SIMILAR PATTERNS OF AMINO ACIDS FOR 1MSK_A_SAMA1301

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.
1jfd INORGANIC
PYROPHOSPHATASE

(Escherichia
coli) 		PF00719
(Pyrophosphatase) 		5 ASP A  67
PRO A  22
TYR A  51
PRO A  52
ALA A  23
 None
 1.44A 1mskA-1jfdA:
0.0		 1mskA-1jfdA:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		10 ASP A 946
ARG A1094
GLU A1097
ARG A1134
PRO A1135
ALA A1136
TYR A1139
PRO A1140
ALA A1141
TYR A1189
 None
B12  A1248 ( 4.9A)
B12  A1248 ( 4.8A)
None
None
B12  A1248 (-3.6A)
B12  A1248 ( 3.8A)
B12  A1248 ( 4.6A)
None
None
 0.85A 1mskA-1k7yA:
49.2		 1mskA-1k7yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1msk COBALAMIN-DEPENDENT
METHIONINE SYNTHASE

(Escherichia
coli) 		PF02965
(Met_synt_B12) 		10 ASP A 946
ARG A1094
GLU A1097
ARG A1134
PRO A1135
ALA A1136
TYR A1139
PRO A1140
ALA A1141
TYR A1189
 SAM  A1301 (-3.5A)
SAM  A1301 (-3.4A)
SAM  A1301 (-4.0A)
SAM  A1301 (-3.7A)
SAM  A1301 (-4.5A)
SAM  A1301 (-3.8A)
SAM  A1301 (-3.8A)
SAM  A1301 ( 4.1A)
SAM  A1301 (-3.1A)
SAM  A1301 (-4.1A)
 0.01A 1mskA-1mskA:
53.9		 1mskA-1mskA:
100.00
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.
1s7g NAD-DEPENDENT
DEACETYLASE 2

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 ARG A 108
ALA A 109
TYR A  83
PRO A  80
ALA A  81
 None
 1.28A 1mskA-1s7gA:
0.0		 1mskA-1s7gA:
21.92
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 ASP A 728
ARG A 569
ALA A 572
ALA A 563
TYR A 567
 None
 1.42A 1mskA-2c4mA:
0.0		 1mskA-2c4mA:
18.48
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.
2hne L-FUCONATE
DEHYDRATASE

(Xanthomonas
campestris) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 324
PRO A 186
ALA A 187
TYR A 402
TYR A 185
 None
 1.25A 1mskA-2hneA:
0.0		 1mskA-2hneA:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o2k METHIONINE SYNTHASE

(Homo sapiens) 		PF02965
(Met_synt_B12) 		9 ASP A 974
ARG A1132
GLU A1135
ARG A1172
PRO A1173
ALA A1174
TYR A1177
PRO A1178
TYR A1227
 None
 0.50A 1mskA-2o2kA:
41.9		 1mskA-2o2kA:
49.57
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.
2rdx MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
PUTATIVE

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A  12
ARG A 328
ALA A 300
PRO A 104
ALA A 103
 None
 1.22A 1mskA-2rdxA:
0.0		 1mskA-2rdxA:
22.78
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 ASP A 529
ARG A 506
PRO A 376
ALA A 377
ALA A 381
 ZN  A 579 ( 4.1A)
ZN  A 579 ( 4.3A)
None
None
None
 1.20A 1mskA-3auoA:
0.0		 1mskA-3auoA:
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.
3ein GLUTATHIONE
S-TRANSFERASE 1-1

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 ASP A 101
ARG A  67
TYR A 114
PRO A 115
TYR A 113
 None
GSH  A 210 (-3.6A)
None
None
None
 1.42A 1mskA-3einA:
undetectable		 1mskA-3einA:
23.15
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.
3keb PROBABLE THIOL
PEROXIDASE

(Chromobacterium
violaceum) 		no annotation 5 ASP A 116
ARG A 120
PRO A 136
ALA A 137
ALA A  63
 None
 1.46A 1mskA-3kebA:
undetectable		 1mskA-3kebA:
22.02
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.
3m7d TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24) 		5 ARG A 308
PRO A 330
TYR A 331
PRO A 364
ALA A 367
 None
 1.48A 1mskA-3m7dA:
undetectable		 1mskA-3m7dA:
23.19
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 ASP A 697
ALA A 775
TYR A 785
PRO A 784
ALA A 783
 None
 1.46A 1mskA-3w5nA:
undetectable		 1mskA-3w5nA:
15.89
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.
3wvo CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		PF09481
(CRISPR_Cse1) 		5 GLU A 249
ARG A 232
PRO A 233
ALA A 234
ALA A  60
 None
 1.28A 1mskA-3wvoA:
0.5		 1mskA-3wvoA:
19.86
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.
4a04 T-BOX TRANSCRIPTION
FACTOR TBX1

(Homo sapiens) 		PF00907
(T-box) 		5 ASP A 121
GLU A 122
ALA A 287
PRO A 290
ALA A 292
 None
 1.41A 1mskA-4a04A:
undetectable		 1mskA-4a04A:
19.10
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.
4avc LYSINE
ACETYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00027
(cNMP_binding)
PF13302
(Acetyltransf_3) 		5 ARG A 166
ARG A 159
ALA A 140
TYR A 204
ALA A 325
 None
 1.37A 1mskA-4avcA:
undetectable		 1mskA-4avcA:
21.45
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.
4ehj PHOSPHOGLYCERATE
KINASE

(Francisella
tularensis) 		PF00162
(PGK) 		5 GLU A 388
ALA A 155
PRO A 159
ALA A 130
TYR A 157
 None
 1.47A 1mskA-4ehjA:
undetectable		 1mskA-4ehjA:
23.06
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.
4gfj TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 ARG A 308
PRO A 330
TYR A 331
PRO A 364
ALA A 367
 None
 1.47A 1mskA-4gfjA:
undetectable		 1mskA-4gfjA:
18.95
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.
4gqa NAD BINDING
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ASP A 151
ARG A 300
PRO A 138
PRO A 320
ALA A 321
 None
 1.48A 1mskA-4gqaA:
0.7		 1mskA-4gqaA:
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.
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides) 		PF13407
(Peripla_BP_4) 		5 ASP A 248
ALA A 161
TYR A 157
PRO A 158
ALA A 159
 None
 0.93A 1mskA-4irxA:
1.2		 1mskA-4irxA:
21.57
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.
4p72 PHENYLALANINE--TRNA
LIGASE BETA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 ARG A 467
PRO A 185
ALA A  12
PRO A 188
ALA A 187
 None
 1.35A 1mskA-4p72A:
undetectable		 1mskA-4p72A:
20.28
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.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 ASP E 211
ALA E 319
TYR E 325
PRO E 324
ALA E 326
 None
 1.49A 1mskA-4whbE:
undetectable		 1mskA-4whbE:
22.44
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.
4xel INORGANIC
PYROPHOSPHATASE

(Pseudomonas
aeruginosa) 		PF00719
(Pyrophosphatase) 		5 ASP A  68
PRO A  23
TYR A  52
PRO A  53
ALA A  24
 None
 1.42A 1mskA-4xelA:
undetectable		 1mskA-4xelA:
18.46
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.
4xq2 CALE6

(Micromonospora
echinospora) 		PF01053
(Cys_Met_Meta_PP) 		5 ASP A 313
ARG A 310
GLU A 309
ALA A 335
PRO A 341
 None
 1.45A 1mskA-4xq2A:
undetectable		 1mskA-4xq2A:
21.74
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.
5aoh CARF

(Serratia sp.
ATCC 39006) 		PF03781
(FGE-sulfatase) 		5 ASP A 129
PRO A 136
PRO A 110
ALA A 138
TYR A 111
 None
 1.46A 1mskA-5aohA:
undetectable		 1mskA-5aohA:
21.94
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.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 ARG A 308
PRO A 330
TYR A 331
PRO A 364
ALA A 367
 None
 1.41A 1mskA-5hm5A:
undetectable		 1mskA-5hm5A:
18.73
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.
5oy9 GLYCOPROTEIN G

(Indiana
vesiculovirus) 		no annotation 5 ASP A 334
PRO A 307
ALA A 306
PRO A 370
ALA A 315
 None
 1.44A 1mskA-5oy9A:
undetectable		 1mskA-5oy9A:
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.
5u89 AMINO ACID
ADENYLATION DOMAIN
PROTEIN

(Geobacillus sp.
Y4.1MC1) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF13193
(AMP-binding_C) 		5 PRO A 605
ALA A 606
TYR A 534
ALA A 532
TYR A 509
 None
 1.34A 1mskA-5u89A:
0.0		 1mskA-5u89A:
15.89
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.
5zwp GLUTATHIONE
S-TRANSFERASE 1

(Musca domestica) 		no annotation 5 ASP A 100
ARG A  66
TYR A 113
PRO A 114
TYR A 112
 None
GSH  A 301 (-3.4A)
FMT  A 302 (-4.4A)
None
None
 1.44A 1mskA-5zwpA:
undetectable		 1mskA-5zwpA:
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE4 FAMILY

(Thermobifida
fusca) 		no annotation 5 ARG B 352
ALA B 338
TYR B 356
PRO B 357
ALA B 358
 None
 1.35A 1mskA-6c66B:
0.3		 1mskA-6c66B:
undetectable