82
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.
4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 PHE A  65
LEU A  70
SER A  67
ILE A 292
GLU A 132
 UNX  A 408 ( 4.8A)
None
UNX  A 420 ( 3.0A)
None
UNX  A 420 ( 3.3A)
 1.19A 3ko0O-4pwyA:
undetectable
3ko0P-4pwyA:
undetectable
3ko0Q-4pwyA:
undetectable
3ko0R-4pwyA:
undetectable		 3ko0O-4pwyA:
18.85
3ko0P-4pwyA:
18.85
3ko0Q-4pwyA:
18.85
3ko0R-4pwyA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ASP A2537
LEU A2506
ILE A2526
PHE A2572
GLU A2530
 None
 1.43A 3ko0O-4rh7A:
undetectable
3ko0P-4rh7A:
undetectable
3ko0Q-4rh7A:
undetectable
3ko0R-4rh7A:
undetectable		 3ko0O-4rh7A:
2.91
3ko0P-4rh7A:
2.91
3ko0Q-4rh7A:
2.91
3ko0R-4rh7A:
2.91
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.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		5 PHE A 420
ASP A 346
SER A 363
SER A 368
ILE A 413
 None
 1.15A 3ko0O-4u3tA:
undetectable
3ko0P-4u3tA:
undetectable
3ko0Q-4u3tA:
undetectable
3ko0R-4u3tA:
undetectable		 3ko0O-4u3tA:
15.76
3ko0P-4u3tA:
15.76
3ko0Q-4u3tA:
15.76
3ko0R-4u3tA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 ASP A 467
LEU A 262
SER A 258
GLU A 261
ASP A 473
 None
 1.42A 3ko0O-4upiA:
undetectable
3ko0P-4upiA:
undetectable
3ko0Q-4upiA:
undetectable
3ko0R-4upiA:
undetectable		 3ko0O-4upiA:
10.66
3ko0P-4upiA:
10.66
3ko0Q-4upiA:
10.66
3ko0R-4upiA:
10.66
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 ASP A 593
LEU A 735
ILE A  21
PHE A 115
GLU A 724
 None
 1.27A 3ko0O-5ah5A:
undetectable
3ko0P-5ah5A:
undetectable
3ko0Q-5ah5A:
undetectable
3ko0R-5ah5A:
undetectable		 3ko0O-5ah5A:
7.86
3ko0P-5ah5A:
7.86
3ko0Q-5ah5A:
7.86
3ko0R-5ah5A:
7.86
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.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 ASP A 417
SER A 403
LEU A  26
ILE A  61
GLU A  23
 None
 1.28A 3ko0O-5cykA:
undetectable
3ko0P-5cykA:
undetectable
3ko0Q-5cykA:
undetectable
3ko0R-5cykA:
undetectable		 3ko0O-5cykA:
10.91
3ko0P-5cykA:
10.91
3ko0Q-5cykA:
10.91
3ko0R-5cykA:
10.91
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.
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
 1.40A 3ko0O-5iojA:
undetectable
3ko0P-5iojA:
undetectable
3ko0Q-5iojA:
undetectable
3ko0R-5iojA:
undetectable		 3ko0O-5iojA:
10.29
3ko0P-5iojA:
10.29
3ko0Q-5iojA:
10.29
3ko0R-5iojA:
10.29
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.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 PHE A 420
ASP A 346
SER A 363
SER A 368
ILE A 413
 None
 1.18A 3ko0O-5kshA:
undetectable
3ko0P-5kshA:
undetectable
3ko0Q-5kshA:
undetectable
3ko0R-5kshA:
undetectable		 3ko0O-5kshA:
10.70
3ko0P-5kshA:
10.70
3ko0Q-5kshA:
10.70
3ko0R-5kshA:
10.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 ASP A 799
SER A 766
LEU A  65
ILE A  94
GLU A 309
 None
None
CZA  A1002 (-4.1A)
None
None
 1.34A 3ko0O-5mpmA:
1.0
3ko0P-5mpmA:
undetectable
3ko0Q-5mpmA:
undetectable
3ko0R-5mpmA:
undetectable		 3ko0O-5mpmA:
24.47
3ko0P-5mpmA:
24.47
3ko0Q-5mpmA:
24.47
3ko0R-5mpmA:
24.47
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.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Gloeobacter
violaceus;
Mus musculus) 		no annotation 5 PHE A 295
SER A 240
LEU A 401
ILE A 405
PHE A 288
 None
 1.47A 3ko0O-5osbA:
1.5
3ko0P-5osbA:
1.5
3ko0Q-5osbA:
1.9
3ko0R-5osbA:
1.5		 3ko0O-5osbA:
15.94
3ko0P-5osbA:
15.94
3ko0Q-5osbA:
15.94
3ko0R-5osbA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uin FORMYLTRANSFERASE

(Salmonella
enterica) 		PF00551
(Formyl_trans_N)
PF13637
(Ank_4) 		5 PHE A 232
ASP A 235
LEU A 297
SER A 295
ILE A 275
 None
 1.29A 3ko0O-5uinA:
undetectable
3ko0P-5uinA:
0.7
3ko0Q-5uinA:
undetectable
3ko0R-5uinA:
undetectable		 3ko0O-5uinA:
13.03
3ko0P-5uinA:
13.03
3ko0Q-5uinA:
13.03
3ko0R-5uinA:
13.03
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens) 		no annotation 5 PHE B 296
SER B 241
LEU B 331
ILE B 335
PHE B 289
 None
 1.37A 3ko0O-6d6uB:
undetectable
3ko0P-6d6uB:
undetectable
3ko0Q-6d6uB:
1.9
3ko0R-6d6uB:
undetectable		 3ko0O-6d6uB:
20.39
3ko0P-6d6uB:
20.39
3ko0Q-6d6uB:
20.39
3ko0R-6d6uB:
20.39