SIMILAR PATTERNS OF AMINO ACIDS FOR 5WGG_A_SAMA504_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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 THR A 662
ASN A 217
ARG A 545
VAL A 645
VAL A 655
 None
 1.39A 5wggA-1g8kA:
0.0		 5wggA-1g8kA:
19.69
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.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 PRO A 264
THR A 267
THR A 276
VAL A 279
VAL A 185
 None
 1.46A 5wggA-1hlgA:
0.0		 5wggA-1hlgA:
21.46
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.
1lbz FRUCTOSE
1,6-BISPHOSPHATASE/I
NOSITOL
MONOPHOSPHATASE

(Archaeoglobus
fulgidus) 		PF00459
(Inositol_P) 		5 TYR A 199
THR A  42
ARG A 197
VAL A  65
VAL A  64
 None
 1.49A 5wggA-1lbzA:
undetectable		 5wggA-1lbzA:
21.46
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A

(Staphylococcus
aureus) 		PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14) 		5 TYR A  30
CYH A  31
PRO A  77
THR A 102
ASN A 104
 SAM  A1501 ( 4.5A)
SF4  A1401 (-2.3A)
None
SAM  A1501 (-4.3A)
SF4  A1401 ( 4.4A)
 0.39A 5wggA-1tv8A:
17.1		 5wggA-1tv8A:
22.77
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.
1w66 LIPOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF03099
(BPL_LplA_LipB) 		5 TYR A  22
ARG A  76
THR A  74
VAL A  72
VAL A  71
 None
DKA  A 301 (-3.7A)
None
None
None
 1.47A 5wggA-1w66A:
undetectable		 5wggA-1w66A:
19.46
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 TYR A 385
PHE A 424
ASN A 429
VAL A 342
VAL A 341
 None
 1.22A 5wggA-2dkdA:
1.6		 5wggA-2dkdA:
24.27
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 PHE A 145
ASN A 116
THR A  56
VAL A   3
VAL A 131
 None
 1.42A 5wggA-2f02A:
1.2		 5wggA-2f02A:
20.93
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.
3at6 ALPHAA-GLOBIN
BETA-GLOBIN

(Podocnemis
unifilis;
Podocnemis
unifilis) 		PF00042
(Globin)
PF00042
(Globin) 		5 THR A  39
THR A  28
VAL A 108
VAL A 107
GLN B 127
 HEM  A 142 ( 4.8A)
None
None
None
None
 1.42A 5wggA-3at6A:
undetectable		 5wggA-3at6A:
15.61
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.
3i3o SHORT CHAIN
DEHYDROGENASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 TYR A 262
PRO A  29
THR A 228
THR A 178
VAL A 127
 None
None
NAE  A 311 (-2.9A)
NAE  A 311 (-3.9A)
None
 1.38A 5wggA-3i3oA:
1.5		 5wggA-3i3oA:
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.
3q54 OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Escherichia
coli) 		PF13360
(PQQ_2) 		5 PHE A 289
PRO A 330
ARG A 154
THR A 201
VAL A 209
 None
 1.50A 5wggA-3q54A:
undetectable		 5wggA-3q54A:
21.87
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.
3wpw POMB

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		5 THR A 278
ASN A 293
ARG A 295
VAL A 227
VAL A 272
 None
 1.49A 5wggA-3wpwA:
undetectable		 5wggA-3wpwA:
16.40
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.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1
DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF16413
(Mlh1_C)
PF08676
(MutL_C) 		5 PHE A 720
THR A 707
THR B 688
VAL A 542
VAL A 541
 None
 0.99A 5wggA-4e4wA:
1.1		 5wggA-4e4wA:
22.84
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.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 TYR A  21
CYH A  22
PRO A  68
ASN A 100
ARG A 134
 SAM  A 504 (-4.6A)
SF4  A 503 ( 2.2A)
None
SF4  A 503 ( 4.2A)
SAM  A 504 ( 3.5A)
 0.20A 5wggA-4k37A:
31.1		 5wggA-4k37A:
23.12
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.
5b22 NECTIN-3

(Mus musculus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 PHE A 162
PRO A 163
THR A 113
VAL A 114
VAL A 136
 NAG  A 302 (-4.2A)
None
None
None
None
 1.43A 5wggA-5b22A:
undetectable		 5wggA-5b22A:
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.
5j60 THIOREDOXIN
REDUCTASE

(Gloeobacter
violaceus) 		PF07992
(Pyr_redox_2) 		5 PHE A 247
THR A 112
THR A 268
VAL A 270
GLN A 251
 FAD  A 401 ( 4.3A)
FAD  A 401 (-4.0A)
None
None
None
 1.37A 5wggA-5j60A:
1.6		 5wggA-5j60A:
22.06
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.
5jrp MARBERG VIRUS
MONOCLONAL ANTIBODY
MR78 FAB HEAVY CHAIN

(Homo sapiens) 		no annotation 5 CYH H 226
ASN H 229
THR H 195
VAL H 211
VAL H 212
 None
 1.49A 5wggA-5jrpH:
undetectable		 5wggA-5jrpH:
18.64
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.
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 TYR A 289
PRO A  54
THR A 254
THR A 204
VAL A 153
 None
None
NAD  A 901 (-2.9A)
NAD  A 901 (-4.0A)
None
 1.37A 5wggA-5jydA:
0.0		 5wggA-5jydA:
20.35
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.
5m9o STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		5 TYR A 878
PHE A 696
ASN A 829
VAL A 856
VAL A 861
 None
 1.37A 5wggA-5m9oA:
undetectable		 5wggA-5m9oA:
19.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wgg RADICAL SAM DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		12 TYR A 110
CYH A 111
PHE A 152
PRO A 156
THR A 186
ASN A 188
ARG A 222
ARG A 253
THR A 255
VAL A 283
VAL A 284
GLN A 364
 SAM  A 504 (-4.8A)
SF4  A 502 ( 2.4A)
SAM  A 504 (-4.1A)
None
SAM  A 504 (-4.2A)
SF4  A 502 ( 4.3A)
SF4  A 502 ( 3.6A)
SAM  A 504 (-3.2A)
SAM  A 504 (-3.4A)
SAM  A 504 (-4.0A)
SAM  A 504 (-3.6A)
SAM  A 504 ( 4.1A)
 0.00A 5wggA-5wggA:
63.7		 5wggA-5wggA:
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.
5wi5 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 PRO A  47
ARG A 375
ARG A 236
VAL A 167
GLN A 171
 None
None
None
EPU  A 503 (-3.8A)
EPU  A 503 ( 4.8A)
 1.39A 5wggA-5wi5A:
0.2		 5wggA-5wi5A:
24.17