SIMILAR PATTERNS OF AMINO ACIDS FOR 2XFS_B_J01B600_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
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.
1ad3 ALDEHYDE
DEHYDROGENASE (CLASS
3)

(Rattus
norvegicus) 		PF00171
(Aldedh) 		5 ALA A  46
ALA A  48
GLY A  45
SER A  44
ARG A 279
 None
 1.27A 2xfsB-1ad3A:
0.0		 2xfsB-1ad3A:
22.97
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.
1ltm 36 KDA SOLUBLE LYTIC
TRANSGLYCOSYLASE

(Escherichia
coli) 		PF13406
(SLT_2) 		5 ALA A 220
ALA A 218
GLY A 219
PHE A 192
ARG A 188
 BCN  A 401 ( 3.9A)
EDO  A 402 ( 3.8A)
None
None
EDO  A 402 (-3.2A)
 1.50A 2xfsB-1ltmA:
0.0		 2xfsB-1ltmA:
19.14
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.
1pq5 TRYPSIN

(Fusarium
oxysporum) 		PF00089
(Trypsin) 		5 ALA A 209
TYR A  93
ALA A  54
GLY A 196
SER A 195
 None
None
None
None
ARG  A 703 (-2.3A)
 1.02A 2xfsB-1pq5A:
undetectable		 2xfsB-1pq5A:
20.61
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.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 ALA A 485
THR A 303
ALA A  28
GLY A 482
SER A 481
 None
 1.39A 2xfsB-1sezA:
0.0		 2xfsB-1sezA:
22.51
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.
1t6k PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF

(Pseudomonas
fluorescens) 		PF02567
(PhzC-PhzF) 		5 ALA A  82
THR A  47
ALA A  80
GLY A  78
PHE A 103
 None
 1.39A 2xfsB-1t6kA:
1.1		 2xfsB-1t6kA:
24.09
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		5 ALA A  34
ALA A  32
GLY A  31
SER A  14
ARG A 162
 None
AIS  A 402 ( 4.2A)
AIS  A 402 (-3.8A)
AIS  A 402 (-3.4A)
AIS  A 402 (-3.0A)
 1.48A 2xfsB-1tz6A:
undetectable		 2xfsB-1tz6A:
23.94
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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 THR A 268
TYR A 248
GLY A 253
SER A 254
ARG A 127
 None
None
None
None
ZN  A 501 ( 4.4A)
 1.10A 2xfsB-1zliA:
0.0		 2xfsB-1zliA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		5 TYR A  86
ALA A 116
GLY A 117
MET A 120
PHE A 129
 None
 1.35A 2xfsB-2bfeA:
0.0		 2xfsB-2bfeA:
20.58
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.
2d1g ACID PHOSPHATASE

(Francisella
tularensis) 		PF04185
(Phosphoesterase) 		5 ALA A 437
SER A 461
GLY A 185
SER A 456
PHE A 402
 None
 1.49A 2xfsB-2d1gA:
0.0		 2xfsB-2d1gA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjw UNCHARACTERIZED
PROTEIN XCC1541

(Xanthomonas
campestris) 		no annotation 5 ALA A   9
ALA A  78
GLY A  79
MET A 102
PHE A 100
 None
 1.07A 2xfsB-2qjwA:
undetectable		 2xfsB-2qjwA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x4d PHOSPHOLYSINE
PHOSPHOHISTIDINE
INORGANIC
PYROPHOSPHATE
PHOSPHATASE

(Homo sapiens) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ALA A  34
THR A 235
ALA A 258
GLY A  35
SER A  36
 None
 1.39A 2xfsB-2x4dA:
undetectable		 2xfsB-2x4dA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xec PUTATIVE MALEATE
ISOMERASE

(Nocardia
farcinica) 		no annotation 5 ALA A 218
SER A 216
ALA A 220
GLY A 221
SER A 111
 None
 1.48A 2xfsB-2xecA:
undetectable		 2xfsB-2xecA:
22.51
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.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		5 ALA A 200
THR A 424
SER A 465
GLY A 204
PHE A 504
 None
 1.07A 2xfsB-3a1iA:
0.8		 2xfsB-3a1iA:
23.83
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		5 THR A 259
ALA A 542
GLY A 541
SER A 254
ARG A1218
 MGD  A1246 (-2.9A)
MGD  A1246 (-3.2A)
MGD  A1246 (-3.0A)
MGD  A1246 (-4.3A)
MGD  A1246 ( 2.7A)
 1.31A 2xfsB-3egwA:
undetectable		 2xfsB-3egwA:
17.56
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.
3fpz THIAZOLE
BIOSYNTHETIC ENZYME

(Saccharomyces
cerevisiae) 		PF01946
(Thi4) 		5 ALA A 316
THR A 234
ALA A  80
GLY A 313
SER A 312
 None
 1.38A 2xfsB-3fpzA:
undetectable		 2xfsB-3fpzA:
23.57
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.
3gse MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Yersinia pestis) 		PF00425
(Chorismate_bind) 		5 ALA A 403
SER A 406
ALA A 387
GLY A 388
PHE A 100
 None
 1.50A 2xfsB-3gseA:
undetectable		 2xfsB-3gseA:
23.85
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.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Staphylococcus
aureus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 161
THR A 269
ALA A  10
GLY A 162
PHE A   8
 None
 1.28A 2xfsB-3il7A:
undetectable		 2xfsB-3il7A:
21.46
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.
3oka GDP-MANNOSE-DEPENDEN
T
ALPHA-(1-6)-PHOSPHAT
IDYLINOSITOL
MONOMANNOSIDE
MANNOSYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ALA A 308
THR A 317
ALA A 280
GLY A 309
ARG A 210
 None
None
None
None
SO4  A 601 ( 4.1A)
 1.18A 2xfsB-3okaA:
undetectable		 2xfsB-3okaA:
24.64
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.
3os6 ISOCHORISMATE
SYNTHASE DHBC

(Bacillus
anthracis) 		PF00425
(Chorismate_bind) 		5 THR A 329
ALA A 361
GLY A 362
SER A 146
PHE A 382
 None
 1.23A 2xfsB-3os6A:
undetectable		 2xfsB-3os6A:
23.54
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.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 SER A 114
ALA A  84
GLY A  83
SER A 148
PHE A  45
 None
 1.23A 2xfsB-3ttsA:
0.9		 2xfsB-3ttsA:
22.81
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ALA A 497
SER A 501
ALA A 228
GLY A 476
SER A 479
 FAD  A 551 ( 4.5A)
None
FAD  A 551 ( 4.8A)
FAD  A 551 ( 3.8A)
None
 1.47A 2xfsB-4c3yA:
undetectable		 2xfsB-4c3yA:
24.48
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.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 ALA A 752
THR A 732
ALA A 748
GLY A 749
SER A 750
 None
 1.21A 2xfsB-4fm9A:
undetectable		 2xfsB-4fm9A:
20.18
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 ALA A  15
SER A  18
GLY A  50
MET A  52
PHE A  48
 None
 1.49A 2xfsB-4j9uA:
undetectable		 2xfsB-4j9uA:
23.17
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.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 ALA A 164
ALA A 166
GLY A 163
SER A 162
ARG A  74
 None
 1.24A 2xfsB-4jipA:
undetectable		 2xfsB-4jipA:
22.85
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.
4kqk NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF02277
(DBI_PRT) 		5 ALA A 321
SER A 288
TYR A 268
GLY A 318
SER A 319
 None
 1.22A 2xfsB-4kqkA:
undetectable		 2xfsB-4kqkA:
23.87
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.
4qt9 PUTATIVE
GLUCOAMYLASE

(Bacteroides
caccae) 		PF10091
(Glycoamylase) 		5 SER A  98
TYR A  63
ALA A  68
GLY A  73
SER A  72
 None
 1.38A 2xfsB-4qt9A:
undetectable		 2xfsB-4qt9A:
20.65
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.
4rbt PROPANEDIOL
UTILIZATION PROTEIN
PDUA

(Salmonella
enterica) 		PF00936
(BMC) 		5 ALA A  65
THR A  11
ALA A  62
GLY A  61
MET A  24
 None
 1.22A 2xfsB-4rbtA:
1.7		 2xfsB-4rbtA:
14.14
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.
4rgq GLYCEROL-1-PHOSPHATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF13685
(Fe-ADH_2) 		5 THR A 255
SER A 151
ALA A 155
GLY A 223
SER A 224
 None
K  A 402 ( 4.6A)
None
None
None
 1.23A 2xfsB-4rgqA:
1.7		 2xfsB-4rgqA:
20.54
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.
4zxc HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT
HYDROQUINONE
DIOXYGENASE SMALL
SUBUNIT

(Pseudomonas sp.
WBC-3) 		no annotation 5 ALA A  73
ALA A 130
GLY A 131
SER A 132
ARG W 174
 None
 1.47A 2xfsB-4zxcA:
undetectable		 2xfsB-4zxcA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8z NEUTROPHIL ELASTASE

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A 213
TYR A  94
ALA A  55
GLY A 196
SER A 195
 IUL  A1001 (-3.6A)
IUL  A1001 (-4.7A)
None
None
IUL  A1001 (-3.3A)
 1.41A 2xfsB-5a8zA:
undetectable		 2xfsB-5a8zA:
19.61
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.
5e5b FACT COMPLEX SUBUNIT
SPT16

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 ALA A 186
THR A 406
SER A 284
TYR A 243
SER A 191
 None
 1.28A 2xfsB-5e5bA:
undetectable		 2xfsB-5e5bA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis) 		PF10091
(Glycoamylase) 		5 SER A  75
TYR A  40
ALA A  45
GLY A  50
SER A  49
 None
 1.35A 2xfsB-5gzhA:
undetectable		 2xfsB-5gzhA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 ALA A 118
SER A 112
ALA A 283
GLY A 115
SER A 116
 None
None
PLP  A1001 ( 4.9A)
PLP  A1001 (-3.3A)
PLP  A1001 (-2.6A)
 1.32A 2xfsB-5lh9A:
undetectable		 2xfsB-5lh9A:
24.08
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.
5nxy OSMOTICALLY
ACTIVATED
L-CARNITINE/CHOLINE
ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN OPUCC

(Bacillus
subtilis) 		no annotation 5 ALA A  10
SER A  16
TYR A 103
ALA A  60
GLY A   9
 None
 1.44A 2xfsB-5nxyA:
undetectable		 2xfsB-5nxyA:
10.55
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.
5ujs UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Campylobacter
jejuni) 		PF00275
(EPSP_synthase) 		5 ALA A 242
ALA A 244
GLY A 243
SER A 248
PHE A 272
 None
 1.38A 2xfsB-5ujsA:
undetectable		 2xfsB-5ujsA:
24.32
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.
5w7a ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT

(Oryctolagus
cuniculus) 		no annotation 5 THR B 304
SER B 301
ALA B 265
GLY B 264
ARG B 196
 None
 1.48A 2xfsB-5w7aB:
undetectable		 2xfsB-5w7aB:
11.61
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.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		5 TYR A 217
ALA A 189
GLY A 190
MET A 206
PHE A 208
 None
 1.45A 2xfsB-5wzrA:
2.4		 2xfsB-5wzrA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ya1 AUTOINDUCER-2 KINASE

(Escherichia
coli) 		no annotation 5 ALA A 463
SER A  88
ALA A 461
GLY A 459
PHE A  29
 None
 1.27A 2xfsB-5ya1A:
undetectable		 2xfsB-5ya1A:
10.31
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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 5 ALA A 446
ALA A 444
GLY A 442
PHE A 320
ARG A 319
 None
 1.41A 2xfsB-5ys9A:
undetectable		 2xfsB-5ys9A:
12.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 5 THR A 404
ALA A 412
GLY A 410
PHE A 413
ARG A  65
 None
None
None
None
PYR  A 602 (-4.0A)
 1.08A 2xfsB-6d5iA:
undetectable		 2xfsB-6d5iA:
10.51
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.
6es9 ACYL-COA
DEHYDROGENASE

(Paracoccus
denitrificans) 		no annotation 5 ALA A 422
TYR A 472
GLY A 424
SER A 240
ARG A 175
 None
 1.11A 2xfsB-6es9A:
undetectable		 2xfsB-6es9A:
13.23