SIMILAR PATTERNS OF AMINO ACIDS FOR 4DMG_A_SAMA401

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wxx HYPOTHETICAL PROTEIN
TTHA1280

(Thermus
thermophilus) 		PF10672
(Methyltrans_SAM) 		5 ARG A 202
ASP A 238
ALA A 266
ASP A 286
PRO A 288
 None
 0.41A 4dmgA-1wxxA:
41.8		 4dmgA-1wxxA:
39.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wxx HYPOTHETICAL PROTEIN
TTHA1280

(Thermus
thermophilus) 		PF10672
(Methyltrans_SAM) 		5 TYR A 195
ARG A 202
ASP A 238
ALA A 266
ASP A 286
 None
 0.95A 4dmgA-1wxxA:
41.8		 4dmgA-1wxxA:
39.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2as0 HYPOTHETICAL PROTEIN
PH1915

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF10672
(Methyltrans_SAM) 		6 ARG A 208
TYR A 227
ASP A 247
ALA A 276
ASP A 296
PRO A 298
 None
 0.51A 4dmgA-2as0A:
45.8		 4dmgA-2as0A:
33.66
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.
2fhp METHYLASE, PUTATIVE

(Enterococcus
faecalis) 		PF03602
(Cons_hypoth95) 		5 TYR A  49
LYS A  72
ALA A 100
ASP A 120
PRO A 122
 None
 0.70A 4dmgA-2fhpA:
16.3		 4dmgA-2fhpA:
18.72
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.
2hor ALLIIN LYASE 1

(Allium sativum) 		PF04863
(EGF_alliinase)
PF04864
(Alliinase_C) 		5 TYR A 229
TYR A 228
ASP A 225
GLU A 242
ALA A 240
 None
None
ACT  A 602 (-2.7A)
None
None
 1.27A 4dmgA-2horA:
1.7		 4dmgA-2horA:
20.61
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.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		5 GLN A 213
ASP A 235
ASP A 211
GLU A 225
ASP A 240
 None
 1.26A 4dmgA-2xfsA:
undetectable		 4dmgA-2xfsA:
24.95
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		5 ASP A 291
ASP A 293
ALA A 319
ASP A 337
PRO A 339
 SFG  A5748 (-2.9A)
None
SFG  A5748 (-3.4A)
SFG  A5748 (-3.6A)
SFG  A5748 (-4.0A)
 0.65A 4dmgA-2yxlA:
14.4		 4dmgA-2yxlA:
25.54
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  33
ASP A 108
ASP A 110
ALA A 141
ASP A 158
 MTA  A 315 (-3.7A)
MTA  A 315 (-3.3A)
None
MTA  A 315 (-3.5A)
MTA  A 315 (-4.9A)
 1.06A 4dmgA-3anxA:
11.1		 4dmgA-3anxA:
21.55
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.
3f1b TETR-LIKE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		5 ARG A 112
ASP A  19
GLU A  43
ALA A  40
ASP A  27
 None
 1.44A 4dmgA-3f1bA:
undetectable		 4dmgA-3f1bA:
20.81
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.
3f3b PHAGE-LIKE ELEMENT
PBSX PROTEIN XKDH

(Bacillus
subtilis) 		PF12206
(DUF3599) 		5 TYR A  95
TYR A  14
ASP A  12
GLU A  91
ASP A 115
 None
None
None
PO4  A 127 (-3.8A)
PO4  A 128 ( 4.9A)
 1.49A 4dmgA-3f3bA:
undetectable		 4dmgA-3f3bA:
14.50
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.
3ldf PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.776

(Streptococcus
mutans) 		PF10672
(Methyltrans_SAM) 		5 ARG A 203
TYR A 222
ASP A 242
ASP A 292
PRO A 294
 None
SAH  A 401 (-4.8A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.5A)
SAH  A 401 ( 4.0A)
 0.77A 4dmgA-3ldfA:
36.4		 4dmgA-3ldfA:
24.76
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.
3obk DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Toxoplasma
gondii) 		PF00490
(ALAD) 		5 ARG A 189
GLU A 107
ALA A 105
ASP A 146
PRO A 139
 MG  A 365 ( 4.7A)
None
None
PBG  A 360 (-3.4A)
None
 1.49A 4dmgA-3obkA:
undetectable		 4dmgA-3obkA:
23.36
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.
3oyn PFV INTEGRASE

(Simian foamy
virus) 		PF00665
(rve) 		5 GLN A 215
TYR A 212
ASP A 367
GLU A 325
ALA A 328
 ZZX  A 398 (-3.9A)
ZZX  A 398 ( 4.0A)
None
None
None
 1.27A 4dmgA-3oynA:
undetectable		 4dmgA-3oynA:
21.80
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.
3tqo CYSTEINYL-TRNA
SYNTHETASE

(Coxiella
burnetii) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 TYR A 134
ASP A 131
GLU A 248
ALA A 245
ASP A 146
 None
 1.19A 4dmgA-3tqoA:
undetectable		 4dmgA-3tqoA:
20.75
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 ARG A 530
TYR A 548
ASP A 568
ASP A 615
PRO A 617
 None
SAM  A 802 (-4.7A)
SAM  A 802 (-2.9A)
None
SAM  A 802 ( 4.6A)
 0.58A 4dmgA-3v8vA:
24.2		 4dmgA-3v8vA:
21.43
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.
3vse PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10672
(Methyltrans_SAM) 		5 ARG A 205
TYR A 224
ASP A 243
ASP A 293
PRO A 295
 None
SAH  A 401 (-4.8A)
SAH  A 401 (-2.7A)
SAH  A 401 (-3.2A)
SAH  A 401 ( 4.2A)
 0.61A 4dmgA-3vseA:
39.6		 4dmgA-3vseA:
27.59
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.
3w8j PROTEIN
DISULFIDE-ISOMERASE
A6

(Homo sapiens) 		PF00085
(Thioredoxin) 		5 ARG A  60
TYR A  51
GLU A  29
ALA A  80
PRO A  53
 None
 1.46A 4dmgA-3w8jA:
undetectable		 4dmgA-3w8jA:
15.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dmg PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1493

(Thermus
thermophilus) 		PF02475
(Met_10) 		12 GLN A 193
TYR A 198
ARG A 205
TYR A 222
TYR A 224
ASP A 243
LYS A 244
ASP A 245
GLU A 269
ALA A 270
ASP A 287
PRO A 289
 SAM  A 401 (-3.3A)
SAM  A 401 (-3.7A)
SAM  A 401 (-4.1A)
SAM  A 401 (-4.5A)
SAM  A 401 (-4.5A)
SAM  A 401 (-2.9A)
SAM  A 401 (-4.2A)
SAM  A 401 (-4.9A)
SAM  A 401 (-4.8A)
SAM  A 401 (-3.7A)
SAM  A 401 (-3.7A)
SAM  A 401 (-4.3A)
 0.00A 4dmgA-4dmgA:
65.5		 4dmgA-4dmgA:
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLN A3313
ASP A3157
GLU A3156
ALA A3637
ASP A3074
 None
 1.41A 4dmgA-4kc5A:
undetectable		 4dmgA-4kc5A:
18.51
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.
4pue ENDO-1,4-BETA-XYLANA
SE

(Geobacillus
stearothermophilus) 		PF00331
(Glyco_hydro_10) 		5 TYR A 199
TYR A 153
ASP A  91
ALA A  33
ASP A 155
 None
 1.45A 4dmgA-4pueA:
undetectable		 4dmgA-4pueA:
20.14
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.
4q5n GLUTHATIONE
S-TRANSFERASE BLO T
8 ISOFORM

(Blomia
tropicalis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ARG A 180
TYR A 175
ASP A 169
GLU A 105
PRO A  17
 None
 1.40A 4dmgA-4q5nA:
undetectable		 4dmgA-4q5nA:
21.80
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.
5bp8 ENT-COPALYL
DIPHOSPHATE SYNTHASE

(Streptomyces
platensis) 		PF00432
(Prenyltrans)
PF13243
(SQHop_cyclase_C) 		5 ARG A 350
ASP A 502
ALA A 405
ASP A 128
PRO A 127
 SO4  A 701 (-3.8A)
None
None
None
None
 1.43A 4dmgA-5bp8A:
undetectable		 4dmgA-5bp8A:
22.66
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.
5d79 BERBERINE BRIDGE
ENZYME-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 TYR A 461
TYR A 455
GLU A 383
ALA A 380
PRO A 460
 None
 1.48A 4dmgA-5d79A:
undetectable		 4dmgA-5d79A:
21.55
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.
5do8 LMO0184 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 GLN B  59
TYR B  76
TYR B  55
TYR B  73
PRO B  53
 None
 0.74A 4dmgA-5do8B:
undetectable		 4dmgA-5do8B:
19.12
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.
5jc8 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 ASP A 236
ASP A 233
ALA A 240
ASP A 260
PRO A 194
 None
 1.43A 4dmgA-5jc8A:
8.2		 4dmgA-5jc8A:
24.10