SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG4_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.
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 3ag4G-1k5sB:
0.0
3ag4N-1k5sB:
0.7
3ag4O-1k5sB:
0.0		 3ag4G-1k5sB:
12.50
3ag4N-1k5sB:
20.53
3ag4O-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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 174
GLY A 181
GLU A 112
THR A 117
THR A 113
 None
 1.41A 3ag4G-2quaA:
0.0
3ag4N-2quaA:
0.0
3ag4O-2quaA:
0.5		 3ag4G-2quaA:
9.09
3ag4N-2quaA:
21.91
3ag4O-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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		5 ARG A 171
PHE A 192
GLY A 273
GLY A 291
THR A 328
 None
None
C5P  A1344 (-3.2A)
None
None
 1.49A 3ag4G-2wnbA:
0.0
3ag4N-2wnbA:
0.0
3ag4O-2wnbA:
0.0		 3ag4G-2wnbA:
14.73
3ag4N-2wnbA:
17.88
3ag4O-2wnbA:
18.98
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)
 1.35A 3ag4G-2xhyA:
0.0
3ag4N-2xhyA:
0.0
3ag4O-2xhyA:
0.0		 3ag4G-2xhyA:
10.37
3ag4N-2xhyA:
20.62
3ag4O-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
 1.42A 3ag4G-3bt7A:
0.0
3ag4N-3bt7A:
0.0
3ag4O-3bt7A:
0.0		 3ag4G-3bt7A:
13.92
3ag4N-3bt7A:
20.94
3ag4O-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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.30A 3ag4G-3ce6A:
0.0
3ag4N-3ce6A:
0.0
3ag4O-3ce6A:
0.0		 3ag4G-3ce6A:
12.00
3ag4N-3ce6A:
22.59
3ag4O-3ce6A:
18.09
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
 1.43A 3ag4G-3cvrA:
0.0
3ag4N-3cvrA:
2.0
3ag4O-3cvrA:
0.0		 3ag4G-3cvrA:
9.07
3ag4N-3cvrA:
22.78
3ag4O-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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 ARG A  41
ARG A  38
GLY A  53
GLY A 285
GLU A 233
 None
 1.26A 3ag4G-3hdjA:
0.0
3ag4N-3hdjA:
0.0
3ag4O-3hdjA:
0.0		 3ag4G-3hdjA:
12.86
3ag4N-3hdjA:
20.63
3ag4O-3hdjA:
20.69
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 ARG A 137
ARG A 135
PHE A 161
GLY A 184
GLY A  18
 None
 1.11A 3ag4G-3s9bA:
0.0
3ag4N-3s9bA:
undetectable
3ag4O-3s9bA:
0.0		 3ag4G-3s9bA:
15.53
3ag4N-3s9bA:
19.00
3ag4O-3s9bA:
21.01
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.
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
 1.35A 3ag4G-3wy7A:
undetectable
3ag4N-3wy7A:
0.0
3ag4O-3wy7A:
undetectable		 3ag4G-3wy7A:
12.93
3ag4N-3wy7A:
21.19
3ag4O-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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 PHE A 559
GLY A 552
MET A 566
GLY A 565
THR A 544
 None
 1.42A 3ag4G-4cgyA:
undetectable
3ag4N-4cgyA:
1.8
3ag4O-4cgyA:
undetectable		 3ag4G-4cgyA:
9.36
3ag4N-4cgyA:
20.21
3ag4O-4cgyA:
12.96
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
 1.35A 3ag4G-4cu8A:
undetectable
3ag4N-4cu8A:
undetectable
3ag4O-4cu8A:
undetectable		 3ag4G-4cu8A:
7.93
3ag4N-4cu8A:
20.58
3ag4O-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
 1.45A 3ag4G-4cu8A:
undetectable
3ag4N-4cu8A:
undetectable
3ag4O-4cu8A:
undetectable		 3ag4G-4cu8A:
7.93
3ag4N-4cu8A:
20.58
3ag4O-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.
4j05 PHOSPHATE
TRANSPORTER

(Serendipita
indica) 		PF00083
(Sugar_tr) 		5 PHE A 493
GLY A 492
GLY A 315
THR A 433
THR A 434
 None
 1.16A 3ag4G-4j05A:
undetectable
3ag4N-4j05A:
1.4
3ag4O-4j05A:
undetectable		 3ag4G-4j05A:
10.88
3ag4N-4j05A:
23.83
3ag4O-4j05A:
17.55
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 ARG A 253
PHE A 119
GLY A 153
MET A 175
THR A  67
 None
 1.36A 3ag4G-4qdgA:
undetectable
3ag4N-4qdgA:
undetectable
3ag4O-4qdgA:
undetectable		 3ag4G-4qdgA:
13.97
3ag4N-4qdgA:
20.49
3ag4O-4qdgA:
23.20
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 594
GLY A 593
GLY A 323
THR A 359
THR A 360
 None
 1.50A 3ag4G-5dmyA:
undetectable
3ag4N-5dmyA:
undetectable
3ag4O-5dmyA:
undetectable		 3ag4G-5dmyA:
7.13
3ag4N-5dmyA:
19.59
3ag4O-5dmyA:
12.15
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 ARG B  94
PHE B 100
GLY B  92
GLY B  39
THR B  73
 None
 1.24A 3ag4G-5gq0B:
undetectable
3ag4N-5gq0B:
undetectable
3ag4O-5gq0B:
undetectable		 3ag4G-5gq0B:
12.46
3ag4N-5gq0B:
20.15
3ag4O-5gq0B:
18.62
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.
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
 1.48A 3ag4G-5kqiA:
undetectable
3ag4N-5kqiA:
0.1
3ag4O-5kqiA:
undetectable		 3ag4G-5kqiA:
8.52
3ag4N-5kqiA:
20.60
3ag4O-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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 PHE A  22
GLY A 519
GLU A 518
THR A  16
THR A 252
 None
 1.46A 3ag4G-5yb7A:
undetectable
3ag4N-5yb7A:
undetectable
3ag4O-5yb7A:
undetectable		 3ag4G-5yb7A:
undetectable
3ag4N-5yb7A:
undetectable
3ag4O-5yb7A:
undetectable