SIMILAR PATTERNS OF AMINO ACIDS FOR 4QB9_C_PARC500_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.
2g5g PUTATIVE LIPOPROTEIN

(Campylobacter
jejuni) 		PF04187
(Cofac_haem_bdg) 		5 SER X 255
THR X 221
GLU X  80
ASP X 198
GLY X  45
 None
 1.49A 4qb9C-2g5gX:
0.0		 4qb9C-2g5gX:
17.65
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		5 PHE A 283
TYR A 229
GLU A 340
ASP A 294
GLY A  41
 None
 1.34A 4qb9C-2gfiA:
0.0		 4qb9C-2gfiA:
20.97
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.
2jxy MACROPHAGE
METALLOELASTASE

(Homo sapiens) 		PF00045
(Hemopexin) 		5 PHE A 453
TYR A 400
ASP A 411
ASP A 404
TYR A 390
 None
 1.33A 4qb9C-2jxyA:
undetectable		 4qb9C-2jxyA:
15.40
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.
2pxx UNCHARACTERIZED
PROTEIN MGC2408

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 SER A 176
PHE A 206
SER A 173
TYR A 186
TYR A  20
 None
 1.32A 4qb9C-2pxxA:
1.0		 4qb9C-2pxxA:
19.62
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 THR A 283
SER A 281
ASP A 338
TYR A 253
GLY A 252
 None
 1.46A 4qb9C-2quaA:
1.4		 4qb9C-2quaA:
21.70
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.
2v6j RNA HELICASE

(Kokobera virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		5 THR A  47
SER A  45
TYR A  58
GLU A 101
ASP A 100
 None
 1.46A 4qb9C-2v6jA:
0.0		 4qb9C-2v6jA:
22.46
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.
2xmo LMO2642 PROTEIN

(Listeria
monocytogenes) 		PF00149
(Metallophos) 		5 PHE A 276
THR A 303
SER A 279
ASP A  47
GLY A 314
 None
None
None
MN  A 555 (-3.2A)
None
 1.47A 4qb9C-2xmoA:
1.0		 4qb9C-2xmoA:
22.06
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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 SER A 117
THR A 122
SER A 124
TYR A 279
GLY A 147
 PMP  A 431 ( 3.8A)
PMP  A 431 ( 4.4A)
None
None
PMP  A 431 ( 3.7A)
 1.33A 4qb9C-3bs8A:
0.0		 4qb9C-3bs8A:
23.14
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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 SER A 117
THR A 122
SER A 124
TYR A 279
TYR A 145
 PMP  A 431 ( 3.8A)
PMP  A 431 ( 4.4A)
None
None
None
 1.45A 4qb9C-3bs8A:
0.0		 4qb9C-3bs8A:
23.14
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.
3eb7 INSECTICIDAL
DELTA-ENDOTOXIN
CRY8EA1

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 PHE A 607
THR A 283
SER A 242
ASP A 280
GLY A 535
 None
 1.19A 4qb9C-3eb7A:
0.0		 4qb9C-3eb7A:
20.52
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.
3jze DIHYDROOROTASE

(Salmonella
enterica) 		PF01979
(Amidohydro_1) 		5 PHE A 243
TYR A 279
ASP A  15
ASP A  14
GLY A 300
 None
 1.35A 4qb9C-3jzeA:
undetectable		 4qb9C-3jzeA:
24.72
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.
3zuh PROTEIN CBBX

(Rhodobacter
sphaeroides) 		PF00004
(AAA) 		5 PHE A 135
THR A  78
ASP A 203
TYR A 177
GLY A  74
 None
ADP  A1299 (-4.2A)
None
None
None
 1.30A 4qb9C-3zuhA:
undetectable		 4qb9C-3zuhA:
22.58
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.
4e69 2-DEHYDRO-3-DEOXYGLU
CONOKINASE

(Oceanicola
granulosus) 		PF00294
(PfkB) 		5 SER A  50
THR A  30
ASP A 161
ASP A 256
GLY A  28
 None
 1.42A 4qb9C-4e69A:
undetectable		 4qb9C-4e69A:
25.11
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 281
ASP A 293
ASP A 292
TYR A 239
GLY A 263
 None
None
0XW  A 403 ( 4.4A)
None
None
 1.46A 4qb9C-4h2hA:
undetectable		 4qb9C-4h2hA:
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.
4k51 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		5 SER A 369
SER A 375
TYR A 307
GLU A 382
TYR A 388
 None
 1.43A 4qb9C-4k51A:
undetectable		 4qb9C-4k51A:
20.14
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 SER A 439
THR A 502
SER A 494
GLU A 182
GLY A 432
 None
 1.44A 4qb9C-4r1dA:
undetectable		 4qb9C-4r1dA:
21.60
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.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF03512
(Glyco_hydro_52) 		5 SER A 418
THR A 485
GLU A 387
ASP A 377
GLY A 487
 None
 1.49A 4qb9C-4rhhA:
undetectable		 4qb9C-4rhhA:
22.02
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.
5j72 PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE
AMIDASE,AUTOLYSIN
CWP6

(Clostridioides
difficile) 		PF01520
(Amidase_3)
PF04122
(CW_binding_2) 		5 PHE A 366
THR A 358
GLU A 629
ASP A 354
GLY A 324
 None
 1.19A 4qb9C-5j72A:
undetectable		 4qb9C-5j72A:
21.14
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.
5kha GLUTAMINE-DEPENDENT
NAD+ SYNTHETASE

(Acinetobacter
baumannii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 SER A 231
PHE A 232
SER A 173
TYR A 200
GLY A 178
 None
None
CL  A 602 (-3.1A)
None
None
 1.45A 4qb9C-5khaA:
undetectable		 4qb9C-5khaA:
21.72
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.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 SER A 112
THR A 101
GLU A 104
ASP A 329
TYR A 151
 TRS  A 706 (-2.7A)
TRS  A 706 (-4.0A)
None
None
None
 1.49A 4qb9C-5t88A:
undetectable		 4qb9C-5t88A:
19.87
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.
5x41 COBALT TRANSPORT
PROTEIN CBIM

(Rhodobacter
capsulatus) 		no annotation 5 SER M 157
THR M 152
SER M 114
GLU M 193
ASP M 149
 None
 1.33A 4qb9C-5x41M:
undetectable		 4qb9C-5x41M:
24.50