SIMILAR PATTERNS OF AMINO ACIDS FOR 5DSG_B_0HKB1201_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.
1axk GLUXYN-1

(Bacillus
subtilis) 		PF00457
(Glyco_hydro_11)
PF00722
(Glyco_hydro_16) 		5 LEU A 232
THR A 279
ALA A 271
TRP A 165
TYR A 322
 None
 1.49A 5dsgB-1axkA:
undetectable		 5dsgB-1axkA:
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.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 SER A 268
LEU A 161
THR A 313
ALA A 275
TYR A 210
 None
 1.50A 5dsgB-1e5fA:
0.0		 5dsgB-1e5fA:
23.28
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 TYR A 359
TRP A 356
LEU A 550
TYR A 374
ASN A 400
 None
 1.47A 5dsgB-1poxA:
undetectable		 5dsgB-1poxA:
20.71
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.
1r9l GLYCINE
BETAINE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF04069
(OpuAC) 		5 LEU A 213
THR A 221
TRP A 205
TYR A  96
TYR A 186
 None
 1.41A 5dsgB-1r9lA:
undetectable		 5dsgB-1r9lA:
20.43
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 TYR A  86
LEU A 167
THR A 160
ALA A 124
ASN A  98
 None
 1.30A 5dsgB-1xp4A:
undetectable		 5dsgB-1xp4A:
22.91
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.
2cw3 IRON SUPEROXIDE
DISMUTASE

(Perkinsus
marinus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 TYR A  84
SER A  87
TRP A  85
THR A  27
TYR A 186
 None
 1.48A 5dsgB-2cw3A:
undetectable		 5dsgB-2cw3A:
22.07
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.
2wfg CYTOSOLIC
LEUCYL-TRNA
SYNTHETASE

(Candida
albicans) 		PF00133
(tRNA-synt_1) 		5 THR A 349
THR A 350
TYR A 526
ASN A 356
TYR A 280
 None
 1.37A 5dsgB-2wfgA:
undetectable		 5dsgB-2wfgA:
20.09
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.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		5 SER A 286
TRP A 291
LEU A 364
TYR A 280
ASN A 255
 None
None
SAH  A 900 (-4.9A)
None
None
 1.35A 5dsgB-2zfuA:
undetectable		 5dsgB-2zfuA:
18.84
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.
3fcp L-ALA-D/L-GLU
EPIMERASE, A
MUCONATE LACTONIZING
ENZYME

(Klebsiella
pneumoniae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 126
LEU A 343
THR A 307
THR A 310
ALA A 312
 None
 1.36A 5dsgB-3fcpA:
undetectable		 5dsgB-3fcpA:
23.30
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.
3hfw PROTEIN
ADP-RIBOSYLARGININE
HYDROLASE

(Homo sapiens) 		PF03747
(ADP_ribosyl_GH) 		5 TYR A  80
SER A 158
TRP A 118
LEU A 357
TYR A 205
 None
 1.42A 5dsgB-3hfwA:
0.0		 5dsgB-3hfwA:
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.
3pl5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF02645
(DegV) 		5 SER A  91
LEU A  28
THR A  10
ALA A 124
TYR A  86
 None
PLM  A 702 (-4.9A)
None
PLM  A 702 (-3.6A)
None
 1.48A 5dsgB-3pl5A:
undetectable		 5dsgB-3pl5A:
21.78
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.
3rot ABC SUGAR
TRANSPORTER,
PERIPLASMIC SUGAR
BINDING PROTEIN

(Legionella
pneumophila) 		PF13407
(Peripla_BP_4) 		5 TYR A  36
SER A  39
TRP A  37
THR A 113
THR A  87
 GOL  A 317 (-3.9A)
None
None
GOL  A 317 ( 4.8A)
None
 1.31A 5dsgB-3rotA:
undetectable		 5dsgB-3rotA:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rze HISTAMINE H1
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 TYR A 108
SER A 111
TRP A 158
THR A 194
TRP A 428
 D7V  A1201 ( 3.7A)
5EH  A1200 ( 3.7A)
5EH  A1200 ( 4.4A)
D7V  A1201 ( 4.6A)
5EH  A1200 ( 3.4A)
 1.21A 5dsgB-3rzeA:
36.5		 5dsgB-3rzeA:
48.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 TYR A 104
SER A 107
THR A 187
TRP A 400
ASN A 404
CYH A 429
 QNB  A1162 (-4.0A)
QNB  A1162 (-3.4A)
QNB  A1162 (-4.8A)
QNB  A1162 (-4.7A)
QNB  A1162 (-2.9A)
QNB  A1162 ( 4.0A)
 1.48A 5dsgB-3uonA:
38.3		 5dsgB-3uonA:
76.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		11 TYR A 104
SER A 107
TRP A 155
THR A 187
THR A 190
ALA A 194
TRP A 400
TYR A 403
ASN A 404
TYR A 426
CYH A 429
 QNB  A1162 (-4.0A)
QNB  A1162 (-3.4A)
QNB  A1162 (-4.2A)
QNB  A1162 (-4.8A)
QNB  A1162 (-4.3A)
QNB  A1162 ( 4.0A)
QNB  A1162 (-4.7A)
QNB  A1162 (-3.9A)
QNB  A1162 (-2.9A)
QNB  A1162 ( 4.2A)
QNB  A1162 ( 4.0A)
 0.73A 5dsgB-3uonA:
38.3		 5dsgB-3uonA:
76.23
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.
3vrd FLAVOCYTOCHROME C
FLAVIN SUBUNIT

(Thermochromatium
tepidum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		5 LEU B  58
THR B 134
ALA B 127
ASN B  46
CYH B 161
 None
None
None
FAD  B 501 ( 3.6A)
FAD  B 501 (-3.3A)
 1.45A 5dsgB-3vrdB:
undetectable		 5dsgB-3vrdB:
22.54
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.
3vss BETA-FRUCTOFURANOSID
ASE

(Microbacterium
saccharophilum) 		PF02435
(Glyco_hydro_68) 		5 TYR A 407
SER A 425
TRP A  64
THR A 395
THR A 370
 None
 1.29A 5dsgB-3vssA:
undetectable		 5dsgB-3vssA:
19.33
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.
3w1g DNA LIGASE 4

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 SER A  63
TRP A  46
THR A 144
ALA A  67
ASN A 149
 None
 1.42A 5dsgB-3w1gA:
undetectable		 5dsgB-3w1gA:
18.67
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.
3wkh CELLOBIOSE
2-EPIMERASE

(Rhodothermus
marinus) 		PF07221
(GlcNAc_2-epim) 		5 TYR A 205
SER A 127
LEU A 217
ALA A 149
TYR A 168
 None
 1.30A 5dsgB-3wkhA:
undetectable		 5dsgB-3wkhA:
21.98
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.
3zuy TRANSPORTER

(Neisseria
meningitidis) 		PF01758
(SBF) 		5 SER A 135
LEU A 257
THR A 256
ALA A 130
ASN A 115
 None
None
None
None
NA  A1310 (-3.3A)
 1.40A 5dsgB-3zuyA:
undetectable		 5dsgB-3zuyA:
24.57
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.
4e8b RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Escherichia
coli) 		PF04452
(Methyltrans_RNA) 		5 SER A 178
LEU A 222
THR A 227
THR A 230
ALA A 234
 None
 1.13A 5dsgB-4e8bA:
undetectable		 5dsgB-4e8bA:
21.28
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.
4htp DNA LIGASE 4

(Homo sapiens) 		PF04675
(DNA_ligase_A_N) 		5 SER A  63
TRP A  46
THR A 144
ALA A  67
ASN A 149
 None
 1.45A 5dsgB-4htpA:
undetectable		 5dsgB-4htpA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		7 TYR A 104
SER A 107
THR A 187
THR A 190
ALA A 194
ASN A 404
CYH A 429
 IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
None
IXO  A 501 (-3.5A)
IXO  A 501 (-3.0A)
IXO  A 501 (-3.5A)
 0.77A 5dsgB-4mqtA:
33.7		 5dsgB-4mqtA:
60.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		7 TYR A 104
SER A 107
THR A 187
THR A 190
ALA A 194
TRP A 400
ASN A 404
 IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
None
IXO  A 501 (-3.5A)
IXO  A 501 (-4.6A)
IXO  A 501 (-3.0A)
 1.00A 5dsgB-4mqtA:
33.7		 5dsgB-4mqtA:
60.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		7 TYR A 104
SER A 107
THR A 187
THR A 190
TRP A 400
TYR A 403
ASN A 404
 IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
None
IXO  A 501 (-4.6A)
IXO  A 501 (-3.8A)
IXO  A 501 (-3.0A)
 1.11A 5dsgB-4mqtA:
33.7		 5dsgB-4mqtA:
60.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		7 TYR A 104
SER A 107
THR A 187
THR A 190
TYR A 403
ASN A 404
CYH A 429
 IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
None
IXO  A 501 (-3.8A)
IXO  A 501 (-3.0A)
IXO  A 501 (-3.5A)
 0.91A 5dsgB-4mqtA:
33.7		 5dsgB-4mqtA:
60.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		7 TYR A 104
SER A 107
THR A 190
ALA A 194
ASN A 404
TYR A 426
CYH A 429
 IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
IXO  A 501 (-3.5A)
IXO  A 501 (-3.0A)
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 0.70A 5dsgB-4mqtA:
33.7		 5dsgB-4mqtA:
60.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		7 TYR A 104
SER A 107
THR A 190
TYR A 403
ASN A 404
TYR A 426
CYH A 429
 IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
IXO  A 501 (-3.8A)
IXO  A 501 (-3.0A)
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 0.87A 5dsgB-4mqtA:
33.7		 5dsgB-4mqtA:
60.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		6 TYR A 104
SER A 107
TRP A 155
ALA A 194
TYR A 426
CYH A 429
 IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-3.6A)
IXO  A 501 (-3.5A)
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 0.74A 5dsgB-4mqtA:
33.7		 5dsgB-4mqtA:
60.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		6 TYR A 104
SER A 107
TRP A 155
THR A 187
ALA A 194
CYH A 429
 IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-3.6A)
None
IXO  A 501 (-3.5A)
IXO  A 501 (-3.5A)
 0.93A 5dsgB-4mqtA:
33.7		 5dsgB-4mqtA:
60.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		6 TYR A 104
SER A 107
TRP A 155
THR A 187
ALA A 194
TRP A 400
 IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-3.6A)
None
IXO  A 501 (-3.5A)
IXO  A 501 (-4.6A)
 1.15A 5dsgB-4mqtA:
33.7		 5dsgB-4mqtA:
60.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		5 TYR A 104
THR A 187
ALA A 191
TYR A 426
CYH A 429
 IXO  A 501 (-3.7A)
None
None
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 1.28A 5dsgB-4mqtA:
33.7		 5dsgB-4mqtA:
60.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		5 TYR A 104
TRP A 155
ALA A 191
TYR A 426
CYH A 429
 IXO  A 501 (-3.7A)
IXO  A 501 (-3.6A)
None
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 1.44A 5dsgB-4mqtA:
33.7		 5dsgB-4mqtA:
60.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 LEU A 144
TRP A 503
TYR A 529
TYR A 533
CYH A 532
 None
0HK  A2000 (-4.3A)
0HK  A2000 (-4.1A)
None
0HK  A2000 (-3.9A)
 1.46A 5dsgB-4u14A:
37.8		 5dsgB-4u14A:
67.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		10 TYR A 148
SER A 151
LEU A 225
THR A 231
ALA A 238
TRP A 503
TYR A 506
ASN A 507
TYR A 529
CYH A 532
 0HK  A2000 (-2.8A)
0HK  A2000 (-3.3A)
0HK  A2000 (-4.5A)
0HK  A2000 (-4.3A)
0HK  A2000 ( 3.8A)
0HK  A2000 (-4.3A)
0HK  A2000 (-4.1A)
0HK  A2000 (-2.9A)
0HK  A2000 (-4.1A)
0HK  A2000 (-3.9A)
 0.59A 5dsgB-4u14A:
37.8		 5dsgB-4u14A:
67.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 TYR A 148
THR A 231
ALA A 235
TYR A 529
CYH A 532
 0HK  A2000 (-2.8A)
0HK  A2000 (-4.3A)
0HK  A2000 ( 3.9A)
0HK  A2000 (-4.1A)
0HK  A2000 (-3.9A)
 1.31A 5dsgB-4u14A:
37.8		 5dsgB-4u14A:
67.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 TYR A 148
THR A 231
TRP A 503
ASN A 507
TYR A 529
CYH A 532
 0HK  A2000 (-2.8A)
0HK  A2000 (-4.3A)
0HK  A2000 (-4.3A)
0HK  A2000 (-2.9A)
0HK  A2000 (-4.1A)
0HK  A2000 (-3.9A)
 1.49A 5dsgB-4u14A:
37.8		 5dsgB-4u14A:
67.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		11 TYR A 148
TRP A 199
LEU A 225
THR A 231
THR A 234
ALA A 238
TRP A 503
TYR A 506
ASN A 507
TYR A 529
CYH A 532
 0HK  A2000 (-2.8A)
0HK  A2000 (-4.5A)
0HK  A2000 (-4.5A)
0HK  A2000 (-4.3A)
None
0HK  A2000 ( 3.8A)
0HK  A2000 (-4.3A)
0HK  A2000 (-4.1A)
0HK  A2000 (-2.9A)
0HK  A2000 (-4.1A)
0HK  A2000 (-3.9A)
 0.44A 5dsgB-4u14A:
37.8		 5dsgB-4u14A:
67.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u16 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 LEU A 144
TRP A 503
TYR A 529
TYR A 533
CYH A 532
 None
3C0  A1202 ( 4.0A)
3C0  A1202 (-3.7A)
3C0  A1202 (-4.5A)
3C0  A1202 (-3.6A)
 1.46A 5dsgB-4u16A:
42.6		 5dsgB-4u16A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u16 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		11 TYR A 148
SER A 151
TRP A 199
LEU A 225
THR A 231
ALA A 238
TRP A 503
TYR A 506
ASN A 507
TYR A 529
CYH A 532
 3C0  A1202 (-3.7A)
3C0  A1202 (-2.9A)
3C0  A1202 (-4.4A)
None
None
3C0  A1202 (-3.5A)
3C0  A1202 ( 4.0A)
3C0  A1202 (-3.7A)
3C0  A1202 (-2.9A)
3C0  A1202 (-3.7A)
3C0  A1202 (-3.6A)
 0.68A 5dsgB-4u16A:
42.6		 5dsgB-4u16A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u16 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		11 TYR A 148
TRP A 199
LEU A 225
THR A 231
THR A 234
ALA A 238
TRP A 503
TYR A 506
ASN A 507
TYR A 529
CYH A 532
 3C0  A1202 (-3.7A)
3C0  A1202 (-4.4A)
None
None
None
3C0  A1202 (-3.5A)
3C0  A1202 ( 4.0A)
3C0  A1202 (-3.7A)
3C0  A1202 (-2.9A)
3C0  A1202 (-3.7A)
3C0  A1202 (-3.6A)
 0.54A 5dsgB-4u16A:
42.6		 5dsgB-4u16A:
75.41
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.
5aff SYMPORTIN 1

(Chaetomium
thermophilum) 		no annotation 5 LEU A 555
THR A 500
THR A 503
ALA A 506
ASN A 450
 None
 1.23A 5dsgB-5affA:
undetectable		 5dsgB-5affA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cxv MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		12 TYR A 106
SER A 109
TRP A 157
LEU A 183
THR A 189
THR A 192
ALA A 196
TRP A 378
TYR A 381
ASN A 382
TYR A 404
CYH A 407
 0HK  A 501 (-3.4A)
0HK  A 501 (-3.1A)
0HK  A 501 (-4.0A)
None
0HK  A 501 (-4.4A)
0HK  A 501 (-4.0A)
0HK  A 501 (-3.6A)
0HK  A 501 (-4.4A)
0HK  A 501 (-4.1A)
0HK  A 501 (-2.8A)
0HK  A 501 (-3.6A)
0HK  A 501 (-3.7A)
 0.38A 5dsgB-5cxvA:
40.4		 5dsgB-5cxvA:
61.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cxv MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 TYR A 106
THR A 192
TRP A 378
ASN A 382
TYR A 404
CYH A 407
 0HK  A 501 (-3.4A)
0HK  A 501 (-4.0A)
0HK  A 501 (-4.4A)
0HK  A 501 (-2.8A)
0HK  A 501 (-3.6A)
0HK  A 501 (-3.7A)
 1.28A 5dsgB-5cxvA:
40.4		 5dsgB-5cxvA:
61.24
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.
5fol LEUCYL-TRNA
SYNTHETASE

(Cryptosporidium
muris) 		no annotation 5 SER A 529
THR A 287
THR A 259
ALA A 536
TYR A 294
 None
SO8  A1544 (-3.7A)
None
None
None
 1.42A 5dsgB-5folA:
undetectable		 5dsgB-5folA:
20.70
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.
5h35 MEMBRANE PROTEIN
TRIC

(Sulfolobus
solfataricus) 		PF03458
(UPF0126) 		5 SER C 114
LEU C   8
THR C 103
THR C 106
ALA C 109
 None
 1.18A 5dsgB-5h35C:
3.0		 5dsgB-5h35C:
19.57
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.
5us5 UPF0297 PROTEIN
EF_1202

(Enterococcus
faecalis) 		PF06135
(DUF965) 		5 LEU A  63
THR A  23
THR A  26
ALA A  30
TYR A  45
 None
 1.39A 5dsgB-5us5A:
undetectable		 5dsgB-5us5A:
11.46
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.
5wva SHORT-CHAIN
DEHYDROGENASE

(Serratia
marcescens) 		no annotation 5 TYR A 158
SER A 161
THR A 145
ALA A 147
ASN A 185
 None
 1.39A 5dsgB-5wvaA:
undetectable		 5dsgB-5wvaA:
11.96
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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 5 SER A  27
TRP A 341
THR A 306
ALA A 337
TYR A 403
 None
 1.43A 5dsgB-6bldA:
1.3		 5dsgB-6bldA:
12.79
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.
6fea NITROGENASE PROTEIN
ALPHA CHAIN

(Azotobacter
vinelandii) 		no annotation 5 TRP A 187
LEU A  62
THR A  65
TYR A 135
CYH A 168
 None
 1.37A 5dsgB-6feaA:
undetectable		 5dsgB-6feaA:
12.97