SIMILAR PATTERNS OF AMINO ACIDS FOR 6HXI_D_ACTD703

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.
1a59 CITRATE SYNTHASE

(Antarctic
bacterium
DS2-3R) 		PF00285
(Citrate_synt) 		5 HIS A 186
ARG A 278
ASP A 320
PHE A 341
ARG A 345
 CIT  A 379 (-3.8A)
CIT  A 379 (-3.0A)
CIT  A 379 (-2.8A)
CIT  A 379 (-4.8A)
CIT  A 379 (-2.8A)
 0.70A 6hxiD-1a59A:
16.5		 6hxiD-1a59A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aj8 CITRATE SYNTHASE

(Pyrococcus
furiosus) 		PF00285
(Citrate_synt) 		5 HIS A 188
ARG A 271
ASP A 312
PHE A 333
ARG A 337
 CIT  A1000 (-3.8A)
CIT  A1000 (-2.9A)
CIT  A1000 ( 4.1A)
None
CIT  A1000 (-2.9A)
 0.79A 6hxiD-1aj8A:
16.4		 6hxiD-1aj8A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aw1 TRIOSEPHOSPHATE
ISOMERASE

(Moritella
marina) 		PF00121
(TIM) 		4 HIS A 104
ARG A 100
ASP A  69
PHE A 110
 None
 1.17A 6hxiD-1aw1A:
0.1		 6hxiD-1aw1A:
18.01
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.
1iom CITRATE SYNTHASE

(Thermus
thermophilus) 		PF00285
(Citrate_synt) 		4 HIS A 184
ARG A 267
PHE A 333
ARG A 337
 CO3  A 500 (-4.0A)
GOL  A 400 (-2.9A)
GOL  A 400 ( 4.8A)
CO3  A 500 (-3.0A)
 0.62A 6hxiD-1iomA:
16.1		 6hxiD-1iomA:
23.84
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.
1o7x CITRATE SYNTHASE

(Sulfolobus
solfataricus) 		PF00285
(Citrate_synt) 		5 HIS A 183
ARG A 267
ASP A 313
PHE A 334
ARG A 338
 None
 0.61A 6hxiD-1o7xA:
16.0		 6hxiD-1o7xA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vgm 378AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 HIS A 184
ARG A 268
ASP A 314
PHE A 335
ARG A 339
 None
None
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.6A)
None
 0.67A 6hxiD-1vgmA:
16.3		 6hxiD-1vgmA:
22.34
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.
1vgp 373AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 HIS A 180
ARG A 263
ASP A 310
PHE A 331
ARG A 335
 None
 0.79A 6hxiD-1vgpA:
14.7		 6hxiD-1vgpA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c6x CITRATE SYNTHASE 1

(Bacillus
subtilis) 		PF00285
(Citrate_synt) 		4 HIS A 178
ARG A 261
PHE A 328
ARG A 332
 CIT  A1366 (-3.0A)
CIT  A1366 (-3.3A)
None
CIT  A1366 (-3.0A)
 0.98A 6hxiD-2c6xA:
14.9		 6hxiD-2c6xA:
21.93
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.
2h12 CITRATE SYNTHASE

(Acetobacter
aceti) 		PF00285
(Citrate_synt) 		5 HIS A 237
ARG A 322
ASP A 371
PHE A 392
ARG A 396
 OAA  A5007 (-3.9A)
OAA  A5007 (-2.9A)
CMX  A5001 (-2.8A)
CMX  A5001 (-4.9A)
OAA  A5007 (-2.9A)
 0.77A 6hxiD-2h12A:
16.1		 6hxiD-2h12A:
21.48
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.
2ibp CITRATE SYNTHASE

(Pyrobaculum
aerophilum) 		PF00285
(Citrate_synt) 		4 HIS A 214
ARG A 298
PHE A 367
ARG A 371
 None
 0.44A 6hxiD-2ibpA:
15.9		 6hxiD-2ibpA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r26 CITRATE SYNTHASE

(Thermoplasma
acidophilum) 		PF00285
(Citrate_synt) 		5 HIS A 187
ARG A 271
ASP A 317
PHE A 340
ARG A 344
 OAA  A 501 (-3.8A)
OAA  A 501 (-3.1A)
CMC  A 701 (-2.7A)
OAA  A 501 ( 4.6A)
OAA  A 501 (-2.7A)
 0.70A 6hxiD-2r26A:
16.8		 6hxiD-2r26A:
21.56
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.
3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Cytophaga
hutchinsonii) 		PF03009
(GDPD) 		4 ARG A  14
ASP A 263
PHE A 103
ARG A 102
 GOL  A 289 ( 2.8A)
EDO  A 279 (-4.4A)
None
GOL  A 289 (-2.7A)
 1.50A 6hxiD-3ch0A:
undetectable		 6hxiD-3ch0A:
20.53
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.
3hwk METHYLCITRATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		5 HIS A 207
ARG A 290
ASP A 332
PHE A 353
ARG A 357
 SIN  A 402 ( 3.6A)
SIN  A 401 (-3.2A)
None
None
SIN  A 401 (-2.9A)
 0.59A 6hxiD-3hwkA:
17.3		 6hxiD-3hwkA:
22.50
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.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		4 HIS A 231
ARG A 316
ASP A 365
PHE A 386
 None
 0.81A 6hxiD-3msuA:
16.2		 6hxiD-3msuA:
22.62
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.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		4 HIS A 231
ARG A 316
PHE A 386
ARG A 390
 None
 0.53A 6hxiD-3msuA:
16.2		 6hxiD-3msuA:
22.62
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.
3o8j 2-METHYLCITRATE
SYNTHASE

(Salmonella
enterica) 		PF00285
(Citrate_synt) 		5 HIS A 200
ARG A 283
ASP A 325
PHE A 346
ARG A 350
 None
 0.52A 6hxiD-3o8jA:
16.5		 6hxiD-3o8jA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqg 2-METHYLCITRATE
SYNTHASE

(Coxiella
burnetii) 		PF00285
(Citrate_synt) 		5 HIS A 183
ARG A 266
ASP A 308
PHE A 329
ARG A 333
 None
 0.49A 6hxiD-3tqgA:
17.3		 6hxiD-3tqgA:
21.18
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.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus) 		PF00285
(Citrate_synt) 		4 HIS A 230
ARG A 315
ASP A 363
PHE A 384
 None
 0.94A 6hxiD-4e6yA:
15.3		 6hxiD-4e6yA:
23.16
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.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus) 		PF00285
(Citrate_synt) 		4 HIS A 230
ARG A 315
PHE A 384
ARG A 388
 None
 0.69A 6hxiD-4e6yA:
15.3		 6hxiD-4e6yA:
23.16
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.
4g6b CITRATE SYNTHASE

(Escherichia
coli) 		PF00285
(Citrate_synt) 		4 HIS A 229
ARG A 314
ASP A 362
ARG A 387
 SO4  A 503 (-3.9A)
SO4  A 503 (-3.3A)
None
SO4  A 503 (-3.2A)
 0.61A 6hxiD-4g6bA:
3.7		 6hxiD-4g6bA:
21.67
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.
4tvm CITRATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		4 HIS A 232
ARG A 318
PHE A 387
ARG A 391
 OAA  A 501 (-3.9A)
OAA  A 501 (-4.1A)
OAA  A 501 (-4.7A)
OAA  A 501 (-3.1A)
 0.65A 6hxiD-4tvmA:
4.7		 6hxiD-4tvmA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5csc CITRATE SYNTHASE

(Gallus gallus) 		PF00285
(Citrate_synt) 		5 HIS B 238
ARG B 329
ASP B 375
PHE B 397
ARG B 401
 None
 0.64A 6hxiD-5cscB:
15.2		 6hxiD-5cscB:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL

(Aspergillus
fumigatus) 		no annotation 5 HIS A 269
ARG A 360
ASP A 408
PHE A 430
ARG A 434
 OAA  A 501 (-3.9A)
OAA  A 501 (-3.0A)
None
None
OAA  A 501 (-3.0A)
 0.64A 6hxiD-5uqrA:
17.2		 6hxiD-5uqrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ftl RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Skeletonema
marinoi) 		no annotation 4 ARG A 138
ASP A 481
PHE A 366
ARG A 315
 None
 1.41A 6hxiD-6ftlA:
2.1		 6hxiD-6ftlA:
undetectable