SIMILAR PATTERNS OF AMINO ACIDS FOR 2XF3_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.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		5 LYS A 432
SER A 193
TYR A 452
ALA A 191
GLY A 189
 None
 1.21A 2xf3B-1tf0A:
0.0		 2xf3B-1tf0A:
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.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 THR A 144
SER A 147
ALA A 116
GLY A 113
SER A 112
 None
None
None
PLP  A 513 (-3.2A)
PLP  A 513 ( 4.0A)
 1.14A 2xf3B-1vefA:
undetectable		 2xf3B-1vefA:
24.21
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.
1x1o NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Thermus
thermophilus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 SER A 246
THR A 138
SER A 266
TYR A 124
GLY A 247
 None
 1.22A 2xf3B-1x1oA:
0.0		 2xf3B-1x1oA:
23.63
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		5 THR A 398
ALA A 406
GLY A 404
PHE A 407
ARG A  60
 None
None
None
OXD  A 543 (-4.6A)
OXD  A 543 (-4.1A)
 1.18A 2xf3B-1ytmA:
0.0		 2xf3B-1ytmA:
22.94
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)
 1.11A 2xf3B-1zliA:
0.0		 2xf3B-1zliA:
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.
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 2xf3B-2bfeA:
undetectable		 2xf3B-2bfeA:
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.
2eo5 419AA LONG
HYPOTHETICAL
AMINOTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00202
(Aminotran_3) 		5 THR A 143
SER A 146
ALA A 116
GLY A 113
SER A 112
 None
None
None
PLP  A1001 ( 3.4A)
PLP  A1001 ( 3.8A)
 1.18A 2xf3B-2eo5A:
0.0		 2xf3B-2eo5A:
22.39
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.
2q7s N-FORMYLGLUTAMATE
AMIDOHYDROLASE

(Cupriavidus
pinatubonensis) 		PF05013
(FGase) 		5 SER A  32
SER A  29
ALA A  74
GLY A  33
PHE A  76
 None
 1.49A 2xf3B-2q7sA:
undetectable		 2xf3B-2q7sA:
21.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		10 LYS A  89
THR A 209
SER A 234
TYR A 359
ALA A 376
GLY A 377
SER A 378
MET A 383
PHE A 385
ARG A 418
 J01  A 600 (-2.8A)
J01  A 600 (-3.2A)
J01  A 600 (-3.4A)
J01  A 600 (-4.8A)
J01  A 600 (-3.5A)
J01  A 600 ( 3.8A)
J01  A 600 (-3.4A)
J01  A 600 ( 3.9A)
J01  A 600 (-4.7A)
J01  A 600 ( 2.8A)
 0.15A 2xf3B-2xfsA:
65.6		 2xf3B-2xfsA:
99.78
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 SER X 181
THR X 230
SER X 236
GLY X 182
PHE X 129
 None
 1.41A 2xf3B-2y9eX:
undetectable		 2xf3B-2y9eX:
19.69
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.
2yv3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LYS A 209
SER A  74
TYR A  97
GLY A  71
ARG A 205
 None
 1.22A 2xf3B-2yv3A:
1.8		 2xf3B-2yv3A:
24.45
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.
3bit FACT COMPLEX SUBUNIT
SPT16

(Saccharomyces
cerevisiae) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 SER A 187
THR A 419
SER A 299
TYR A 257
GLY A 190
 None
 1.44A 2xf3B-3bitA:
undetectable		 2xf3B-3bitA:
18.91
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.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		5 SER A 108
THR A 145
SER A 169
GLY A 259
SER A 260
 NO3  A   1 (-2.9A)
EDO  A   7 ( 4.9A)
None
None
EDO  A   7 ( 4.0A)
 0.59A 2xf3B-3cjmA:
21.9		 2xf3B-3cjmA:
19.53
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.
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)
 1.30A 2xf3B-3egwA:
undetectable		 2xf3B-3egwA:
17.82
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 SER A 509
TYR A 542
GLY A 508
PHE A 199
ARG A 200
 ZN  A1752 ( 4.9A)
BIX  A   1 (-4.7A)
BIX  A   1 (-3.4A)
BIX  A   1 ( 4.8A)
BIX  A   1 (-2.7A)
 1.22A 2xf3B-3fedA:
undetectable		 2xf3B-3fedA:
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.
3gnn NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Burkholderia
pseudomallei) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 SER A 255
THR A 148
SER A 275
TYR A 134
GLY A 256
 None
 0.95A 2xf3B-3gnnA:
undetectable		 2xf3B-3gnnA:
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.
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
 1.22A 2xf3B-3os6A:
undetectable		 2xf3B-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.
3r4v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
phage 201phi2-1) 		PF00091
(Tubulin) 		5 SER A  94
THR A  50
ALA A  10
GLY A  11
MET A  15
 GDP  A 400 (-3.8A)
None
None
GDP  A 400 (-3.4A)
None
 1.22A 2xf3B-3r4vA:
undetectable		 2xf3B-3r4vA:
19.49
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.
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 2xf3B-3ttsA:
0.9		 2xf3B-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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A 159
THR A 623
SER A 625
GLY A 647
ARG A 701
 None
 1.39A 2xf3B-3v8xA:
1.5		 2xf3B-3v8xA:
18.67
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.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 448
THR A 621
SER A 392
SER A 429
PHE A 454
 None
 1.22A 2xf3B-3vskA:
15.3		 2xf3B-3vskA:
22.33
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.
4k6c ACETOACETYL-COA
REDUCTASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 LYS A 165
SER A 139
ALA A 158
GLY A 143
SER A 144
 None
 1.44A 2xf3B-4k6cA:
undetectable		 2xf3B-4k6cA:
19.66
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.
4qt9 PUTATIVE
GLUCOAMYLASE

(Bacteroides
caccae) 		PF10091
(Glycoamylase) 		5 SER A  98
TYR A  63
ALA A  68
GLY A  73
SER A  72
 None
 1.33A 2xf3B-4qt9A:
undetectable		 2xf3B-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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 SER A 105
THR A 183
SER A 315
ALA A 107
GLY A 106
 None
 1.25A 2xf3B-5by7A:
undetectable		 2xf3B-5by7A:
24.31
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 SER A 105
THR A 183
SER A 315
ALA A 107
PHE A 286
 None
 1.49A 2xf3B-5by7A:
undetectable		 2xf3B-5by7A:
24.31
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.
5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF11864
(DUF3384) 		5 SER A 384
ALA A 382
GLY A 381
SER A 323
PHE A 359
 SER  A 384 ( 0.0A)
ALA  A 382 ( 0.0A)
GLY  A 381 ( 0.0A)
SER  A 323 ( 0.0A)
PHE  A 359 ( 1.3A)
 1.36A 2xf3B-5hiuA:
undetectable		 2xf3B-5hiuA:
22.70
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.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		5 SER A 185
SER A 142
TYR A 203
ALA A 182
GLY A 183
 None
 1.43A 2xf3B-5infA:
undetectable		 2xf3B-5infA:
24.13
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.
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
 1.46A 2xf3B-5wzrA:
2.4		 2xf3B-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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 SER A 343
TYR A 315
ALA A 320
GLY A 325
SER A 324
 None
 1.28A 2xf3B-5z06A:
undetectable		 2xf3B-5z06A:
9.80
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.
6a8m -

(-) 		no annotation 5 SER A 188
THR A 420
SER A 300
TYR A 258
GLY A 191
 None
 1.33A 2xf3B-6a8mA:
undetectable		 2xf3B-6a8mA:
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.
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)
 1.07A 2xf3B-6d5iA:
undetectable		 2xf3B-6d5iA:
10.51