SIMILAR PATTERNS OF AMINO ACIDS FOR 6HXI_B_ACTB706_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a59 CITRATE SYNTHASE

(Antarctic
bacterium
DS2-3R) 		PF00285
(Citrate_synt) 		4 HIS A 186
ARG A 278
PHE A 341
ARG A 345
 CIT  A 379 (-3.8A)
CIT  A 379 (-3.0A)
CIT  A 379 (-4.8A)
CIT  A 379 (-2.8A)
 0.63A 6hxiB-1a59A:
14.8		 6hxiB-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) 		4 HIS A 188
ARG A 271
PHE A 333
ARG A 337
 CIT  A1000 (-3.8A)
CIT  A1000 (-2.9A)
None
CIT  A1000 (-2.9A)
 0.77A 6hxiB-1aj8A:
14.7		 6hxiB-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.
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 6hxiB-1iomA:
14.5		 6hxiB-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) 		4 HIS A 183
ARG A 267
PHE A 334
ARG A 338
 None
 0.42A 6hxiB-1o7xA:
14.4		 6hxiB-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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 VAL A 602
ARG A 267
PHE A 317
ARG A 264
 None
 1.42A 6hxiB-1qf7A:
2.3		 6hxiB-1qf7A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vgm 378AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		4 HIS A 184
ARG A 268
PHE A 335
ARG A 339
 None
None
GOL  A 401 (-3.6A)
None
 0.51A 6hxiB-1vgmA:
14.8		 6hxiB-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) 		4 HIS A 180
ARG A 263
PHE A 331
ARG A 335
 None
 0.56A 6hxiB-1vgpA:
13.2		 6hxiB-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)
 0.99A 6hxiB-2c6xA:
13.1		 6hxiB-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) 		4 HIS A 237
ARG A 322
PHE A 392
ARG A 396
 OAA  A5007 (-3.9A)
OAA  A5007 (-2.9A)
CMX  A5001 (-4.9A)
OAA  A5007 (-2.9A)
 0.79A 6hxiB-2h12A:
14.5		 6hxiB-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
 0.46A 6hxiB-2ibpA:
14.2		 6hxiB-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) 		4 HIS A 187
ARG A 271
PHE A 340
ARG A 344
 OAA  A 501 (-3.8A)
OAA  A 501 (-3.1A)
OAA  A 501 ( 4.6A)
OAA  A 501 (-2.7A)
 0.68A 6hxiB-2r26A:
15.2		 6hxiB-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.
3hwk METHYLCITRATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		4 HIS A 207
ARG A 290
PHE A 353
ARG A 357
 SIN  A 402 ( 3.6A)
SIN  A 401 (-3.2A)
None
SIN  A 401 (-2.9A)
 0.63A 6hxiB-3hwkA:
15.7		 6hxiB-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
PHE A 386
ARG A 390
 None
 0.53A 6hxiB-3msuA:
16.8		 6hxiB-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) 		4 HIS A 200
ARG A 283
PHE A 346
ARG A 350
 None
 0.42A 6hxiB-3o8jA:
15.0		 6hxiB-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) 		4 HIS A 183
ARG A 266
PHE A 329
ARG A 333
 None
 0.41A 6hxiB-3tqgA:
15.6		 6hxiB-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
PHE A 384
ARG A 388
 None
 0.68A 6hxiB-4e6yA:
13.8		 6hxiB-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.
4gf4 PORIN B

(Pseudomonas
putida) 		PF04966
(OprB) 		4 HIS A 341
VAL A 311
ARG A 339
PHE A 301
 None
 1.26A 6hxiB-4gf4A:
undetectable		 6hxiB-4gf4A:
20.21
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.
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)
 0.64A 6hxiB-4tvmA:
5.1		 6hxiB-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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		4 VAL A 482
ARG A 410
PHE A 326
ARG A 374
 None
 1.46A 6hxiB-4uhiA:
undetectable		 6hxiB-4uhiA:
20.81
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) 		4 HIS B 238
ARG B 329
PHE B 397
ARG B 401
 None
 0.55A 6hxiB-5cscB:
14.2		 6hxiB-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.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		4 HIS A 183
VAL A 192
PHE A 255
ARG A 167
 None
None
BET  A 303 (-4.6A)
BET  A 303 (-4.3A)
 1.40A 6hxiB-5h02A:
5.6		 6hxiB-5h02A:
18.61
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.
5hr6 RLMN METHYLASE

(Escherichia
coli) 		PF04055
(Radical_SAM) 		4 HIS A 235
VAL A 246
PHE A 257
ARG A 242
 5AD  A 503 (-3.7A)
None
None
None
 1.37A 6hxiB-5hr6A:
undetectable		 6hxiB-5hr6A:
21.68
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.
5mvh BACCELL_00856

(Bacteroides
cellulosilyticus) 		PF15892
(BNR_4) 		4 HIS A 398
VAL A 422
ARG A 396
ARG A  68
 None
 1.35A 6hxiB-5mvhA:
undetectable		 6hxiB-5mvhA:
20.16
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.
5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL

(Aspergillus
fumigatus) 		no annotation 4 HIS A 269
ARG A 360
PHE A 430
ARG A 434
 OAA  A 501 (-3.9A)
OAA  A 501 (-3.0A)
None
OAA  A 501 (-3.0A)
 0.67A 6hxiB-5uqrA:
16.0		 6hxiB-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.
5wu3 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE

(Homo sapiens) 		PF03828
(PAP_assoc) 		4 HIS A 391
VAL A 468
ARG A 394
PHE A 220
 None
 1.15A 6hxiB-5wu3A:
undetectable		 6hxiB-5wu3A:
22.74
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.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 HIS A2437
VAL A2346
ARG A2355
PHE A2374
 None
 1.18A 6hxiB-5y2aA:
undetectable		 6hxiB-5y2aA:
undetectable