SIMILAR PATTERNS OF AMINO ACIDS FOR 4DAJ_A_0HKA2000_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.
1j2q PROTEASOME ALPHA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ASP A 152
SER A 135
THR A 173
ALA A  37
TYR A 160
 None
 1.45A 4dajA-1j2qA:
undetectable		 4dajA-1j2qA:
17.70
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ASP A 667
TYR A 666
TRP A 650
THR A 321
ALA A 718
 None
 1.19A 4dajA-1v7vA:
0.0		 4dajA-1v7vA:
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TYR A 300
SER A 357
THR A 366
ALA A 385
TRP A  26
 None
 1.48A 4dajA-2gqdA:
undetectable		 4dajA-2gqdA:
21.72
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) 		5 ASP A 103
TYR A 104
ALA A 191
TYR A 426
CYH A 429
 QNB  A1162 (-3.1A)
QNB  A1162 (-4.0A)
QNB  A1162 (-3.9A)
QNB  A1162 ( 4.2A)
QNB  A1162 ( 4.0A)
 1.49A 4dajA-3uonA:
39.6		 4dajA-3uonA:
73.18
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 ASP A 103
TYR A 104
SER A 107
ASN A 108
TRP A 155
THR A 187
ALA A 194
TRP A 400
TYR A 403
ASN A 404
CYH A 429
 QNB  A1162 (-3.1A)
QNB  A1162 (-4.0A)
QNB  A1162 (-3.4A)
QNB  A1162 (-4.9A)
QNB  A1162 (-4.2A)
QNB  A1162 (-4.8A)
QNB  A1162 ( 4.0A)
QNB  A1162 (-4.7A)
QNB  A1162 (-3.9A)
QNB  A1162 (-2.9A)
QNB  A1162 ( 4.0A)
 0.59A 4dajA-3uonA:
39.6		 4dajA-3uonA:
73.18
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 ASP A 103
TYR A 104
SER A 107
TRP A 155
THR A 187
ALA A 194
TRP A 400
TYR A 403
ASN A 404
TYR A 426
CYH A 429
 QNB  A1162 (-3.1A)
QNB  A1162 (-4.0A)
QNB  A1162 (-3.4A)
QNB  A1162 (-4.2A)
QNB  A1162 (-4.8A)
QNB  A1162 ( 4.0A)
QNB  A1162 (-4.7A)
QNB  A1162 (-3.9A)
QNB  A1162 (-2.9A)
QNB  A1162 ( 4.2A)
QNB  A1162 ( 4.0A)
 0.74A 4dajA-3uonA:
39.6		 4dajA-3uonA:
73.18
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 ASP A 103
TYR A 104
THR A 190
TRP A 400
ASN A 404
CYH A 429
 QNB  A1162 (-3.1A)
QNB  A1162 (-4.0A)
QNB  A1162 (-4.3A)
QNB  A1162 (-4.7A)
QNB  A1162 (-2.9A)
QNB  A1162 ( 4.0A)
 1.45A 4dajA-3uonA:
39.6		 4dajA-3uonA:
73.18
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
 1.39A 4dajA-3w1gA:
0.0		 4dajA-3w1gA:
20.77
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 TYR D 300
SER D 358
THR D 367
ALA D 386
TRP D  25
 None
 1.41A 4dajA-4jrmD:
0.0		 4dajA-4jrmD:
23.85
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 ASP A 103
TYR A 104
ASN A 108
THR A 187
ALA A 194
TRP A 400
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-4.3A)
None
IXO  A 501 (-3.5A)
IXO  A 501 (-4.6A)
 1.25A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
ASN A 108
THR A 187
ALA A 194
TYR A 426
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-4.3A)
None
IXO  A 501 (-3.5A)
2CU  A 502 ( 3.9A)
 0.90A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
ASN A 108
TRP A 155
THR A 187
TRP A 400
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-4.3A)
IXO  A 501 (-3.6A)
None
IXO  A 501 (-4.6A)
 1.28A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
ASN A 108
TRP A 155
THR A 187
TYR A 426
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-4.3A)
IXO  A 501 (-3.6A)
None
2CU  A 502 ( 3.9A)
 0.87A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
SER A 107
ALA A 194
ASN A 404
TYR A 426
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-3.5A)
IXO  A 501 (-3.0A)
2CU  A 502 ( 3.9A)
 0.91A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
SER A 107
ALA A 194
TRP A 400
ASN A 404
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-3.5A)
IXO  A 501 (-4.6A)
IXO  A 501 (-3.0A)
 1.16A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
SER A 107
ASN A 108
ALA A 194
TRP A 400
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-4.3A)
IXO  A 501 (-3.5A)
IXO  A 501 (-4.6A)
 1.12A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
SER A 107
ASN A 108
ALA A 194
TYR A 426
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-4.3A)
IXO  A 501 (-3.5A)
2CU  A 502 ( 3.9A)
 0.85A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
SER A 107
ASN A 108
TRP A 155
TRP A 400
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-4.3A)
IXO  A 501 (-3.6A)
IXO  A 501 (-4.6A)
 1.06A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
SER A 107
ASN A 108
TRP A 155
TYR A 426
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-4.3A)
IXO  A 501 (-3.6A)
2CU  A 502 ( 3.9A)
 0.74A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
SER A 107
TRP A 155
TRP A 400
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-3.6A)
IXO  A 501 (-4.6A)
IXO  A 501 (-3.5A)
 1.17A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
SER A 107
TRP A 155
TYR A 426
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-3.6A)
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 0.98A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
SER A 107
TRP A 400
TYR A 403
ASN A 404
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-4.6A)
IXO  A 501 (-3.8A)
IXO  A 501 (-3.0A)
IXO  A 501 (-3.5A)
 1.20A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
SER A 107
TYR A 403
ASN A 404
TYR A 426
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-3.8A)
IXO  A 501 (-3.0A)
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 1.06A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
THR A 187
ALA A 194
ASN A 404
TYR A 426
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
None
IXO  A 501 (-3.5A)
IXO  A 501 (-3.0A)
2CU  A 502 ( 3.9A)
 0.93A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
THR A 187
ALA A 194
TRP A 400
ASN A 404
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
None
IXO  A 501 (-3.5A)
IXO  A 501 (-4.6A)
IXO  A 501 (-3.0A)
 1.22A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
THR A 187
TRP A 400
TYR A 403
ASN A 404
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
None
IXO  A 501 (-4.6A)
IXO  A 501 (-3.8A)
IXO  A 501 (-3.0A)
IXO  A 501 (-3.5A)
 1.20A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
THR A 187
TYR A 403
ASN A 404
TYR A 426
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
None
IXO  A 501 (-3.8A)
IXO  A 501 (-3.0A)
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 1.04A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
TRP A 155
ALA A 191
TYR A 426
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.6A)
None
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 1.28A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
TRP A 155
THR A 187
TRP A 400
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.6A)
None
IXO  A 501 (-4.6A)
IXO  A 501 (-3.5A)
 1.25A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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 ASP A 103
TYR A 104
TRP A 155
THR A 187
TYR A 426
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.6A)
None
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 1.02A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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
SER A 107
ASN A 108
TRP A 155
TYR A 426
 IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
IXO  A 501 (-4.3A)
IXO  A 501 (-3.6A)
2CU  A 502 ( 3.9A)
 1.19A 4dajA-4mqtA:
32.7		 4dajA-4mqtA:
44.24
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.
4ote LIPOPROTEIN

(Clostridioides
difficile) 		PF03180
(Lipoprotein_9) 		5 SER A 138
ASN A 142
THR A 198
ALA A 111
TYR A  88
 None
None
None
ACT  A 317 ( 4.2A)
None
 1.37A 4dajA-4oteA:
undetectable		 4dajA-4oteA:
23.86
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.
4qni UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		5 ASP A 249
TYR A 247
TYR A 328
ASN A 202
TYR A 318
 None
None
None
EDO  A 403 ( 4.9A)
None
 1.37A 4dajA-4qniA:
undetectable		 4dajA-4qniA:
21.73
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.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 5 ASP A  43
TYR A 118
SER A 116
ASN A 119
TYR A  34
 None
 1.31A 4dajA-4r29A:
undetectable		 4dajA-4r29A:
16.77
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 ASP A 147
TYR A 148
ALA A 235
TYR A 529
CYH A 532
 0HK  A2000 (-3.2A)
0HK  A2000 (-2.8A)
0HK  A2000 ( 3.9A)
0HK  A2000 (-4.1A)
0HK  A2000 (-3.9A)
 1.43A 4dajA-4u14A:
48.5		 4dajA-4u14A:
95.20
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) 		12 ASP A 147
TYR A 148
SER A 151
ASN A 152
TRP A 199
THR A 231
ALA A 238
TRP A 503
TYR A 506
ASN A 507
TYR A 529
CYH A 532
 0HK  A2000 (-3.2A)
0HK  A2000 (-2.8A)
0HK  A2000 (-3.3A)
0HK  A2000 ( 4.7A)
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)
 0.46A 4dajA-4u14A:
48.5		 4dajA-4u14A:
95.20
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 ASP A 147
TYR A 148
THR A 234
TRP A 503
ASN A 507
CYH A 532
 0HK  A2000 (-3.2A)
0HK  A2000 (-2.8A)
None
0HK  A2000 (-4.3A)
0HK  A2000 (-2.9A)
0HK  A2000 (-3.9A)
 1.38A 4dajA-4u14A:
48.5		 4dajA-4u14A:
95.20
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) 		12 ASP A 147
TYR A 148
SER A 151
ASN A 152
TRP A 199
THR A 231
ALA A 238
TRP A 503
TYR A 506
ASN A 507
TYR A 529
CYH A 532
 3C0  A1202 (-3.4A)
3C0  A1202 (-3.7A)
3C0  A1202 (-2.9A)
None
3C0  A1202 (-4.4A)
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)
 0.52A 4dajA-4u16A:
35.6		 4dajA-4u16A:
86.85
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) 		6 ASP A 147
TYR A 148
THR A 234
ASN A 507
TYR A 529
CYH A 532
 3C0  A1202 (-3.4A)
3C0  A1202 (-3.7A)
None
3C0  A1202 (-2.9A)
3C0  A1202 (-3.7A)
3C0  A1202 (-3.6A)
 1.44A 4dajA-4u16A:
35.6		 4dajA-4u16A:
86.85
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 TYR A 148
SER A 151
ASN A 152
TRP A 199
TYR A 529
 3C0  A1202 (-3.7A)
3C0  A1202 (-2.9A)
None
3C0  A1202 (-4.4A)
3C0  A1202 (-3.7A)
 1.36A 4dajA-4u16A:
35.6		 4dajA-4u16A:
86.85
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.
5a9g MANGANESE SUPEROXIDE
DISMUTASE

(Sphingobacterium
spiritivorum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 SER A  51
THR A 157
ALA A  57
TYR A  74
ASN A 146
 None
 1.46A 4dajA-5a9gA:
undetectable		 4dajA-5a9gA:
20.53
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASP A 329
ASN A 416
ALA A 411
TRP A 293
TYR A 287
 None
 1.44A 4dajA-5brqA:
undetectable		 4dajA-5brqA:
23.27
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) 		11 ASP A 105
TYR A 106
SER A 109
TRP A 157
THR A 189
ALA A 196
TRP A 378
TYR A 381
ASN A 382
TYR A 404
CYH A 407
 0HK  A 501 (-3.0A)
0HK  A 501 (-3.4A)
0HK  A 501 (-3.1A)
0HK  A 501 (-4.0A)
0HK  A 501 (-4.4A)
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)
 0.58A 4dajA-5cxvA:
43.3		 4dajA-5cxvA:
74.57
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) 		7 ASP A 105
TYR A 106
THR A 192
TRP A 378
ASN A 382
TYR A 404
CYH A 407
 0HK  A 501 (-3.0A)
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)
 1.22A 4dajA-5cxvA:
43.3		 4dajA-5cxvA:
74.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dsg MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		12 ASP A 112
TYR A 113
SER A 116
ASN A 117
TRP A 164
THR A 196
ALA A 203
TRP A 413
TYR A 416
ASN A 417
TYR A 439
CYH A 442
 0HK  A1201 (-4.0A)
0HK  A1201 ( 3.2A)
0HK  A1201 (-3.3A)
OLC  A1208 ( 3.6A)
OLC  A1208 ( 4.0A)
P6G  A1205 (-4.6A)
0HK  A1201 (-3.6A)
0HK  A1201 (-4.3A)
0HK  A1201 (-4.2A)
0HK  A1201 (-2.8A)
0HK  A1201 (-3.6A)
0HK  A1201 (-3.6A)
 0.62A 4dajA-5dsgA:
42.2		 4dajA-5dsgA:
66.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dsg MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 ASP A 112
TYR A 113
THR A 199
TRP A 413
ASN A 417
CYH A 442
 0HK  A1201 (-4.0A)
0HK  A1201 ( 3.2A)
OLC  A1208 (-4.4A)
0HK  A1201 (-4.3A)
0HK  A1201 (-2.8A)
0HK  A1201 (-3.6A)
 1.41A 4dajA-5dsgA:
42.2		 4dajA-5dsgA:
66.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dsg MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 TYR A 113
THR A 199
TRP A 413
TYR A 416
CYH A 442
 0HK  A1201 ( 3.2A)
OLC  A1208 (-4.4A)
0HK  A1201 (-4.3A)
0HK  A1201 (-4.2A)
0HK  A1201 (-3.6A)
 1.46A 4dajA-5dsgA:
42.2		 4dajA-5dsgA:
66.12
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.
5e25 BRANCHED-CHAIN
AMINOTRANSFERASE

(Geoglobus
acetivorans) 		PF01063
(Aminotran_4) 		5 ASP A 189
SER A 187
ASN A 159
ASN A 167
TYR A 124
 None
None
PLP  A 301 (-4.5A)
None
None
 1.46A 4dajA-5e25A:
undetectable		 4dajA-5e25A:
20.96
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II) 		5 ASP A 123
THR A  78
ALA A 165
TYR A  92
CYH A 127
 None
 1.42A 4dajA-5exeA:
undetectable		 4dajA-5exeA:
21.65
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		5 ASP A 614
TYR A 617
ASN A 616
ALA A 592
TYR A 667
 None
 1.29A 4dajA-5mqmA:
undetectable		 4dajA-5mqmA:
17.48