SIMILAR PATTERNS OF AMINO ACIDS FOR 2DYR_O_CHDO229

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
 1.23A 2dyrG-1dgjA:
0.0
2dyrN-1dgjA:
0.0
2dyrO-1dgjA:
0.0		 2dyrG-1dgjA:
6.46
2dyrN-1dgjA:
20.43
2dyrO-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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 ARG A 535
PHE A 423
GLY A 424
GLY A 699
GLN A 657
 MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
 1.13A 2dyrG-1dgjA:
0.0
2dyrN-1dgjA:
0.0
2dyrO-1dgjA:
0.0		 2dyrG-1dgjA:
6.46
2dyrN-1dgjA:
20.43
2dyrO-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
 1.15A 2dyrG-1k5sB:
0.0
2dyrN-1k5sB:
0.0
2dyrO-1k5sB:
0.0		 2dyrG-1k5sB:
12.50
2dyrN-1k5sB:
20.53
2dyrO-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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ARG A 912
PHE A 798
GLY A 800
GLN A1040
THR A1036
 MTE  A3003 ( 3.4A)
MTE  A3003 (-3.6A)
None
MTE  A3003 (-3.6A)
None
 1.44A 2dyrG-1n5xA:
0.0
2dyrN-1n5xA:
0.0
2dyrO-1n5xA:
0.0		 2dyrG-1n5xA:
5.06
2dyrN-1n5xA:
17.39
2dyrO-1n5xA:
10.68
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
 1.38A 2dyrG-2bufA:
0.0
2dyrN-2bufA:
0.0
2dyrO-2bufA:
0.0		 2dyrG-2bufA:
14.04
2dyrN-2bufA:
22.06
2dyrO-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
 1.26A 2dyrG-2d42A:
0.0
2dyrN-2d42A:
undetectable
2dyrO-2d42A:
0.0		 2dyrG-2d42A:
14.80
2dyrN-2d42A:
20.24
2dyrO-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.
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)
 1.32A 2dyrG-2xhyA:
0.0
2dyrN-2xhyA:
0.0
2dyrO-2xhyA:
0.0		 2dyrG-2xhyA:
10.37
2dyrN-2xhyA:
20.62
2dyrO-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
 1.40A 2dyrG-3bt7A:
0.0
2dyrN-3bt7A:
0.0
2dyrO-3bt7A:
0.0		 2dyrG-3bt7A:
13.92
2dyrN-3bt7A:
20.94
2dyrO-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
 1.34A 2dyrG-3ce6A:
0.0
2dyrN-3ce6A:
0.0
2dyrO-3ce6A:
0.0		 2dyrG-3ce6A:
12.00
2dyrN-3ce6A:
22.59
2dyrO-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 2dyrG-3cvrA:
0.0
2dyrN-3cvrA:
0.0
2dyrO-3cvrA:
0.0		 2dyrG-3cvrA:
9.07
2dyrN-3cvrA:
22.78
2dyrO-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.
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
 1.36A 2dyrG-3fgbA:
undetectable
2dyrN-3fgbA:
undetectable
2dyrO-3fgbA:
undetectable		 2dyrG-3fgbA:
13.33
2dyrN-3fgbA:
20.44
2dyrO-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.
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
 1.25A 2dyrG-3hdjA:
undetectable
2dyrN-3hdjA:
0.0
2dyrO-3hdjA:
undetectable		 2dyrG-3hdjA:
12.86
2dyrN-3hdjA:
20.63
2dyrO-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
 1.10A 2dyrG-3s9bA:
undetectable
2dyrN-3s9bA:
undetectable
2dyrO-3s9bA:
undetectable		 2dyrG-3s9bA:
15.53
2dyrN-3s9bA:
19.00
2dyrO-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
 1.40A 2dyrG-3wy7A:
undetectable
2dyrN-3wy7A:
0.0
2dyrO-3wy7A:
undetectable		 2dyrG-3wy7A:
12.93
2dyrN-3wy7A:
21.19
2dyrO-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
 1.37A 2dyrG-4cgyA:
undetectable
2dyrN-4cgyA:
1.7
2dyrO-4cgyA:
undetectable		 2dyrG-4cgyA:
9.36
2dyrN-4cgyA:
20.21
2dyrO-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
 1.30A 2dyrG-4cu8A:
undetectable
2dyrN-4cu8A:
undetectable
2dyrO-4cu8A:
undetectable		 2dyrG-4cu8A:
7.93
2dyrN-4cu8A:
20.58
2dyrO-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
 1.43A 2dyrG-4cu8A:
undetectable
2dyrN-4cu8A:
undetectable
2dyrO-4cu8A:
undetectable		 2dyrG-4cu8A:
7.93
2dyrN-4cu8A:
20.58
2dyrO-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.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		5 PHE A 153
GLY A 133
GLY A 242
THR A 175
THR A 176
 None
 1.46A 2dyrG-4htlA:
undetectable
2dyrN-4htlA:
0.0
2dyrO-4htlA:
undetectable		 2dyrG-4htlA:
14.63
2dyrN-4htlA:
22.05
2dyrO-4htlA:
23.00
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.
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
 1.21A 2dyrG-4j05A:
undetectable
2dyrN-4j05A:
0.3
2dyrO-4j05A:
undetectable		 2dyrG-4j05A:
10.88
2dyrN-4j05A:
23.83
2dyrO-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.
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
 1.23A 2dyrG-4pelB:
undetectable
2dyrN-4pelB:
undetectable
2dyrO-4pelB:
undetectable		 2dyrG-4pelB:
9.81
2dyrN-4pelB:
21.29
2dyrO-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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 ARG A 253
PHE A 119
GLY A 153
MET A 175
THR A  67
 None
 1.39A 2dyrG-4qdgA:
undetectable
2dyrN-4qdgA:
undetectable
2dyrO-4qdgA:
undetectable		 2dyrG-4qdgA:
13.97
2dyrN-4qdgA:
20.49
2dyrO-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.
4zpx ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF13654
(AAA_32) 		5 MET A 233
GLY A 232
GLN A 272
THR A 270
THR A 283
 None
 1.46A 2dyrG-4zpxA:
undetectable
2dyrN-4zpxA:
0.5
2dyrO-4zpxA:
undetectable		 2dyrG-4zpxA:
12.94
2dyrN-4zpxA:
22.98
2dyrO-4zpxA:
19.42
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ARG A 921
PHE A 807
GLY A 808
GLY A1088
GLN A1049
 MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
 1.00A 2dyrG-5epgA:
undetectable
2dyrN-5epgA:
undetectable
2dyrO-5epgA:
undetectable		 2dyrG-5epgA:
5.22
2dyrN-5epgA:
16.15
2dyrO-5epgA:
11.18
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 ARG B  94
PHE B 100
GLY B  92
GLY B  39
THR B  73
 None
 1.21A 2dyrG-5gq0B:
undetectable
2dyrN-5gq0B:
undetectable
2dyrO-5gq0B:
undetectable		 2dyrG-5gq0B:
12.46
2dyrN-5gq0B:
20.15
2dyrO-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.
5i4e MYOSIN-14,ALPHA-ACTI
NIN A

(Homo sapiens;
Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 ARG A 267
PHE A 270
GLY A 470
GLN A 192
GLU A 190
 None
 1.39A 2dyrG-5i4eA:
undetectable
2dyrN-5i4eA:
0.0
2dyrO-5i4eA:
undetectable		 2dyrG-5i4eA:
6.43
2dyrN-5i4eA:
18.49
2dyrO-5i4eA:
13.40
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.
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
 1.50A 2dyrG-5yb7A:
undetectable
2dyrN-5yb7A:
0.2
2dyrO-5yb7A:
undetectable		 2dyrG-5yb7A:
undetectable
2dyrN-5yb7A:
undetectable
2dyrO-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.
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
 1.36A 2dyrG-6reqB:
undetectable
2dyrN-6reqB:
undetectable
2dyrO-6reqB:
undetectable		 2dyrG-6reqB:
8.67
2dyrN-6reqB:
22.06
2dyrO-6reqB:
16.19