SIMILAR PATTERNS OF AMINO ACIDS FOR 5AQY_A_ADNA1389_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dkg MOLECULAR CHAPERONE
DNAK

(Escherichia
coli) 		PF00012
(HSP70) 		6 GLY D 197
GLY D 229
LYS D 270
SER D 274
GLY D 342
ARG D 345
 None
 0.93A 5aqyA-1dkgD:
53.4		 5aqyA-1dkgD:
53.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		8 GLY A 201
GLY A 230
LYS A 271
ARG A 272
SER A 275
GLY A 339
SER A 340
ILE A 343
 ADP  A 383 (-3.6A)
ADP  A 383 (-3.2A)
ADP  A 383 (-2.6A)
ADP  A 383 (-3.5A)
ADP  A 383 (-2.6A)
ADP  A 383 (-3.2A)
ADP  A 383 (-3.5A)
ADP  A 383 ( 4.9A)
 0.93A 5aqyA-1hjoA:
59.2		 5aqyA-1hjoA:
99.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		9 GLY A 202
GLY A 230
GLU A 268
LYS A 271
ARG A 272
SER A 275
GLY A 339
SER A 340
ILE A 343
 ADP  A 383 (-3.2A)
ADP  A 383 (-3.2A)
ADP  A 383 (-3.5A)
ADP  A 383 (-2.6A)
ADP  A 383 (-3.5A)
ADP  A 383 (-2.6A)
ADP  A 383 (-3.2A)
ADP  A 383 (-3.5A)
ADP  A 383 ( 4.9A)
 0.22A 5aqyA-1hjoA:
59.2		 5aqyA-1hjoA:
99.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 229
GLY A 230
LYS A 271
SER A 275
SER A 340
ILE A 343
 None
ADP  A 383 (-3.2A)
ADP  A 383 (-2.6A)
ADP  A 383 (-2.6A)
ADP  A 383 (-3.5A)
ADP  A 383 ( 4.9A)
 1.41A 5aqyA-1hjoA:
59.2		 5aqyA-1hjoA:
99.47
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.
1jcf ROD
SHAPE-DETERMINING
PROTEIN MREB

(Thermotoga
maritima) 		PF06723
(MreB_Mbl) 		5 GLY A 156
GLY A 179
GLU A 204
LYS A 207
GLY A 286
 None
 0.66A 5aqyA-1jcfA:
28.0		 5aqyA-1jcfA:
29.88
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT

(Klebsiella
pneumoniae) 		PF08841
(DDR) 		5 GLY A 441
LYS A 464
GLY A 559
SER A 560
ILE A 566
 None
 0.70A 5aqyA-1nbwA:
14.8		 5aqyA-1nbwA:
23.48
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.
1u2v ACTIN-RELATED
PROTEIN 3

(Bos taurus) 		PF00022
(Actin) 		5 GLY A 171
GLY A 197
LYS A 228
GLY A 324
SER A 325
 ADP  A1001 (-4.0A)
ADP  A1001 (-3.2A)
ADP  A1001 (-3.3A)
ADP  A1001 (-3.3A)
ADP  A1001 (-4.2A)
 0.98A 5aqyA-1u2vA:
22.9		 5aqyA-1u2vA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xqs HEAT SHOCK 70 KDA
PROTEIN 1

(Homo sapiens) 		PF00012
(HSP70) 		9 GLY C 201
GLY C 230
LYS C 271
ARG C 272
SER C 275
GLY C 339
SER C 340
ARG C 342
ILE C 343
 AMP  C 401 ( 3.9A)
AMP  C 401 (-3.6A)
AMP  C 401 (-3.2A)
AMP  C 401 (-3.4A)
AMP  C 401 (-2.8A)
AMP  C 401 (-3.4A)
AMP  C 401 (-3.3A)
None
AMP  C 401 (-4.7A)
 1.04A 5aqyA-1xqsC:
3.2		 5aqyA-1xqsC:
50.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xqs HEAT SHOCK 70 KDA
PROTEIN 1

(Homo sapiens) 		PF00012
(HSP70) 		10 GLY C 202
GLY C 230
GLU C 268
LYS C 271
ARG C 272
SER C 275
GLY C 339
SER C 340
ARG C 342
ILE C 343
 AMP  C 401 (-3.7A)
AMP  C 401 (-3.6A)
AMP  C 401 (-3.0A)
AMP  C 401 (-3.2A)
AMP  C 401 (-3.4A)
AMP  C 401 (-2.8A)
AMP  C 401 (-3.4A)
AMP  C 401 (-3.3A)
None
AMP  C 401 (-4.7A)
 0.72A 5aqyA-1xqsC:
3.2		 5aqyA-1xqsC:
50.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xqs HEAT SHOCK 70 KDA
PROTEIN 1

(Homo sapiens) 		PF00012
(HSP70) 		7 GLY C 229
GLY C 230
GLU C 268
LYS C 271
SER C 275
SER C 340
ILE C 343
 None
AMP  C 401 (-3.6A)
AMP  C 401 (-3.0A)
AMP  C 401 (-3.2A)
AMP  C 401 (-2.8A)
AMP  C 401 (-3.3A)
AMP  C 401 (-4.7A)
 1.44A 5aqyA-1xqsC:
3.2		 5aqyA-1xqsC:
50.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xqs HEAT SHOCK 70 KDA
PROTEIN 1

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY C 230
GLU C 268
ARG C 272
GLY C 339
SER C 340
ARG C 342
 AMP  C 401 (-3.6A)
AMP  C 401 (-3.0A)
AMP  C 401 (-3.4A)
AMP  C 401 (-3.4A)
AMP  C 401 (-3.3A)
None
 1.46A 5aqyA-1xqsC:
3.2		 5aqyA-1xqsC:
50.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xzq PROBABLE TRNA
MODIFICATION GTPASE
TRME

(Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		5 GLY B  83
GLY B  84
GLU A 131
GLY B  12
ILE A 238
 None
 1.01A 5aqyA-1xzqB:
undetectable		 5aqyA-1xzqB:
17.88
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		6 GLY A 205
GLY A 234
LYS A 275
SER A 279
GLY A 343
ILE A 347
 ATP  A1002 (-3.5A)
ATP  A1002 (-3.6A)
ATP  A1002 (-2.6A)
ATP  A1002 (-2.9A)
ATP  A1002 (-3.3A)
None
 1.15A 5aqyA-2qxlA:
47.0		 5aqyA-2qxlA:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		6 GLY A 234
GLU A 272
LYS A 275
SER A 279
GLY A 343
ILE A 347
 ATP  A1002 (-3.6A)
ATP  A1002 (-3.5A)
ATP  A1002 (-2.6A)
ATP  A1002 (-2.9A)
ATP  A1002 (-3.3A)
None
 0.56A 5aqyA-2qxlA:
47.0		 5aqyA-2qxlA:
24.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v7y CHAPERONE PROTEIN
DNAK

(Geobacillus
kaustophilus) 		PF00012
(HSP70) 		8 GLY A 169
GLY A 198
LYS A 239
SER A 243
GLY A 311
SER A 312
ARG A 314
ILE A 315
 ADP  A1505 (-3.4A)
ADP  A1505 (-3.3A)
ADP  A1505 (-3.0A)
ADP  A1505 (-2.8A)
ADP  A1505 (-3.1A)
ADP  A1505 (-3.5A)
None
ADP  A1505 (-4.8A)
 1.11A 5aqyA-2v7yA:
50.1		 5aqyA-2v7yA:
38.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v7y CHAPERONE PROTEIN
DNAK

(Geobacillus
kaustophilus) 		PF00012
(HSP70) 		5 GLY A 170
GLY A 197
GLY A 311
SER A 312
ILE A 315
 ADP  A1505 (-3.5A)
None
ADP  A1505 (-3.1A)
ADP  A1505 (-3.5A)
ADP  A1505 (-4.8A)
 1.01A 5aqyA-2v7yA:
50.1		 5aqyA-2v7yA:
38.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v7y CHAPERONE PROTEIN
DNAK

(Geobacillus
kaustophilus) 		PF00012
(HSP70) 		8 GLY A 170
GLY A 198
GLU A 236
LYS A 239
SER A 243
GLY A 311
SER A 312
ILE A 315
 ADP  A1505 (-3.5A)
ADP  A1505 (-3.3A)
ADP  A1505 (-3.7A)
ADP  A1505 (-3.0A)
ADP  A1505 (-2.8A)
ADP  A1505 (-3.1A)
ADP  A1505 (-3.5A)
ADP  A1505 (-4.8A)
 0.56A 5aqyA-2v7yA:
50.1		 5aqyA-2v7yA:
38.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		7 GLU A 268
LYS A 271
ARG A 272
SER A 275
SER A 340
ARG A 342
ILE A 343
 ADP  A1383 (-2.9A)
ADP  A1383 (-1.9A)
ADP  A1383 (-4.0A)
ADP  A1383 (-2.8A)
ADP  A1383 (-3.5A)
None
ADP  A1383 ( 4.9A)
 0.79A 5aqyA-2v7zA:
57.0		 5aqyA-2v7zA:
63.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		8 GLY A 201
GLY A 230
LYS A 271
ARG A 272
SER A 275
GLY A 339
SER A 340
ILE A 343
 ADP  A1383 (-3.6A)
ADP  A1383 (-3.6A)
ADP  A1383 (-1.9A)
ADP  A1383 (-4.0A)
ADP  A1383 (-2.8A)
ADP  A1383 (-3.5A)
ADP  A1383 (-3.5A)
ADP  A1383 ( 4.9A)
 1.15A 5aqyA-2v7zA:
57.0		 5aqyA-2v7zA:
63.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		7 GLY A 201
LYS A 271
ARG A 272
SER A 275
SER A 340
ARG A 342
ILE A 343
 ADP  A1383 (-3.6A)
ADP  A1383 (-1.9A)
ADP  A1383 (-4.0A)
ADP  A1383 (-2.8A)
ADP  A1383 (-3.5A)
None
ADP  A1383 ( 4.9A)
 1.20A 5aqyA-2v7zA:
57.0		 5aqyA-2v7zA:
63.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		9 GLY A 202
GLY A 230
GLU A 268
LYS A 271
ARG A 272
SER A 275
GLY A 339
SER A 340
ILE A 343
 ADP  A1383 (-3.6A)
ADP  A1383 (-3.6A)
ADP  A1383 (-2.9A)
ADP  A1383 (-1.9A)
ADP  A1383 (-4.0A)
ADP  A1383 (-2.8A)
ADP  A1383 (-3.5A)
ADP  A1383 (-3.5A)
ADP  A1383 ( 4.9A)
 0.53A 5aqyA-2v7zA:
57.0		 5aqyA-2v7zA:
63.50
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.
3dwl ACTIN-RELATED
PROTEIN 3

(Schizosaccharomyces
pombe) 		PF00022
(Actin) 		5 GLY A 213
GLU A 238
LYS A 241
GLY A 335
SER A 336
 ATP  A 428 (-3.7A)
ATP  A 428 (-3.8A)
ATP  A 428 (-2.8A)
ATP  A 428 (-3.2A)
ATP  A 428 (-4.4A)
 0.63A 5aqyA-3dwlA:
20.6		 5aqyA-3dwlA:
24.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6

(Homo sapiens) 		PF00012
(HSP70) 		7 GLY A 203
GLY A 232
LYS A 273
SER A 277
GLY A 341
SER A 342
ILE A 345
 ADP  A 386 (-3.0A)
ADP  A 386 (-3.3A)
ADP  A 386 (-2.8A)
ADP  A 386 (-2.6A)
ADP  A 386 (-3.2A)
ADP  A 386 (-4.1A)
ADP  A 386 (-4.8A)
 1.05A 5aqyA-3fe1A:
21.9		 5aqyA-3fe1A:
84.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6

(Homo sapiens) 		PF00012
(HSP70) 		8 GLY A 204
GLY A 232
GLU A 270
LYS A 273
SER A 277
GLY A 341
SER A 342
ILE A 345
 ADP  A 386 (-3.2A)
ADP  A 386 (-3.3A)
ADP  A 386 (-3.7A)
ADP  A 386 (-2.8A)
ADP  A 386 (-2.6A)
ADP  A 386 (-3.2A)
ADP  A 386 (-4.1A)
ADP  A 386 (-4.8A)
 0.59A 5aqyA-3fe1A:
21.9		 5aqyA-3fe1A:
84.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6

(Homo sapiens) 		PF00012
(HSP70) 		7 GLY A 231
GLY A 232
GLU A 270
LYS A 273
SER A 277
SER A 342
ILE A 345
 None
ADP  A 386 (-3.3A)
ADP  A 386 (-3.7A)
ADP  A 386 (-2.8A)
ADP  A 386 (-2.6A)
ADP  A 386 (-4.1A)
ADP  A 386 (-4.8A)
 1.31A 5aqyA-3fe1A:
21.9		 5aqyA-3fe1A:
84.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 232
GLU A 270
LYS A 273
ARG A 274
SER A 277
ILE A 345
 ADP  A 386 (-3.3A)
ADP  A 386 (-3.7A)
ADP  A 386 (-2.8A)
None
ADP  A 386 (-2.6A)
ADP  A 386 (-4.8A)
 1.29A 5aqyA-3fe1A:
21.9		 5aqyA-3fe1A:
84.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 232
LYS A 273
SER A 277
SER A 342
ARG A 344
ILE A 345
 ADP  A 386 (-3.3A)
ADP  A 386 (-2.8A)
ADP  A 386 (-2.6A)
ADP  A 386 (-4.1A)
ADP  A 386 (-4.8A)
ADP  A 386 (-4.8A)
 0.81A 5aqyA-3fe1A:
21.9		 5aqyA-3fe1A:
84.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gl1 HEAT SHOCK PROTEIN
SSB1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		6 GLY A 204
GLY A 233
SER A 278
GLY A 342
SER A 343
ILE A 346
 None
 1.05A 5aqyA-3gl1A:
57.2		 5aqyA-3gl1A:
69.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gl1 HEAT SHOCK PROTEIN
SSB1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		7 GLY A 205
GLY A 233
LYS A 274
SER A 278
GLY A 342
SER A 343
ILE A 346
 None
 0.48A 5aqyA-3gl1A:
57.2		 5aqyA-3gl1A:
69.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		6 GLY A 217
GLY A 245
GLY A 356
SER A 357
ARG A 359
ILE A 360
 ADP  A 401 (-3.4A)
None
ADP  A 401 (-3.2A)
ADP  A 401 (-3.7A)
ADP  A 401 (-4.2A)
ADP  A 401 ( 4.9A)
 1.17A 5aqyA-3l4iA:
59.2		 5aqyA-3l4iA:
72.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		9 GLY A 217
GLY A 246
LYS A 288
ARG A 289
SER A 292
GLY A 356
SER A 357
ARG A 359
ILE A 360
 ADP  A 401 (-3.4A)
ADP  A 401 (-3.3A)
ADP  A 401 (-2.7A)
ADP  A 401 (-3.7A)
ADP  A 401 (-2.6A)
ADP  A 401 (-3.2A)
ADP  A 401 (-3.7A)
ADP  A 401 (-4.2A)
ADP  A 401 ( 4.9A)
 0.98A 5aqyA-3l4iA:
59.2		 5aqyA-3l4iA:
72.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		6 GLY A 218
GLY A 245
GLY A 356
SER A 357
ARG A 359
ILE A 360
 ADP  A 401 (-3.3A)
None
ADP  A 401 (-3.2A)
ADP  A 401 (-3.7A)
ADP  A 401 (-4.2A)
ADP  A 401 ( 4.9A)
 1.09A 5aqyA-3l4iA:
59.2		 5aqyA-3l4iA:
72.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		10 GLY A 218
GLY A 246
GLU A 285
LYS A 288
ARG A 289
SER A 292
GLY A 356
SER A 357
ARG A 359
ILE A 360
 ADP  A 401 (-3.3A)
ADP  A 401 (-3.3A)
ADP  A 401 (-2.6A)
ADP  A 401 (-2.7A)
ADP  A 401 (-3.7A)
ADP  A 401 (-2.6A)
ADP  A 401 (-3.2A)
ADP  A 401 (-3.7A)
ADP  A 401 (-4.2A)
ADP  A 401 ( 4.9A)
 0.56A 5aqyA-3l4iA:
59.2		 5aqyA-3l4iA:
72.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		6 GLY A 245
GLY A 246
LYS A 288
SER A 292
SER A 357
ILE A 360
 None
ADP  A 401 (-3.3A)
ADP  A 401 (-2.7A)
ADP  A 401 (-2.6A)
ADP  A 401 (-3.7A)
ADP  A 401 ( 4.9A)
 1.45A 5aqyA-3l4iA:
59.2		 5aqyA-3l4iA:
72.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ldo 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		7 GLY A 226
GLY A 255
LYS A 296
SER A 300
GLY A 364
SER A 365
ILE A 368
 ANP  A 408 (-3.4A)
ANP  A 408 (-3.4A)
ANP  A 408 (-3.1A)
ANP  A 408 (-2.6A)
ANP  A 408 (-3.1A)
ANP  A 408 (-3.9A)
ANP  A 408 (-4.8A)
 1.02A 5aqyA-3ldoA:
56.3		 5aqyA-3ldoA:
66.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ldo 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		8 GLY A 227
GLY A 255
GLU A 293
LYS A 296
SER A 300
GLY A 364
SER A 365
ILE A 368
 ANP  A 408 (-3.4A)
ANP  A 408 (-3.4A)
ANP  A 408 (-2.5A)
ANP  A 408 (-3.1A)
ANP  A 408 (-2.6A)
ANP  A 408 (-3.1A)
ANP  A 408 (-3.9A)
ANP  A 408 (-4.8A)
 0.53A 5aqyA-3ldoA:
56.3		 5aqyA-3ldoA:
66.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ldo 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 227
GLY A 255
GLY A 364
SER A 365
ILE A 371
 ANP  A 408 (-3.4A)
ANP  A 408 (-3.4A)
ANP  A 408 (-3.1A)
ANP  A 408 (-3.9A)
None
 0.99A 5aqyA-3ldoA:
56.3		 5aqyA-3ldoA:
66.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ldo 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 254
GLY A 255
LYS A 296
SER A 300
SER A 365
ILE A 368
 None
ANP  A 408 (-3.4A)
ANP  A 408 (-3.1A)
ANP  A 408 (-2.6A)
ANP  A 408 (-3.9A)
ANP  A 408 (-4.8A)
 1.35A 5aqyA-3ldoA:
56.3		 5aqyA-3ldoA:
66.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ldo 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		7 GLY A 255
GLU A 293
LYS A 296
SER A 300
SER A 365
ARG A 367
ILE A 368
 ANP  A 408 (-3.4A)
ANP  A 408 (-2.5A)
ANP  A 408 (-3.1A)
ANP  A 408 (-2.6A)
ANP  A 408 (-3.9A)
ANP  A 408 (-4.9A)
ANP  A 408 (-4.8A)
 0.86A 5aqyA-3ldoA:
56.3		 5aqyA-3ldoA:
66.24
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 GLY A 240
GLY A 270
GLY A 259
SER A 290
ILE A 323
 None
 0.93A 5aqyA-3n6zA:
undetectable		 5aqyA-3n6zA:
22.66
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.
3nu1 HEMIN-BINDING
PERIPLASMIC PROTEIN

(Yersinia pestis) 		PF01497
(Peripla_BP_2) 		5 GLY A 259
GLY A 261
GLU A 263
GLY A  34
ILE A  39
 None
 0.81A 5aqyA-3nu1A:
2.1		 5aqyA-3nu1A:
24.55
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.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  93
GLY A  16
SER A 133
GLY A 211
SER A 212
 FAY  A 600 (-3.2A)
FAY  A 600 (-3.2A)
None
None
None
 0.99A 5aqyA-3q9tA:
undetectable		 5aqyA-3q9tA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qml 78 KDA
GLUCOSE-REGULATED
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		6 GLU A 313
LYS A 316
ARG A 317
SER A 320
ARG A 387
ILE A 388
 PO4  A   4 (-2.9A)
PO4  A   4 (-2.9A)
None
None
None
None
 1.14A 5aqyA-3qmlA:
27.2		 5aqyA-3qmlA:
62.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qml 78 KDA
GLUCOSE-REGULATED
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		7 GLU A 313
LYS A 316
SER A 320
GLY A 384
SER A 385
ARG A 387
ILE A 388
 PO4  A   4 (-2.9A)
PO4  A   4 (-2.9A)
None
None
None
None
None
 0.65A 5aqyA-3qmlA:
27.2		 5aqyA-3qmlA:
62.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qml 78 KDA
GLUCOSE-REGULATED
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		7 GLY A 246
GLY A 275
SER A 320
GLY A 384
SER A 385
ARG A 387
ILE A 388
 PO4  A   2 (-3.7A)
PO4  A   4 ( 4.8A)
None
None
None
None
None
 1.07A 5aqyA-3qmlA:
27.2		 5aqyA-3qmlA:
62.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qml 78 KDA
GLUCOSE-REGULATED
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		8 GLY A 247
GLY A 275
LYS A 316
SER A 320
GLY A 384
SER A 385
ARG A 387
ILE A 388
 PO4  A   2 (-3.3A)
PO4  A   4 ( 4.8A)
PO4  A   4 (-2.9A)
None
None
None
None
None
 0.62A 5aqyA-3qmlA:
27.2		 5aqyA-3qmlA:
62.84
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.
3wqu CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 GLY A 232
GLU A 251
LYS A 254
GLY A 325
SER A 326
 ATP  A 501 (-3.5A)
ATP  A 501 (-2.6A)
ATP  A 501 (-2.8A)
ATP  A 501 (-2.9A)
ATP  A 501 (-3.7A)
 0.82A 5aqyA-3wquA:
21.1		 5aqyA-3wquA:
23.56
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.
3wt0 CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 GLY A 232
GLU A 251
LYS A 254
GLY A 325
SER A 326
 ATP  A 400 (-3.5A)
ATP  A 400 (-2.8A)
ATP  A 400 (-2.5A)
ATP  A 400 (-3.2A)
ATP  A 400 (-3.7A)
 0.81A 5aqyA-3wt0A:
21.0		 5aqyA-3wt0A:
23.73
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.
3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 GLY A 214
GLY A 215
ARG A 135
GLY A  56
SER A  57
 CL  A 501 (-3.6A)
CL  A 502 ( 4.0A)
None
None
CL  A 502 ( 3.2A)
 1.01A 5aqyA-3zx2A:
4.0		 5aqyA-3zx2A:
20.68
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.
4cze ROD
SHAPE-DETERMINING
PROTEIN MREB

(Caulobacter
vibrioides) 		PF06723
(MreB_Mbl) 		5 GLY A 165
GLY A 188
GLU A 213
LYS A 216
GLY A 295
 PO4  A1334 (-3.7A)
None
None
None
None
 0.85A 5aqyA-4czeA:
26.8		 5aqyA-4czeA:
25.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		6 GLY A 213
GLY A 242
LYS A 285
ARG A 286
SER A 289
GLY A 353
 ATP  A 502 (-3.4A)
ATP  A 502 (-3.3A)
ATP  A 502 (-2.8A)
ATP  A 502 (-4.6A)
ATP  A 502 (-2.6A)
ATP  A 502 (-3.2A)
 1.13A 5aqyA-4gniA:
17.4		 5aqyA-4gniA:
33.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		6 GLY A 214
GLY A 242
GLU A 282
LYS A 285
SER A 289
GLY A 353
 ATP  A 502 (-3.6A)
ATP  A 502 (-3.3A)
ATP  A 502 (-3.6A)
ATP  A 502 (-2.8A)
ATP  A 502 (-2.6A)
ATP  A 502 (-3.2A)
 0.68A 5aqyA-4gniA:
17.4		 5aqyA-4gniA:
33.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		6 GLY A 214
GLY A 242
LYS A 285
ARG A 286
SER A 289
GLY A 353
 ATP  A 502 (-3.6A)
ATP  A 502 (-3.3A)
ATP  A 502 (-2.8A)
ATP  A 502 (-4.6A)
ATP  A 502 (-2.6A)
ATP  A 502 (-3.2A)
 0.55A 5aqyA-4gniA:
17.4		 5aqyA-4gniA:
33.01
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.
4h3t CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Acidimicrobium
ferrooxidans) 		PF09481
(CRISPR_Cse1) 		5 GLY A 192
GLY A 168
GLY A 259
ARG A 261
ILE A 262
 GOL  A 602 ( 4.8A)
None
None
None
None
 0.99A 5aqyA-4h3tA:
undetectable		 5aqyA-4h3tA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 202
SER A 275
GLY A 339
SER A 340
ARG A 342
 None
 0.91A 5aqyA-4hwiA:
58.4		 5aqyA-4hwiA:
85.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 229
GLY A 230
LYS A 271
SER A 275
SER A 340
ILE A 343
 None
 1.29A 5aqyA-4hwiA:
58.4		 5aqyA-4hwiA:
85.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 229
GLY A 339
SER A 340
ARG A 342
ILE A 343
 None
 0.93A 5aqyA-4hwiA:
58.4		 5aqyA-4hwiA:
85.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		7 GLY A 230
LYS A 271
SER A 275
GLY A 339
SER A 340
ARG A 342
ILE A 343
 None
 0.22A 5aqyA-4hwiA:
58.4		 5aqyA-4hwiA:
85.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		8 GLY A 201
LYS A 271
ARG A 272
SER A 275
GLY A 339
SER A 340
ARG A 342
ILE A 343
 ADP  A 601 (-2.9A)
ADP  A 601 (-2.5A)
ADP  A 601 ( 3.7A)
ADP  A 601 (-2.7A)
ADP  A 601 (-3.2A)
ADP  A 601 (-3.4A)
ADP  A 601 (-4.5A)
None
 1.08A 5aqyA-4j8fA:
28.7		 5aqyA-4j8fA:
73.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		6 GLY A 202
GLU A 268
ARG A 272
GLY A 339
SER A 340
ARG A 342
 ADP  A 601 (-3.4A)
ADP  A 601 ( 3.0A)
ADP  A 601 ( 3.7A)
ADP  A 601 (-3.2A)
ADP  A 601 (-3.4A)
ADP  A 601 (-4.5A)
 1.30A 5aqyA-4j8fA:
28.7		 5aqyA-4j8fA:
73.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		10 GLY A 202
GLY A 230
GLU A 268
LYS A 271
ARG A 272
SER A 275
GLY A 339
SER A 340
ARG A 342
ILE A 343
 ADP  A 601 (-3.4A)
ADP  A 601 (-3.4A)
ADP  A 601 ( 3.0A)
ADP  A 601 (-2.5A)
ADP  A 601 ( 3.7A)
ADP  A 601 (-2.7A)
ADP  A 601 (-3.2A)
ADP  A 601 (-3.4A)
ADP  A 601 (-4.5A)
None
 0.67A 5aqyA-4j8fA:
28.7		 5aqyA-4j8fA:
73.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		6 GLY A 229
GLY A 230
LYS A 271
SER A 275
SER A 340
ILE A 343
 None
ADP  A 601 (-3.4A)
ADP  A 601 (-2.5A)
ADP  A 601 (-2.7A)
ADP  A 601 (-3.4A)
None
 1.38A 5aqyA-4j8fA:
28.7		 5aqyA-4j8fA:
73.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kbo STRESS-70 PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 246
GLY A 275
LYS A 316
SER A 320
GLY A 388
ARG A 391
 None
 1.20A 5aqyA-4kboA:
53.6		 5aqyA-4kboA:
52.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kbo STRESS-70 PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 247
GLY A 275
LYS A 316
SER A 320
GLY A 388
 None
 0.46A 5aqyA-4kboA:
53.6		 5aqyA-4kboA:
52.62
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.
4pfb C4-DICARBOXYLATE-BIN
DING PROTEIN

(Fusobacterium
nucleatum) 		PF03480
(DctP) 		5 GLY A 233
GLY A 146
GLY A 208
SER A 209
ILE A 210
 None
 0.94A 5aqyA-4pfbA:
undetectable		 5aqyA-4pfbA:
23.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rtf CHAPERONE PROTEIN
DNAK

(Mycobacterium
tuberculosis) 		PF00012
(HSP70) 		7 GLY D 172
GLY D 201
LYS D 242
SER D 246
GLY D 315
SER D 316
ARG D 318
 ATP  D 601 ( 3.9A)
None
None
None
None
None
None
 1.07A 5aqyA-4rtfD:
48.5		 5aqyA-4rtfD:
35.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rtf CHAPERONE PROTEIN
DNAK

(Mycobacterium
tuberculosis) 		PF00012
(HSP70) 		8 GLY D 173
GLY D 201
GLU D 239
LYS D 242
SER D 246
GLY D 315
SER D 316
ARG D 318
 None
 0.86A 5aqyA-4rtfD:
48.5		 5aqyA-4rtfD:
35.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 226
GLY A 254
GLU A 256
GLY A 364
SER A 365
ILE A 368
 ATP  A 801 (-3.3A)
None
None
ATP  A 801 (-3.1A)
ATP  A 801 (-3.8A)
ATP  A 801 (-4.7A)
 1.43A 5aqyA-5e84A:
51.1		 5aqyA-5e84A:
48.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 226
GLY A 254
GLY A 364
SER A 365
ARG A 367
ILE A 368
 ATP  A 801 (-3.3A)
None
ATP  A 801 (-3.1A)
ATP  A 801 (-3.8A)
ATP  A 801 (-4.1A)
ATP  A 801 (-4.7A)
 1.22A 5aqyA-5e84A:
51.1		 5aqyA-5e84A:
48.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		9 GLY A 226
GLY A 255
LYS A 296
ARG A 297
SER A 300
GLY A 364
SER A 365
ARG A 367
ILE A 368
 ATP  A 801 (-3.3A)
ATP  A 801 (-3.5A)
ATP  A 801 (-2.7A)
ATP  A 801 (-3.8A)
ATP  A 801 (-2.6A)
ATP  A 801 (-3.1A)
ATP  A 801 (-3.8A)
ATP  A 801 (-4.1A)
ATP  A 801 (-4.7A)
 0.99A 5aqyA-5e84A:
51.1		 5aqyA-5e84A:
48.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 227
GLY A 254
GLY A 364
SER A 365
ARG A 367
ILE A 368
 ATP  A 801 (-3.8A)
None
ATP  A 801 (-3.1A)
ATP  A 801 (-3.8A)
ATP  A 801 (-4.1A)
ATP  A 801 (-4.7A)
 1.07A 5aqyA-5e84A:
51.1		 5aqyA-5e84A:
48.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		10 GLY A 227
GLY A 255
GLU A 293
LYS A 296
ARG A 297
SER A 300
GLY A 364
SER A 365
ARG A 367
ILE A 368
 ATP  A 801 (-3.8A)
ATP  A 801 (-3.5A)
ATP  A 801 (-2.5A)
ATP  A 801 (-2.7A)
ATP  A 801 (-3.8A)
ATP  A 801 (-2.6A)
ATP  A 801 (-3.1A)
ATP  A 801 (-3.8A)
ATP  A 801 (-4.1A)
ATP  A 801 (-4.7A)
 0.54A 5aqyA-5e84A:
51.1		 5aqyA-5e84A:
48.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 254
GLY A 255
LYS A 296
SER A 300
SER A 365
ILE A 368
 None
ATP  A 801 (-3.5A)
ATP  A 801 (-2.7A)
ATP  A 801 (-2.6A)
ATP  A 801 (-3.8A)
ATP  A 801 (-4.7A)
 1.45A 5aqyA-5e84A:
51.1		 5aqyA-5e84A:
48.44
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.
5eq6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILM

(Pseudomonas
aeruginosa) 		PF11104
(PilM_2) 		5 GLY A 201
GLY A 225
LYS A 247
GLY A 296
ILE A 300
 ANP  A 401 (-3.1A)
ANP  A 401 ( 4.8A)
ANP  A 401 (-3.1A)
ANP  A 401 (-3.2A)
ANP  A 401 (-4.3A)
 0.94A 5aqyA-5eq6A:
8.3		 5aqyA-5eq6A:
24.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2

(Homo sapiens) 		PF00012
(HSP70) 		8 GLY A 203
GLY A 232
LYS A 273
SER A 277
GLY A 341
SER A 342
ARG A 344
ILE A 345
 None
None
KYD  A1386 ( 3.8A)
KYD  A1386 (-1.9A)
KYD  A1386 (-3.7A)
KYD  A1386 ( 4.3A)
KYD  A1386 (-4.3A)
KYD  A1386 ( 4.2A)
 1.05A 5aqyA-5fpnA:
60.3		 5aqyA-5fpnA:
53.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 204
GLY A 231
GLY A 341
SER A 342
ILE A 348
 None
None
KYD  A1386 (-3.7A)
KYD  A1386 ( 4.3A)
None
 0.98A 5aqyA-5fpnA:
60.3		 5aqyA-5fpnA:
53.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 204
GLY A 232
GLY A 341
SER A 342
ILE A 348
 None
None
KYD  A1386 (-3.7A)
KYD  A1386 ( 4.3A)
None
 0.93A 5aqyA-5fpnA:
60.3		 5aqyA-5fpnA:
53.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 204
GLY A 232
LYS A 273
ARG A 274
SER A 277
ILE A 345
 None
None
KYD  A1386 ( 3.8A)
None
KYD  A1386 (-1.9A)
KYD  A1386 ( 4.2A)
 0.78A 5aqyA-5fpnA:
60.3		 5aqyA-5fpnA:
53.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2

(Homo sapiens) 		PF00012
(HSP70) 		8 GLY A 204
GLY A 232
LYS A 273
SER A 277
GLY A 341
SER A 342
ARG A 344
ILE A 345
 None
None
KYD  A1386 ( 3.8A)
KYD  A1386 (-1.9A)
KYD  A1386 (-3.7A)
KYD  A1386 ( 4.3A)
KYD  A1386 (-4.3A)
KYD  A1386 ( 4.2A)
 0.50A 5aqyA-5fpnA:
60.3		 5aqyA-5fpnA:
53.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2

(Homo sapiens) 		PF00012
(HSP70) 		6 GLY A 231
GLY A 232
LYS A 273
SER A 277
SER A 342
ILE A 345
 None
None
KYD  A1386 ( 3.8A)
KYD  A1386 (-1.9A)
KYD  A1386 ( 4.3A)
KYD  A1386 ( 4.2A)
 1.28A 5aqyA-5fpnA:
60.3		 5aqyA-5fpnA:
53.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5isx GRAMICIDIN S
SYNTHASE 1

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		5 GLY A 910
GLY A 758
SER A 760
ARG A 762
ILE A 763
 None
PNS  A1200 (-4.3A)
None
None
None
 0.88A 5aqyA-5isxA:
undetectable		 5aqyA-5isxA:
21.66
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.
5jyg ACTIN-LIKE ATPASE

(Magnetospirillum
magneticum) 		PF06723
(MreB_Mbl) 		6 GLY A 163
GLY A 189
LYS A 218
SER A 222
GLY A 289
ILE A 293
 ADP  A 402 (-3.5A)
None
ADP  A 402 (-3.1A)
ADP  A 402 (-3.5A)
ADP  A 402 (-3.2A)
None
 1.36A 5aqyA-5jygA:
20.7		 5aqyA-5jygA:
26.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ly3 ACTIN/ACTIN FAMILY
PROTEIN

(Pyrobaculum
calidifontis) 		PF00022
(Actin) 		5 GLY A 208
GLU A 235
LYS A 238
ARG A 239
GLY A 354
 ADP  A 501 (-3.4A)
ADP  A 501 (-2.7A)
ADP  A 501 (-2.8A)
ADP  A 501 (-3.4A)
ADP  A 501 (-3.1A)
 0.94A 5aqyA-5ly3A:
23.5		 5aqyA-5ly3A:
24.18
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.
5mb9 PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		6 GLY A 213
GLY A 242
LYS A 285
ARG A 286
SER A 289
GLY A 353
 ATP  A 700 (-3.5A)
ATP  A 700 (-3.5A)
ATP  A 700 (-2.9A)
None
ATP  A 700 (-2.4A)
ATP  A 700 (-3.2A)
 1.11A 5aqyA-5mb9A:
46.7		 5aqyA-5mb9A:
25.13
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.
5mb9 PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		7 GLY A 214
GLY A 242
GLU A 282
LYS A 285
ARG A 286
SER A 289
GLY A 353
 ATP  A 700 (-3.2A)
ATP  A 700 (-3.5A)
ATP  A 700 (-3.5A)
ATP  A 700 (-2.9A)
None
ATP  A 700 (-2.4A)
ATP  A 700 (-3.2A)
 0.78A 5aqyA-5mb9A:
46.7		 5aqyA-5mb9A:
25.13
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.
5obu CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 7 GLY A 179
GLY A 208
LYS A 250
SER A 254
GLY A 322
SER A 323
ARG A 325
 ANP  A 602 (-3.3A)
ANP  A 602 (-3.3A)
ANP  A 602 (-2.8A)
ANP  A 602 (-2.7A)
ANP  A 602 (-3.2A)
ANP  A 602 (-3.6A)
None
 1.09A 5aqyA-5obuA:
50.2		 5aqyA-5obuA:
12.02
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.
5obu CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 7 GLY A 180
GLY A 208
GLU A 247
LYS A 250
SER A 254
GLY A 322
SER A 323
 ANP  A 602 (-3.4A)
ANP  A 602 (-3.3A)
ANP  A 602 (-3.5A)
ANP  A 602 (-2.8A)
ANP  A 602 (-2.7A)
ANP  A 602 (-3.2A)
ANP  A 602 (-3.6A)
 0.58A 5aqyA-5obuA:
50.2		 5aqyA-5obuA:
12.02
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.
5obw CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 7 GLY A 179
GLY A 208
LYS A 250
SER A 254
GLY A 322
SER A 323
ARG A 325
 ADP  A 402 (-3.3A)
ADP  A 402 (-3.3A)
ADP  A 402 (-2.9A)
ADP  A 402 (-2.7A)
ADP  A 402 (-3.2A)
ADP  A 402 (-3.6A)
None
 1.12A 5aqyA-5obwA:
18.0		 5aqyA-5obwA:
12.02
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.
5obw CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 7 GLY A 180
GLY A 208
GLU A 247
LYS A 250
SER A 254
GLY A 322
SER A 323
 ADP  A 402 (-3.5A)
ADP  A 402 (-3.3A)
ADP  A 402 (-3.6A)
ADP  A 402 (-2.9A)
ADP  A 402 (-2.7A)
ADP  A 402 (-3.2A)
ADP  A 402 (-3.6A)
 0.57A 5aqyA-5obwA:
18.0		 5aqyA-5obwA:
12.02
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.
5oow CHAPERONE PROTEIN
DNAK

(Escherichia
coli) 		no annotation 6 GLY A 197
GLY A 229
GLU A 267
LYS A 270
SER A 274
GLY A 342
 ACP  A 401 (-3.0A)
ACP  A 401 ( 3.7A)
ACP  A 401 (-2.9A)
ACP  A 401 (-2.6A)
ACP  A 401 (-2.3A)
ACP  A 401 (-3.4A)
 0.71A 5aqyA-5oowA:
4.6		 5aqyA-5oowA:
15.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		8 GLY A 205
LYS A 275
ARG A 276
SER A 279
GLY A 343
SER A 344
ARG A 346
ILE A 347
 ATP  A 700 (-3.5A)
ATP  A 700 (-2.3A)
ATP  A 700 (-3.4A)
ATP  A 700 (-2.6A)
ATP  A 700 (-3.3A)
None
ATP  A 700 (-4.5A)
ATP  A 700 (-4.8A)
 1.15A 5aqyA-5tkyA:
50.3		 5aqyA-5tkyA:
43.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		10 GLY A 206
GLY A 234
GLU A 272
LYS A 275
ARG A 276
SER A 279
GLY A 343
SER A 344
ARG A 346
ILE A 347
 ATP  A 700 (-3.5A)
ATP  A 700 ( 4.4A)
ATP  A 700 (-4.1A)
ATP  A 700 (-2.3A)
ATP  A 700 (-3.4A)
ATP  A 700 (-2.6A)
ATP  A 700 (-3.3A)
None
ATP  A 700 (-4.5A)
ATP  A 700 (-4.8A)
 0.57A 5aqyA-5tkyA:
50.3		 5aqyA-5tkyA:
43.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		6 GLY A 233
GLY A 234
LYS A 275
SER A 279
SER A 344
ILE A 347
 None
ATP  A 700 ( 4.4A)
ATP  A 700 (-2.3A)
ATP  A 700 (-2.6A)
None
ATP  A 700 (-4.8A)
 1.39A 5aqyA-5tkyA:
50.3		 5aqyA-5tkyA:
43.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		6 GLY A 234
GLU A 272
ARG A 276
GLY A 343
SER A 344
ARG A 346
 ATP  A 700 ( 4.4A)
ATP  A 700 (-4.1A)
ATP  A 700 (-3.4A)
ATP  A 700 (-3.3A)
None
ATP  A 700 (-4.5A)
 1.25A 5aqyA-5tkyA:
50.3		 5aqyA-5tkyA:
43.32
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.
6bn2 ACETYL-COA
ACETYLTRANSFERASE

(Elizabethkingia
anophelis) 		no annotation 5 GLY A 114
GLY A 113
GLY A 354
SER A 355
ILE A 358
 None
None
SCY  A  88 ( 4.1A)
None
None
 0.88A 5aqyA-6bn2A:
undetectable		 5aqyA-6bn2A:
12.07
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.
6c9b PLP-DEPENDENT
L-ARGININE
HYDROXYLASE MPPP

(Streptomyces
wadayamensis) 		no annotation 5 GLY A 231
GLU A 217
SER A 266
GLY A 220
ILE A 262
 None
None
None
LLP  A 221 ( 2.4A)
None
 0.97A 5aqyA-6c9bA:
undetectable		 5aqyA-6c9bA:
10.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 6 GLY A 226
GLY A 254
GLU A 256
GLY A 364
SER A 365
ILE A 368
 SO4  A 602 ( 3.4A)
None
None
ADP  A 603 (-3.1A)
ADP  A 603 (-3.6A)
ADP  A 603 (-4.8A)
 1.38A 5aqyA-6eoeA:
50.5		 5aqyA-6eoeA:
52.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 9 GLY A 226
GLY A 255
LYS A 296
ARG A 297
SER A 300
GLY A 364
SER A 365
ARG A 367
ILE A 368
 SO4  A 602 ( 3.4A)
ADP  A 603 (-3.4A)
ADP  A 603 (-2.7A)
ADP  A 603 (-3.4A)
ADP  A 603 (-2.7A)
ADP  A 603 (-3.1A)
ADP  A 603 (-3.6A)
ADP  A 603 (-4.4A)
ADP  A 603 (-4.8A)
 1.02A 5aqyA-6eoeA:
50.5		 5aqyA-6eoeA:
52.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 10 GLY A 227
GLY A 255
GLU A 293
LYS A 296
ARG A 297
SER A 300
GLY A 364
SER A 365
ARG A 367
ILE A 368
 ADP  A 603 ( 2.9A)
ADP  A 603 (-3.4A)
ADP  A 603 (-2.6A)
ADP  A 603 (-2.7A)
ADP  A 603 (-3.4A)
ADP  A 603 (-2.7A)
ADP  A 603 (-3.1A)
ADP  A 603 (-3.6A)
ADP  A 603 (-4.4A)
ADP  A 603 (-4.8A)
 0.61A 5aqyA-6eoeA:
50.5		 5aqyA-6eoeA:
52.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 6 GLY A 254
GLY A 255
LYS A 296
SER A 300
SER A 365
ILE A 368
 None
ADP  A 603 (-3.4A)
ADP  A 603 (-2.7A)
ADP  A 603 (-2.7A)
ADP  A 603 (-3.6A)
ADP  A 603 (-4.8A)
 1.44A 5aqyA-6eoeA:
50.5		 5aqyA-6eoeA:
52.82