SIMILAR PATTERNS OF AMINO ACIDS FOR 1DGM_A_ADNA375_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.
1ur1 ENDOXYLANASE

(Cellvibrio
mixtus) 		PF00331
(Glyco_hydro_10) 		5 ILE A 230
GLY A 229
ASN A 198
LEU A 263
ASP A 153
 None
 1.38A 1dgmA-1ur1A:
2.5		 1dgmA-1ur1A:
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASN A   8
ASP A  12
GLY A  40
ASN A  44
ASP A 261
 None
ACT  A 321 (-3.1A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
 1.14A 1dgmA-2ajrA:
25.1		 1dgmA-2ajrA:
24.42
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
ASN A  41
LEU A 103
ASP A 255
 None
None
None
None
ATP  A 411 (-4.1A)
 1.05A 1dgmA-2f02A:
26.5		 1dgmA-2f02A:
25.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		7 ASN A  14
ASP A  18
GLY A  64
ASN A  68
CYH A 123
LEU A 134
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
None
None
None
 0.55A 1dgmA-2i6bA:
43.0		 1dgmA-2i6bA:
32.17
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.
2jgv TAGATOSE-6-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
ASN A  41
CYH A  90
ASP A 254
 None
 1.04A 1dgmA-2jgvA:
26.5		 1dgmA-2jgvA:
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.
2op6 HEAT SHOCK 70 KDA
PROTEIN D

(Caenorhabditis
elegans) 		PF00012
(HSP70) 		5 ASN A 530
ILE A 510
ASP A 506
GLY A 509
ASP A 420
 None
 1.14A 1dgmA-2op6A:
undetectable		 1dgmA-2op6A:
19.61
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ILE A 376
GLY A 377
ASN A 398
LEU A 368
TYR A 346
 None
 1.08A 1dgmA-2w20A:
undetectable		 1dgmA-2w20A:
22.25
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.
2w40 GLYCEROL KINASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 252
ASN A 220
CYH A 251
LEU A 273
ASP A 181
 None
 1.43A 1dgmA-2w40A:
undetectable		 1dgmA-2w40A:
21.77
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.
2xr4 LECTIN

(Burkholderia
cenocepacia) 		PF07472
(PA-IIL) 		5 ASN A 104
ILE A 107
GLY A 106
LEU A  52
ASP A  97
 None
 1.47A 1dgmA-2xr4A:
undetectable		 1dgmA-2xr4A:
13.66
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.
3d1r FRUCTOSE-1,6-BISPHOS
PHATASE CLASS II
GLPX

(Escherichia
coli) 		PF03320
(FBPase_glpX) 		5 ASN A  48
ILE A  49
GLY A  73
ASN A  45
LEU A 104
 None
 1.30A 1dgmA-3d1rA:
undetectable		 1dgmA-3d1rA:
23.76
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'

(Sulfolobus
solfataricus) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ILE A 496
GLY A 497
ASN A 605
LEU A 445
TYR A 502
 None
 1.43A 1dgmA-3hkzA:
undetectable		 1dgmA-3hkzA:
16.96
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ASN A 138
ASP A  12
GLY A  38
ASN A  42
ASP A 232
 None
 1.20A 1dgmA-3i3yA:
27.1		 1dgmA-3i3yA:
25.45
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.
3i9f PUTATIVE TYPE 11
METHYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF08241
(Methyltransf_11) 		5 ASN A  62
ASP A  37
GLY A  41
ASN A  42
CYH A  58
 None
 1.05A 1dgmA-3i9fA:
3.3		 1dgmA-3i9fA:
18.96
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		5 ILE A  13
ASP A  15
GLY A  42
ASN A  46
ASP A 260
 None
 0.73A 1dgmA-3in1A:
31.1		 1dgmA-3in1A:
27.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		5 ASN A  14
ASP A  18
GLY A  64
ASN A  68
ASP A 300
 B4P  A 349 ( 4.0A)
B4P  A 349 (-2.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.4A)
 0.56A 1dgmA-3looA:
35.5		 1dgmA-3looA:
33.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		5 ASP A  18
GLY A  64
ASN A  68
CYH A 122
LEU A 133
 B4P  A 349 (-2.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.6A)
B4P  A 349 (-4.5A)
 0.51A 1dgmA-3looA:
35.5		 1dgmA-3looA:
33.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		5 ASN A  13
ASP A  17
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.45A 1dgmA-3otxA:
40.3		 1dgmA-3otxA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  63
ASN A  67
CYH A 123
ASP A 299
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 ( 3.2A)
 0.65A 1dgmA-3otxA:
40.3		 1dgmA-3otxA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  63
ASN A  67
CYH A 123
LEU A 134
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 ( 4.4A)
 0.69A 1dgmA-3otxA:
40.3		 1dgmA-3otxA:
34.99
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 ASP A  19
GLY A  41
ASN A  45
LEU A 109
ASP A 264
 None
 0.64A 1dgmA-3pl2A:
30.6		 1dgmA-3pl2A:
25.78
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.
3pvl MYOSIN VIIA ISOFORM
1

(Mus musculus) 		PF00784
(MyTH4) 		5 ASN A1615
ILE A1614
ASP A1598
GLY A1613
ASN A1612
 None
 1.42A 1dgmA-3pvlA:
undetectable		 1dgmA-3pvlA:
20.46
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		5 ASN A  11
GLY A  59
ASN A  63
TYR A 158
ASP A 278
 ADN  A 353 (-3.7A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.6A)
ADN  A 353 (-3.3A)
 0.23A 1dgmA-3uboA:
35.3		 1dgmA-3uboA:
28.21
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		6 ASN A  11
ILE A  13
ASP A  15
GLY A  59
ASN A  63
ASP A 278
 ADN  A 353 (-3.7A)
ADN  A 353 (-3.7A)
ADN  A 353 (-2.8A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
 0.67A 1dgmA-3uboA:
35.3		 1dgmA-3uboA:
28.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		5 ASN A  14
ASP A  18
GLY A  64
ASN A  68
ASP A 302
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-2.9A)
 0.51A 1dgmA-3vasA:
41.4		 1dgmA-3vasA:
31.22
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 ASN A   9
GLY A  57
ASN A  61
TYR A 156
ASP A 276
 ADN  A 500 (-3.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.8A)
ADN  A 500 (-2.8A)
 0.25A 1dgmA-4e3aA:
36.2		 1dgmA-4e3aA:
27.96
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		6 ASN A   9
ILE A  11
ASP A  13
GLY A  57
ASN A  61
ASP A 276
 ADN  A 500 (-3.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-2.8A)
 0.63A 1dgmA-4e3aA:
36.2		 1dgmA-4e3aA:
27.96
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.
4qo6 ADENYLATE
CYCLASE-LIKE PROTEIN

(Chlamydia
trachomatis) 		PF04972
(BON) 		5 ASN A 621
ILE A 623
ASP A 625
GLY A 594
LEU A 683
 None
 1.42A 1dgmA-4qo6A:
undetectable		 1dgmA-4qo6A:
20.27
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.
4zdk CTP SYNTHASE

(Mycobacterium
tuberculosis) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 ILE A 376
GLY A 374
CYH A 398
LEU A 394
ASP A 343
 None
None
None
ONL  A 601 ( 4.1A)
None
 1.46A 1dgmA-4zdkA:
undetectable		 1dgmA-4zdkA:
21.05
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.
5c3o THYMINE DIOXYGENASE

(Neurospora
crassa) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 ASN A 187
ILE A 188
GLY A 124
ASN A 133
LEU A 191
 None
 1.23A 1dgmA-5c3oA:
undetectable		 1dgmA-5c3oA:
22.86
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ASN B 383
ILE B 382
GLY B 379
LEU B 254
TYR B 380
 None
 1.34A 1dgmA-5ip9B:
undetectable		 1dgmA-5ip9B:
14.99
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.
5nsq AMINOPEPTIDASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00883
(Peptidase_M17) 		5 ILE A 256
GLY A 255
CYH A 340
LEU A 378
TYR A 351
 None
 1.45A 1dgmA-5nsqA:
undetectable		 1dgmA-5nsqA:
22.26
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.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		5 ILE A 264
GLY A 263
CYH A 358
LEU A 396
TYR A 369
 None
 1.44A 1dgmA-5nthA:
undetectable		 1dgmA-5nthA:
24.08
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.
5ydg MULTIPLE ORGANELLAR
RNA EDITING FACTOR
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 ASP A 161
GLY A 138
ASN A 128
LEU A 159
TYR A 108
 None
 1.41A 1dgmA-5ydgA:
undetectable		 1dgmA-5ydgA:
13.73