SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG1_O_CHDO229_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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.28A 3ag1G-1dgjA:
0.0
3ag1N-1dgjA:
0.0
3ag1O-1dgjA:
0.0		 3ag1G-1dgjA:
6.46
3ag1N-1dgjA:
20.43
3ag1O-1dgjA:
13.47
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.20A 3ag1G-1k5sB:
0.0
3ag1N-1k5sB:
0.0
3ag1O-1k5sB:
0.0		 3ag1G-1k5sB:
12.50
3ag1N-1k5sB:
20.53
3ag1O-1k5sB:
17.45
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.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 PHE A  14
GLY A  15
GLY A 240
GLN A 247
THR A 141
 None
None
None
None
APR  A 389 (-2.7A)
 1.16A 3ag1G-1rrmA:
0.0
3ag1N-1rrmA:
0.1
3ag1O-1rrmA:
0.0		 3ag1G-1rrmA:
10.57
3ag1N-1rrmA:
22.45
3ag1O-1rrmA:
19.24
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 ARG A  90
GLY A 105
GLY A  67
GLN A  71
GLU A  40
 NLG  A1302 (-4.3A)
None
NLG  A1302 (-3.3A)
None
None
 1.25A 3ag1G-2bufA:
0.0
3ag1N-2bufA:
0.0
3ag1O-2bufA:
0.0		 3ag1G-2bufA:
14.04
3ag1N-2bufA:
22.06
3ag1O-2bufA:
21.69
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.
2d42 NON-TOXIC CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 GLY A  93
GLY A 123
GLN A  89
THR A 228
THR A 168
 None
 1.29A 3ag1G-2d42A:
0.0
3ag1N-2d42A:
undetectable
3ag1O-2d42A:
0.0		 3ag1G-2d42A:
14.80
3ag1N-2d42A:
20.24
3ag1O-2d42A:
22.30
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.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		5 ARG A 339
GLY A 240
GLY A 146
GLU A 148
THR A 255
 None
 1.15A 3ag1G-2jbwA:
0.0
3ag1N-2jbwA:
0.0
3ag1O-2jbwA:
0.0		 3ag1G-2jbwA:
12.40
3ag1N-2jbwA:
21.76
3ag1O-2jbwA:
21.21
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 174
GLY A 181
GLU A 112
THR A 117
THR A 113
 None
 1.39A 3ag1G-2quaA:
0.0
3ag1N-2quaA:
0.0
3ag1O-2quaA:
0.4		 3ag1G-2quaA:
9.09
3ag1N-2quaA:
21.91
3ag1O-2quaA:
15.42
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.
2va1 URIDYLATE KINASE

(Ureaplasma
parvum) 		PF00696
(AA_kinase) 		5 GLY A  56
MET A  72
GLY A  73
THR A 137
THR A 138
 None
None
None
None
PO4  A1236 (-3.2A)
 1.49A 3ag1G-2va1A:
0.0
3ag1N-2va1A:
0.3
3ag1O-2va1A:
0.0		 3ag1G-2va1A:
14.29
3ag1N-2va1A:
17.28
3ag1O-2va1A:
17.84
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 350
GLY A 381
TRP A 351
THR A 435
THR A 434
 None
None
None
None
SO4  A1481 (-4.0A)
 1.38A 3ag1G-2xhyA:
0.0
3ag1N-2xhyA:
0.1
3ag1O-2xhyA:
0.0		 3ag1G-2xhyA:
10.37
3ag1N-2xhyA:
20.62
3ag1O-2xhyA:
18.60
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 ARG A 230
PHE A 224
GLY A 222
MET A 179
GLU A 170
 None
 1.38A 3ag1G-3bt7A:
undetectable
3ag1N-3bt7A:
0.0
3ag1O-3bt7A:
undetectable		 3ag1G-3bt7A:
13.92
3ag1N-3bt7A:
20.94
3ag1O-3bt7A:
20.40
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 ARG A 375
GLY A 484
MET A 402
GLY A 399
THR A 392
 None
 1.45A 3ag1G-3cvrA:
undetectable
3ag1N-3cvrA:
1.5
3ag1O-3cvrA:
undetectable		 3ag1G-3cvrA:
9.07
3ag1N-3cvrA:
22.78
3ag1O-3cvrA:
18.50
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.
3eag UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MESO-DIAMINOP
IMELATE LIGASE

(Neisseria
meningitidis) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 ARG A 233
ARG A 288
GLY A 257
TRP A 258
THR A 277
 None
 1.32A 3ag1G-3eagA:
undetectable
3ag1N-3eagA:
undetectable
3ag1O-3eagA:
undetectable		 3ag1G-3eagA:
13.46
3ag1N-3eagA:
23.18
3ag1O-3eagA:
21.26
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 ARG A 112
PHE A 104
GLY A  83
GLY A 153
THR A 129
 None
 1.37A 3ag1G-3fgbA:
undetectable
3ag1N-3fgbA:
undetectable
3ag1O-3fgbA:
undetectable		 3ag1G-3fgbA:
13.33
3ag1N-3fgbA:
20.44
3ag1O-3fgbA:
21.47
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.
3jzv UNCHARACTERIZED
PROTEIN RRU_A2000

(Rhodospirillum
rubrum) 		PF07883
(Cupin_2) 		5 GLY A  62
GLY A 118
GLN A  14
GLU A  57
THR A  39
 None
 1.45A 3ag1G-3jzvA:
undetectable
3ag1N-3jzvA:
undetectable
3ag1O-3jzvA:
undetectable		 3ag1G-3jzvA:
18.01
3ag1N-3jzvA:
14.20
3ag1O-3jzvA:
18.18
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.
3rxz POLYSACCHARIDE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		PF01522
(Polysacc_deac_1) 		5 ARG A 245
GLY A  60
GLN A  53
GLU A  33
THR A  83
 None
 1.26A 3ag1G-3rxzA:
undetectable
3ag1N-3rxzA:
undetectable
3ag1O-3rxzA:
undetectable		 3ag1G-3rxzA:
15.81
3ag1N-3rxzA:
20.83
3ag1O-3rxzA:
22.07
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		5 PHE A 211
GLY A 312
GLY A 133
THR A 368
THR A 366
 None
None
HEM  A1500 (-3.5A)
None
None
 1.41A 3ag1G-3ut2A:
undetectable
3ag1N-3ut2A:
undetectable
3ag1O-3ut2A:
undetectable		 3ag1G-3ut2A:
8.24
3ag1N-3ut2A:
21.57
3ag1O-3ut2A:
14.81
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A  94
GLY A 214
GLU A 201
THR A 230
THR A 231
 None
 1.31A 3ag1G-3wy7A:
undetectable
3ag1N-3wy7A:
1.2
3ag1O-3wy7A:
undetectable		 3ag1G-3wy7A:
12.93
3ag1N-3wy7A:
21.19
3ag1O-3wy7A:
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		5 PHE A 416
GLY A 418
MET A 186
GLU A 161
THR A 164
 None
 1.44A 3ag1G-4ainA:
undetectable
3ag1N-4ainA:
0.1
3ag1O-4ainA:
undetectable		 3ag1G-4ainA:
10.95
3ag1N-4ainA:
24.35
3ag1O-4ainA:
17.16
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 444
GLY A 643
GLY A 597
GLU A 505
THR A 482
 None
 1.27A 3ag1G-4cu8A:
undetectable
3ag1N-4cu8A:
undetectable
3ag1O-4cu8A:
undetectable		 3ag1G-4cu8A:
7.93
3ag1N-4cu8A:
20.58
3ag1O-4cu8A:
14.29
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 444
GLY A 643
GLY A 597
THR A 482
THR A 483
 None
 1.35A 3ag1G-4cu8A:
undetectable
3ag1N-4cu8A:
undetectable
3ag1O-4cu8A:
undetectable		 3ag1G-4cu8A:
7.93
3ag1N-4cu8A:
20.58
3ag1O-4cu8A:
14.29
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 PHE A 466
MET A 356
GLY A 355
THR A 110
THR A 112
 None
 1.37A 3ag1G-4j9uA:
undetectable
3ag1N-4j9uA:
3.5
3ag1O-4j9uA:
undetectable		 3ag1G-4j9uA:
10.92
3ag1N-4j9uA:
23.60
3ag1O-4j9uA:
18.89
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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.27A 3ag1G-4pelB:
undetectable
3ag1N-4pelB:
0.8
3ag1O-4pelB:
undetectable		 3ag1G-4pelB:
9.81
3ag1N-4pelB:
21.29
3ag1O-4pelB:
17.12
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.
5g3z ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 ARG A  71
GLY A  32
GLU A  18
THR A  15
THR A 136
 None
AP5  A1217 (-3.6A)
None
AP5  A1217 (-3.6A)
AP5  A1217 (-3.1A)
 1.34A 3ag1G-5g3zA:
undetectable
3ag1N-5g3zA:
undetectable
3ag1O-5g3zA:
undetectable		 3ag1G-5g3zA:
14.29
3ag1N-5g3zA:
15.80
3ag1O-5g3zA:
23.05
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 PHE A 182
GLY A 277
GLY A 104
THR A 333
THR A 331
 None
None
HEM  A 801 (-3.4A)
None
None
 1.45A 3ag1G-5kqiA:
undetectable
3ag1N-5kqiA:
0.1
3ag1O-5kqiA:
undetectable		 3ag1G-5kqiA:
8.52
3ag1N-5kqiA:
20.60
3ag1O-5kqiA:
16.18
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		5 ARG A 427
GLY A 477
GLY A 393
GLU A 422
THR A 481
 None
 1.48A 3ag1G-5l9wA:
undetectable
3ag1N-5l9wA:
undetectable
3ag1O-5l9wA:
undetectable		 3ag1G-5l9wA:
10.49
3ag1N-5l9wA:
22.33
3ag1O-5l9wA:
15.71
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.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase) 		5 PHE B  93
GLY B  96
GLY B 400
GLU B 406
THR B 409
 None
 1.34A 3ag1G-6reqB:
undetectable
3ag1N-6reqB:
0.8
3ag1O-6reqB:
undetectable		 3ag1G-6reqB:
8.67
3ag1N-6reqB:
22.06
3ag1O-6reqB:
16.19