SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG1_B_CHDB1085_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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.22A 3ag1A-1k5sB:
0.9
3ag1B-1k5sB:
0.0
3ag1T-1k5sB:
0.0		 3ag1A-1k5sB:
20.53
3ag1B-1k5sB:
17.45
3ag1T-1k5sB:
12.50
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		5 GLY A 228
THR A 275
ARG A 176
ARG A 232
GLY A 214
 None
None
None
CIR  A 500 (-2.9A)
None
 1.50A 3ag1A-1lxyA:
0.0
3ag1B-1lxyA:
0.0
3ag1T-1lxyA:
0.0		 3ag1A-1lxyA:
20.50
3ag1B-1lxyA:
19.56
3ag1T-1lxyA:
12.53
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.
1rie RIESKE IRON-SULFUR
PROTEIN

(Bos taurus) 		PF00355
(Rieske) 		5 GLN A 108
GLU A 105
ARG A 172
PHE A 153
GLY A 151
 None
 1.40A 3ag1A-1rieA:
undetectable
3ag1B-1rieA:
0.2
3ag1T-1rieA:
0.0		 3ag1A-1rieA:
12.32
3ag1B-1rieA:
18.70
3ag1T-1rieA:
21.49
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLN A 177
THR A 165
ARG A 197
ARG A 201
GLY A 234
 None
None
NAD  A 600 (-3.9A)
None
None
 1.49A 3ag1A-1x87A:
0.1
3ag1B-1x87A:
0.0
3ag1T-1x87A:
0.0		 3ag1A-1x87A:
20.44
3ag1B-1x87A:
18.23
3ag1T-1x87A:
9.12
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A  79
GLN A  62
GLU A  80
PHE A 464
GLY A 190
 None
None
None
None
FAD  A 501 (-3.4A)
 1.45A 3ag1A-1zr6A:
0.0
3ag1B-1zr6A:
0.0
3ag1T-1zr6A:
0.0		 3ag1A-1zr6A:
21.86
3ag1B-1zr6A:
17.47
3ag1T-1zr6A:
10.75
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 GLY A  67
GLN A  71
GLU A  40
ARG A  90
GLY A 105
 NLG  A1302 (-3.3A)
None
None
NLG  A1302 (-4.3A)
None
 1.33A 3ag1A-2bufA:
0.0
3ag1B-2bufA:
0.0
3ag1T-2bufA:
0.0		 3ag1A-2bufA:
22.06
3ag1B-2bufA:
21.69
3ag1T-2bufA:
14.04
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.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		5 GLY A 214
THR A 226
THR A 227
ARG A 153
GLY A 147
 None
 1.42A 3ag1A-2cdqA:
0.9
3ag1B-2cdqA:
0.0
3ag1T-2cdqA:
0.0		 3ag1A-2cdqA:
22.15
3ag1B-2cdqA:
20.65
3ag1T-2cdqA:
9.92
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.
2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 MET A1029
GLY A1030
TRP A1026
GLN A1104
THR A1069
 None
 1.34A 3ag1A-2nlkA:
0.0
3ag1B-2nlkA:
1.1
3ag1T-2nlkA:
0.0		 3ag1A-2nlkA:
21.20
3ag1B-2nlkA:
16.56
3ag1T-2nlkA:
8.51
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A 143
THR A  63
ARG A 113
PHE A  58
GLY A  22
 GLY  A 143 ( 0.0A)
THR  A  63 ( 0.8A)
ARG  A 113 ( 0.6A)
PHE  A  58 ( 1.3A)
GLY  A  22 ( 0.0A)
 0.95A 3ag1A-2nvvA:
0.0
3ag1B-2nvvA:
0.0
3ag1T-2nvvA:
0.0		 3ag1A-2nvvA:
22.39
3ag1B-2nvvA:
18.90
3ag1T-2nvvA:
10.94
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 381
TRP A 351
THR A 435
THR A 434
GLY A 350
 None
None
None
SO4  A1481 (-4.0A)
None
 1.35A 3ag1A-2xhyA:
0.0
3ag1B-2xhyA:
undetectable
3ag1T-2xhyA:
undetectable		 3ag1A-2xhyA:
20.62
3ag1B-2xhyA:
18.60
3ag1T-2xhyA:
10.37
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 MET A 179
GLU A 170
ARG A 230
PHE A 224
GLY A 222
 None
 1.37A 3ag1A-3bt7A:
undetectable
3ag1B-3bt7A:
undetectable
3ag1T-3bt7A:
undetectable		 3ag1A-3bt7A:
20.94
3ag1B-3bt7A:
20.40
3ag1T-3bt7A:
13.92
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.24A 3ag1A-3ce6A:
undetectable
3ag1B-3ce6A:
undetectable
3ag1T-3ce6A:
undetectable		 3ag1A-3ce6A:
22.59
3ag1B-3ce6A:
18.09
3ag1T-3ce6A:
12.00
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 MET A 402
GLY A 399
THR A 392
ARG A 375
GLY A 484
 None
 1.44A 3ag1A-3cvrA:
0.6
3ag1B-3cvrA:
undetectable
3ag1T-3cvrA:
undetectable		 3ag1A-3cvrA:
22.78
3ag1B-3cvrA:
18.50
3ag1T-3cvrA:
9.07
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 GLY A 153
THR A 129
ARG A 112
PHE A 104
GLY A  83
 None
 1.39A 3ag1A-3fgbA:
undetectable
3ag1B-3fgbA:
undetectable
3ag1T-3fgbA:
undetectable		 3ag1A-3fgbA:
20.44
3ag1B-3fgbA:
21.47
3ag1T-3fgbA:
13.33
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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 GLY A 285
GLU A 233
ARG A  41
ARG A  38
GLY A  53
 None
 1.23A 3ag1A-3hdjA:
undetectable
3ag1B-3hdjA:
undetectable
3ag1T-3hdjA:
undetectable		 3ag1A-3hdjA:
20.63
3ag1B-3hdjA:
20.69
3ag1T-3hdjA:
12.86
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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 GLY A 199
GLN A 202
THR A 203
ARG A 137
GLY A 275
 None
 1.49A 3ag1A-3hn0A:
undetectable
3ag1B-3hn0A:
undetectable
3ag1T-3hn0A:
undetectable		 3ag1A-3hn0A:
19.48
3ag1B-3hn0A:
21.92
3ag1T-3hn0A:
15.47
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.
3j4u MAJOR CAPSID PROTEIN

(Bordetella
virus BPP1) 		no annotation 5 MET A  87
GLY A  88
GLN A 126
THR A 125
GLY A 144
 None
 1.49A 3ag1A-3j4uA:
undetectable
3ag1B-3j4uA:
undetectable
3ag1T-3j4uA:
undetectable		 3ag1A-3j4uA:
21.07
3ag1B-3j4uA:
21.30
3ag1T-3j4uA:
14.44
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 118
GLN A  14
GLU A  57
THR A  39
GLY A  62
 None
 1.48A 3ag1A-3jzvA:
undetectable
3ag1B-3jzvA:
undetectable
3ag1T-3jzvA:
undetectable		 3ag1A-3jzvA:
14.20
3ag1B-3jzvA:
18.18
3ag1T-3jzvA:
18.01
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 GLY A 133
THR A 368
THR A 366
PHE A 211
GLY A 312
 HEM  A1500 (-3.5A)
None
None
None
None
 1.43A 3ag1A-3ut2A:
0.8
3ag1B-3ut2A:
undetectable
3ag1T-3ut2A:
undetectable		 3ag1A-3ut2A:
21.57
3ag1B-3ut2A:
14.81
3ag1T-3ut2A:
8.24
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A 214
GLU A 201
THR A 230
THR A 231
GLY A  94
 None
 1.34A 3ag1A-3wy7A:
0.1
3ag1B-3wy7A:
undetectable
3ag1T-3wy7A:
undetectable		 3ag1A-3wy7A:
21.19
3ag1B-3wy7A:
19.49
3ag1T-3wy7A:
12.93
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 MET A 566
GLY A 565
THR A 544
PHE A 559
GLY A 552
 None
 1.45A 3ag1A-4cgyA:
2.0
3ag1B-4cgyA:
undetectable
3ag1T-4cgyA:
undetectable		 3ag1A-4cgyA:
20.21
3ag1B-4cgyA:
12.96
3ag1T-4cgyA:
9.36
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
GLU A 505
THR A 482
PHE A 444
GLY A 643
 None
 1.28A 3ag1A-4cu8A:
undetectable
3ag1B-4cu8A:
undetectable
3ag1T-4cu8A:
undetectable		 3ag1A-4cu8A:
20.58
3ag1B-4cu8A:
14.29
3ag1T-4cu8A:
7.93
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 GLY A 597
THR A 482
THR A 483
PHE A 444
GLY A 643
 None
 1.39A 3ag1A-4cu8A:
undetectable
3ag1B-4cu8A:
undetectable
3ag1T-4cu8A:
undetectable		 3ag1A-4cu8A:
20.58
3ag1B-4cu8A:
14.29
3ag1T-4cu8A:
7.93
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 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.26A 3ag1A-4pelB:
0.8
3ag1B-4pelB:
undetectable
3ag1T-4pelB:
undetectable		 3ag1A-4pelB:
21.29
3ag1B-4pelB:
17.12
3ag1T-4pelB:
9.81
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.
5g3z ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 GLU A  18
THR A  15
THR A 136
ARG A  71
GLY A  32
 None
AP5  A1217 (-3.6A)
AP5  A1217 (-3.1A)
None
AP5  A1217 (-3.6A)
 1.39A 3ag1A-5g3zA:
undetectable
3ag1B-5g3zA:
undetectable
3ag1T-5g3zA:
undetectable		 3ag1A-5g3zA:
15.80
3ag1B-5g3zA:
23.05
3ag1T-5g3zA:
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 GLY A 104
THR A 333
THR A 331
PHE A 182
GLY A 277
 HEM  A 801 (-3.4A)
None
None
None
None
 1.46A 3ag1A-5kqiA:
0.3
3ag1B-5kqiA:
undetectable
3ag1T-5kqiA:
undetectable		 3ag1A-5kqiA:
20.60
3ag1B-5kqiA:
16.18
3ag1T-5kqiA:
8.52
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 543
GLY A 541
GLU A 478
THR A 475
GLY A 534
 None
 1.46A 3ag1A-5u25A:
undetectable
3ag1B-5u25A:
undetectable
3ag1T-5u25A:
undetectable		 3ag1A-5u25A:
20.66
3ag1B-5u25A:
15.97
3ag1T-5u25A:
9.34
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 GLY A 519
GLU A 518
THR A  16
THR A 252
PHE A  22
 None
 1.42A 3ag1A-5yb7A:
undetectable
3ag1B-5yb7A:
undetectable
3ag1T-5yb7A:
undetectable		 3ag1A-5yb7A:
undetectable
3ag1B-5yb7A:
undetectable
3ag1T-5yb7A:
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.
6d6v TELOMERASE-ASSOCIATE
D PROTEIN 82
TELOMERASE
HOLOENZYME TEB2
SUBUNIT

(Tetrahymena
thermophila;
Tetrahymena
thermophila) 		no annotation
no annotation 		5 GLN D 522
GLU D 519
THR D 595
PHE E 177
GLY E 173
 None
 1.31A 3ag1A-6d6vD:
undetectable
3ag1B-6d6vD:
undetectable
3ag1T-6d6vD:
undetectable		 3ag1A-6d6vD:
undetectable
3ag1B-6d6vD:
undetectable
3ag1T-6d6vD:
undetectable