SIMILAR PATTERNS OF AMINO ACIDS FOR 4QB9_A_PARA500_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.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 SER A 241
THR A 233
ASP A 205
ASP A 204
GLY A 108
 None
SO4  A 400 ( 4.1A)
None
None
SO4  A 400 (-3.3A)
 1.27A 4qb9A-1bs0A:
0.0		 4qb9A-1bs0A:
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.
1te1 ENDO-1,4-XYLANASE

(Talaromyces
funiculosus) 		PF00457
(Glyco_hydro_11) 		5 SER B 184
SER B  68
GLU B 179
ASP B  41
GLY B 177
 None
None
EDO  B 207 (-4.9A)
None
None
 1.40A 4qb9A-1te1B:
0.0		 4qb9A-1te1B:
19.21
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.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Melanocarpus
albomyces) 		PF00840
(Glyco_hydro_7) 		5 SER A 160
GLU A 151
ASP A 115
TYR A 235
GLY A 154
 PCA  A   1 ( 4.3A)
None
None
None
None
 1.38A 4qb9A-2rfzA:
0.0		 4qb9A-2rfzA:
21.31
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.
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
 1.33A 4qb9A-2xmoA:
1.8		 4qb9A-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.
3dsq PYRROLYSYL-TRNA
SYNTHETASE

(Desulfitobacterium
hafniense) 		PF01409
(tRNA-synt_2d) 		5 PHE A 239
THR A 220
SER A 214
GLU A 229
ASP A 222
 None
 1.49A 4qb9A-3dsqA:
0.0		 4qb9A-3dsqA:
22.48
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.
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
 1.04A 4qb9A-3eb7A:
0.0		 4qb9A-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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		5 PHE A 707
PHE A 831
THR A 703
GLU A 727
TYR A 719
 None
 1.26A 4qb9A-3ibjA:
0.0		 4qb9A-3ibjA:
20.63
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.
3vxc PUTATIVE
SUGAR-BINDING
LIPOPROTEIN

(Streptomyces
thermoviolaceus) 		PF01547
(SBP_bac_1) 		5 PHE A 381
THR A 290
ASP A  46
ASP A  47
GLY A 293
 None
None
BXP  A 601 (-3.1A)
None
None
 1.45A 4qb9A-3vxcA:
0.0		 4qb9A-3vxcA:
23.30
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
 1.29A 4qb9A-3zuhA:
undetectable		 4qb9A-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.
4ads PDX2 PROTEIN

(Plasmodium
falciparum) 		PF01174
(SNO) 		5 PHE G 112
PHE G 110
GLU G 198
ASP G  14
GLY G  52
 None
 1.46A 4qb9A-4adsG:
undetectable		 4qb9A-4adsG:
17.36
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 PHE A 476
GLU A 504
ASP A 499
TYR A  91
GLY A  90
 None
 1.21A 4qb9A-4aefA:
undetectable		 4qb9A-4aefA:
21.90
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
 1.38A 4qb9A-4h2hA:
undetectable		 4qb9A-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.
4hac MEVALONATE KINASE

(Methanosarcina
mazei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 SER A 142
THR A  33
SER A   5
ASP A  83
TYR A  61
 None
 1.31A 4qb9A-4hacA:
undetectable		 4qb9A-4hacA:
26.76
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.
4o3x TRANSFERRIN BINDING
PROTEIN B

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		5 SER B 149
PHE B 245
SER B 180
GLU B 112
ASP B  92
 None
 1.36A 4qb9A-4o3xB:
undetectable		 4qb9A-4o3xB:
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.
4q80 SERINE PROTEASE 57

(Homo sapiens) 		PF00089
(Trypsin) 		5 SER A 145
PHE A 148
SER A 192
ASP A 226
GLY A 221
 None
None
2YS  A 304 (-4.4A)
None
None
 1.44A 4qb9A-4q80A:
undetectable		 4qb9A-4q80A:
22.22
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.
4wuu IMMUNOGLOBULIN HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER E  28
PHE E  32
SER E  77
TYR E  55
GLY E  54
 None
 1.48A 4qb9A-4wuuE:
undetectable		 4qb9A-4wuuE:
17.97
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.
5int PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE

(Bacillus
anthracis) 		PF04127
(DFP) 		5 SER A 211
PHE A 210
THR A 273
TYR A 217
GLY A 216
 None
 1.44A 4qb9A-5intA:
undetectable		 4qb9A-5intA:
19.04
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
 1.11A 4qb9A-5j72A:
undetectable		 4qb9A-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.
5jwz CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF02012
(BNR) 		5 THR A 281
GLU A 201
ASP A 212
ASP A 200
GLY A 256
 None
 1.47A 4qb9A-5jwzA:
undetectable		 4qb9A-5jwzA:
21.64
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.
5sv6 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 3

(Methylophaga
aminisulfidivorans) 		PF00497
(SBP_bac_3) 		5 SER A 249
THR A 109
GLU A 242
ASP A 111
GLY A 103
 None
 1.46A 4qb9A-5sv6A:
undetectable		 4qb9A-5sv6A:
24.82
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.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		5 PHE A 339
SER A 211
ASP A 216
TYR A 235
GLY A 353
 None
 1.49A 4qb9A-5t81A:
undetectable		 4qb9A-5t81A:
26.87
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
 1.47A 4qb9A-5x41M:
undetectable		 4qb9A-5x41M:
24.50
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.
6byi BETA-MANNOSIDASE

(Xanthomonas
citri) 		no annotation 5 SER A 680
SER A 677
ASP A 215
TYR A 576
GLY A 577
 None
None
BMA  A 901 (-2.9A)
None
None
 1.39A 4qb9A-6byiA:
undetectable		 4qb9A-6byiA:
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.
6cri

() 		no annotation 5 PHE S 107
GLU M 368
ASP S  25
TYR G  61
GLY G  60
 None
 1.46A 4qb9A-6criS:
undetectable		 4qb9A-6criS:
undetectable