SIMILAR PATTERNS OF AMINO ACIDS FOR 4U14_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.
1a6c TOBACCO RINGSPOT
VIRUS CAPSID PROTEIN

(Tobacco
ringspot virus) 		PF03391
(Nepo_coat)
PF03688
(Nepo_coat_C)
PF03689
(Nepo_coat_N) 		5 ILE A 170
THR A 470
ALA A 135
ASN A 133
CYH A 129
 None
 1.38A 4u14A-1a6cA:
undetectable		 4u14A-1a6cA:
22.63
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.
1by7 PROTEIN (PLASMINOGEN
ACTIVATOR
INHIBITOR-2)

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE A 114
THR A 177
ALA A 201
ALA A 358
ASN A 200
 None
 1.48A 4u14A-1by7A:
undetectable		 4u14A-1by7A:
21.24
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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		5 ILE A 288
SER A 211
THR A 416
ALA A 233
TYR A 270
 None
PO4  A 800 (-4.6A)
None
None
None
 1.12A 4u14A-1cu1A:
0.0		 4u14A-1cu1A:
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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 ILE C 413
ASP C 142
ALA A  63
ALA A  61
ASN A  66
 None
 1.25A 4u14A-1d7wC:
undetectable		 4u14A-1d7wC:
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A  89
SER A  85
THR A 163
ALA A 146
ASN A 160
 None
 1.08A 4u14A-1e5mA:
undetectable		 4u14A-1e5mA:
22.63
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.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		PF08992
(QH-AmDH_gamma)
PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		5 ASP A  93
SER A  97
THR A  88
ALA G   5
ALA G   3
 None
 1.46A 4u14A-1jmzA:
undetectable		 4u14A-1jmzA:
19.81
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 ASP A 279
THR A 242
ALA A 246
ALA A 248
TYR A 264
 None
 1.48A 4u14A-1sgvA:
undetectable		 4u14A-1sgvA:
21.72
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		5 THR A 229
ALA A 225
ALA A 224
TRP A  98
CYH A  57
 None
 1.33A 4u14A-1szqA:
0.0		 4u14A-1szqA:
22.08
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASP A 290
TYR A 284
THR A 251
ALA A 255
ALA A 257
 None
 1.47A 4u14A-1tmoA:
0.0		 4u14A-1tmoA:
20.00
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.
1uzr RIBONUCLEOTIDE
REDUCTASE R2-2 SMALL
SUBUNIT

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		5 ASP A  72
TYR A 110
SER A 109
ALA A 187
TRP A  36
 FE  A1292 (-2.5A)
None
None
None
None
 1.42A 4u14A-1uzrA:
2.3		 4u14A-1uzrA:
20.52
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
 1.35A 4u14A-1v7vA:
undetectable		 4u14A-1v7vA:
19.78
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.
1zvt TOPOISOMERASE IV
SUBUNIT A

(Escherichia
coli) 		PF03989
(DNA_gyraseA_C) 		5 ILE A 622
TYR A 602
SER A 598
ALA A 680
ALA A 679
 None
 1.46A 4u14A-1zvtA:
undetectable		 4u14A-1zvtA:
18.34
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.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi) 		PF02156
(Glyco_hydro_26) 		5 ILE A   8
ASP A 241
TYR A 215
ALA A 152
ALA A 155
 None
 1.45A 4u14A-2bvtA:
undetectable		 4u14A-2bvtA:
22.65
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.
2dvl ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 THR A 306
ALA A 309
ALA A 295
TRP A  67
TYR A  94
 None
 1.49A 4u14A-2dvlA:
3.5		 4u14A-2dvlA:
23.48
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.
2gdz NAD+-DEPENDENT
15-HYDROXYPROSTAGLAN
DIN DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 SER A 123
THR A 162
ALA A 166
ALA A 168
ASN A 239
 None
 0.98A 4u14A-2gdzA:
undetectable		 4u14A-2gdzA:
20.04
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.
2mqd UNCHARACTERIZED
PROTEIN

(Lactobacillus
reuteri) 		no annotation 5 ILE A  54
TYR A  68
SER A  69
THR A  90
ALA A  32
 None
 1.48A 4u14A-2mqdA:
undetectable		 4u14A-2mqdA:
15.33
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.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ILE A 325
ASP A 327
TRP A 335
THR A 219
ALA A 222
 None
 1.41A 4u14A-2oaeA:
undetectable		 4u14A-2oaeA:
20.30
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.
2own PUTATIVE
OLEOYL-[ACYL-CARRIER
PROTEIN]
THIOESTERASE

(Lactobacillus
plantarum) 		PF01643
(Acyl-ACP_TE) 		5 TYR A  96
THR A   3
ALA A   6
ALA A   8
TYR A 111
 None
None
GOL  A 270 (-3.9A)
None
GOL  A 269 ( 3.6A)
 1.27A 4u14A-2ownA:
undetectable		 4u14A-2ownA:
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.
2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Mycobacterium
tuberculosis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 280
SER A 279
ALA A 158
TYR A 304
CYH A 112
 None
None
None
None
DFD  A 760 (-1.6A)
 1.09A 4u14A-2qnyA:
undetectable		 4u14A-2qnyA:
22.51
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.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		5 ASP A 144
ALA A 172
ALA A 185
ASN A 153
TYR A 113
 None
 1.30A 4u14A-3a9gA:
undetectable		 4u14A-3a9gA:
19.79
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.
3fha ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE

(Glutamicibacter
protophormiae) 		PF03644
(Glyco_hydro_85) 		5 TYR A 299
ALA A  94
ALA A  60
ASN A 123
TYR A 205
 None
 1.36A 4u14A-3fhaA:
undetectable		 4u14A-3fhaA:
19.11
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.
3qr2 BASIGIN

(Homo sapiens) 		PF13927
(Ig_3) 		5 ILE A  60
TYR A  64
SER A  70
ALA A   2
ALA A  25
 None
 1.49A 4u14A-3qr2A:
undetectable		 4u14A-3qr2A:
13.06
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ILE A 153
SER A 154
ALA A  94
ALA A  95
ASN A 115
 None
 1.30A 4u14A-3sutA:
undetectable		 4u14A-3sutA:
22.50
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 4u14A-3uonA:
38.6		 4u14A-3uonA:
73.62
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) 		12 ILE A  72
ASP A 103
TYR A 104
SER A 107
TRP A 155
THR A 187
ALA A 191
ALA A 194
TRP A 400
ASN A 404
TYR A 426
CYH A 429
 None
QNB  A1162 (-3.1A)
QNB  A1162 (-4.0A)
QNB  A1162 (-3.4A)
QNB  A1162 (-4.2A)
QNB  A1162 (-4.8A)
QNB  A1162 (-3.9A)
QNB  A1162 ( 4.0A)
QNB  A1162 (-4.7A)
QNB  A1162 (-2.9A)
QNB  A1162 ( 4.2A)
QNB  A1162 ( 4.0A)
 0.91A 4u14A-3uonA:
38.6		 4u14A-3uonA:
73.62
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) 		7 ILE A  72
ASP A 103
TYR A 104
THR A 190
TRP A 400
ASN A 404
CYH A 429
 None
QNB  A1162 (-3.1A)
QNB  A1162 (-4.0A)
QNB  A1162 (-4.3A)
QNB  A1162 (-4.7A)
QNB  A1162 (-2.9A)
QNB  A1162 ( 4.0A)
 1.43A 4u14A-3uonA:
38.6		 4u14A-3uonA:
73.62
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 ILE A  72
TYR A 104
THR A 190
ALA A 194
TRP A 400
CYH A 429
 None
QNB  A1162 (-4.0A)
QNB  A1162 (-4.3A)
QNB  A1162 ( 4.0A)
QNB  A1162 (-4.7A)
QNB  A1162 ( 4.0A)
 1.49A 4u14A-3uonA:
38.6		 4u14A-3uonA:
73.62
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.
3wwx S12 FAMILY PEPTIDASE

(Streptomyces
sp. 82F2) 		PF00144
(Beta-lactamase) 		5 ILE A 274
SER A 275
THR A  70
ALA A  60
ALA A 356
 None
 1.35A 4u14A-3wwxA:
undetectable		 4u14A-3wwxA:
20.08
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ILE A  91
THR A 144
ALA A 148
ALA A 151
TRP A 126
 None
 1.16A 4u14A-4fddA:
2.1		 4u14A-4fddA:
20.49
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.
4gdn PROTEIN FLP

(Staphylococcus
aureus) 		PF00144
(Beta-lactamase) 		5 TYR A 190
THR A 329
ALA A  95
ALA A 265
ASN A  97
 None
 1.45A 4u14A-4gdnA:
undetectable		 4u14A-4gdnA:
20.29
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 ASP A 103
TYR A 104
ALA A 191
TYR A 426
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
None
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 1.17A 4u14A-4mqtA:
33.1		 4u14A-4mqtA:
45.70
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 191
ALA A 194
TYR A 426
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
IXO  A 501 (-3.5A)
2CU  A 502 ( 3.9A)
 0.99A 4u14A-4mqtA:
33.1		 4u14A-4mqtA:
45.70
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
ALA A 191
ASN A 404
TYR A 426
CYH A 429
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
IXO  A 501 (-3.0A)
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 0.99A 4u14A-4mqtA:
33.1		 4u14A-4mqtA:
45.70
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 191
TRP A 400
ASN A 404
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.4A)
None
IXO  A 501 (-4.6A)
IXO  A 501 (-3.0A)
 1.23A 4u14A-4mqtA:
33.1		 4u14A-4mqtA:
45.70
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 ASP A 103
TYR A 104
TRP A 155
ALA A 191
TYR A 426
 IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.6A)
None
2CU  A 502 ( 3.9A)
 1.13A 4u14A-4mqtA:
33.1		 4u14A-4mqtA:
45.70
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 ILE A  72
ASP A 103
TYR A 104
THR A 187
ALA A 191
ALA A 194
TYR A 426
 None
IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
None
None
IXO  A 501 (-3.5A)
2CU  A 502 ( 3.9A)
 0.98A 4u14A-4mqtA:
33.1		 4u14A-4mqtA:
45.70
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) 		8 ILE A  72
ASP A 103
TYR A 104
THR A 187
ALA A 191
ASN A 404
TYR A 426
CYH A 429
 None
IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
None
None
IXO  A 501 (-3.0A)
2CU  A 502 ( 3.9A)
IXO  A 501 (-3.5A)
 0.89A 4u14A-4mqtA:
33.1		 4u14A-4mqtA:
45.70
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 ILE A  72
ASP A 103
TYR A 104
THR A 187
ALA A 191
TRP A 400
ASN A 404
 None
IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
None
None
IXO  A 501 (-4.6A)
IXO  A 501 (-3.0A)
 1.13A 4u14A-4mqtA:
33.1		 4u14A-4mqtA:
45.70
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 ILE A  72
ASP A 103
TYR A 104
TRP A 155
THR A 187
TRP A 400
 None
IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.6A)
None
IXO  A 501 (-4.6A)
 1.34A 4u14A-4mqtA:
33.1		 4u14A-4mqtA:
45.70
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 ILE A  72
ASP A 103
TYR A 104
TRP A 155
THR A 187
TYR A 426
 None
IXO  A 501 (-3.4A)
IXO  A 501 (-3.7A)
IXO  A 501 (-3.6A)
None
2CU  A 502 ( 3.9A)
 1.03A 4u14A-4mqtA:
33.1		 4u14A-4mqtA:
45.70
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.
4n4p ACYLNEURAMINATE
LYASE

(Mycoplasma
synoviae) 		PF00701
(DHDPS) 		5 ILE A 208
THR A  91
ALA A  95
ALA A  98
TYR A 139
 None
 0.94A 4u14A-4n4pA:
undetectable		 4u14A-4n4pA:
23.09
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.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		5 ILE A 290
TRP A 152
THR A 137
ALA A 306
CYH A 332
 None
 1.50A 4u14A-4q3rA:
undetectable		 4u14A-4q3rA:
22.04
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.
4tpg PROTON:OLIGOPEPTIDE
SYMPORTER POT FAMILY

(Shewanella
oneidensis) 		PF00854
(PTR2) 		5 ILE A 333
TYR A 291
THR A 296
ALA A 299
TYR A  29
 None
 1.48A 4u14A-4tpgA:
2.8		 4u14A-4tpgA:
22.74
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
ALA A 238
TYR A 529
CYH A 532
 3C0  A1202 (-3.4A)
3C0  A1202 (-3.7A)
None
3C0  A1202 (-3.5A)
3C0  A1202 (-3.7A)
3C0  A1202 (-3.6A)
 1.26A 4u14A-4u16A:
36.2		 4u14A-4u16A:
89.59
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 ILE A 116
ASP A 147
TYR A 148
SER A 151
TRP A 199
THR A 231
ALA A 235
ALA A 238
TRP A 503
ASN A 507
TYR A 529
CYH A 532
 None
3C0  A1202 (-3.4A)
3C0  A1202 (-3.7A)
3C0  A1202 (-2.9A)
3C0  A1202 (-4.4A)
None
3C0  A1202 (-3.5A)
3C0  A1202 (-3.5A)
3C0  A1202 ( 4.0A)
3C0  A1202 (-2.9A)
3C0  A1202 (-3.7A)
3C0  A1202 (-3.6A)
 0.47A 4u14A-4u16A:
36.2		 4u14A-4u16A:
89.59
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) 		7 ILE A 116
ASP A 147
TYR A 148
THR A 234
ASN A 507
TYR A 529
CYH A 532
 None
3C0  A1202 (-3.4A)
3C0  A1202 (-3.7A)
None
3C0  A1202 (-2.9A)
3C0  A1202 (-3.7A)
3C0  A1202 (-3.6A)
 1.38A 4u14A-4u16A:
36.2		 4u14A-4u16A:
89.59
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.
4zky PYRIDOXAMINE
5-PHOSPHATE OXIDASE

(Mycolicibacterium
smegmatis) 		PF01243
(Putative_PNPOx) 		5 ASP A  94
TRP A 137
ALA A   9
ALA A   6
TRP A  90
 None
 1.44A 4u14A-4zkyA:
undetectable		 4u14A-4zkyA:
15.25
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		5 ILE A 576
SER A 580
TRP A 581
ALA A 300
ALA A 299
 None
 1.49A 4u14A-5cbmA:
undetectable		 4u14A-5cbmA:
23.67
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 ASP A 105
TYR A 106
THR A 192
ALA A 196
TYR A 404
CYH A 407
 0HK  A 501 (-3.0A)
0HK  A 501 (-3.4A)
0HK  A 501 (-4.0A)
0HK  A 501 (-3.6A)
0HK  A 501 (-3.6A)
0HK  A 501 (-3.7A)
 1.28A 4u14A-5cxvA:
42.6		 4u14A-5cxvA:
73.59
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 ILE A  74
ASP A 105
TYR A 106
SER A 109
THR A 189
ALA A 193
ALA A 196
TRP A 378
ASN A 382
TYR A 404
CYH A 407
 None
0HK  A 501 (-3.0A)
0HK  A 501 (-3.4A)
0HK  A 501 (-3.1A)
0HK  A 501 (-4.4A)
0HK  A 501 (-3.9A)
0HK  A 501 (-3.6A)
0HK  A 501 (-4.4A)
0HK  A 501 (-2.8A)
0HK  A 501 (-3.6A)
0HK  A 501 (-3.7A)
 0.64A 4u14A-5cxvA:
42.6		 4u14A-5cxvA:
73.59
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) 		8 ILE A  74
ASP A 105
TYR A 106
THR A 192
TRP A 378
ASN A 382
TYR A 404
CYH A 407
 None
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)
 1.25A 4u14A-5cxvA:
42.6		 4u14A-5cxvA:
73.59
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 ILE A  74
ASP A 105
TYR A 106
TRP A 157
THR A 189
ALA A 193
ALA A 196
TRP A 378
ASN A 382
TYR A 404
CYH A 407
 None
0HK  A 501 (-3.0A)
0HK  A 501 (-3.4A)
0HK  A 501 (-4.0A)
0HK  A 501 (-4.4A)
0HK  A 501 (-3.9A)
0HK  A 501 (-3.6A)
0HK  A 501 (-4.4A)
0HK  A 501 (-2.8A)
0HK  A 501 (-3.6A)
0HK  A 501 (-3.7A)
 0.55A 4u14A-5cxvA:
42.6		 4u14A-5cxvA:
73.59
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
ALA A 203
TYR A 439
CYH A 442
 0HK  A1201 (-4.0A)
0HK  A1201 ( 3.2A)
OLC  A1208 (-4.4A)
0HK  A1201 (-3.6A)
0HK  A1201 (-3.6A)
0HK  A1201 (-3.6A)
 1.38A 4u14A-5dsgA:
41.2		 4u14A-5dsgA:
67.60
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) 		11 ILE A  81
ASP A 112
TYR A 113
SER A 116
THR A 196
ALA A 200
ALA A 203
TRP A 413
ASN A 417
TYR A 439
CYH A 442
 None
0HK  A1201 (-4.0A)
0HK  A1201 ( 3.2A)
0HK  A1201 (-3.3A)
P6G  A1205 (-4.6A)
0HK  A1201 ( 4.2A)
0HK  A1201 (-3.6A)
0HK  A1201 (-4.3A)
0HK  A1201 (-2.8A)
0HK  A1201 (-3.6A)
0HK  A1201 (-3.6A)
 0.71A 4u14A-5dsgA:
41.2		 4u14A-5dsgA:
67.60
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) 		8 ILE A  81
ASP A 112
TYR A 113
THR A 199
TRP A 413
ASN A 417
TYR A 439
CYH A 442
 None
0HK  A1201 (-4.0A)
0HK  A1201 ( 3.2A)
OLC  A1208 (-4.4A)
0HK  A1201 (-4.3A)
0HK  A1201 (-2.8A)
0HK  A1201 (-3.6A)
0HK  A1201 (-3.6A)
 1.45A 4u14A-5dsgA:
41.2		 4u14A-5dsgA:
67.60
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) 		11 ILE A  81
ASP A 112
TYR A 113
TRP A 164
THR A 196
ALA A 200
ALA A 203
TRP A 413
ASN A 417
TYR A 439
CYH A 442
 None
0HK  A1201 (-4.0A)
0HK  A1201 ( 3.2A)
OLC  A1208 ( 4.0A)
P6G  A1205 (-4.6A)
0HK  A1201 ( 4.2A)
0HK  A1201 (-3.6A)
0HK  A1201 (-4.3A)
0HK  A1201 (-2.8A)
0HK  A1201 (-3.6A)
0HK  A1201 (-3.6A)
 0.64A 4u14A-5dsgA:
41.2		 4u14A-5dsgA:
67.60
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.
5hiw CYTOCHROME P450
CYP260B1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 ILE A 298
THR A 232
ALA A 275
ALA A 276
TYR A  63
 None
HEM  A 401 (-3.7A)
HEM  A 401 ( 4.1A)
None
HEM  A 401 (-4.4A)
 1.45A 4u14A-5hiwA:
undetectable		 4u14A-5hiwA:
23.64
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.
5hw3 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		5 ILE A 220
TYR A 245
THR A 161
ALA A 184
ALA A 187
 None
 1.49A 4u14A-5hw3A:
undetectable		 4u14A-5hw3A:
20.19
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.
5jsc PUTATIVE ACYL-COA
DEHYDROGENASE

(Paraburkholderia
xenovorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 367
SER A 261
ALA A 327
ALA A 330
TYR A 373
 None
None
None
None
FAD  A 500 (-4.7A)
 1.31A 4u14A-5jscA:
3.4		 4u14A-5jscA:
21.14
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.
5m6q UNCHARACTERIZED
PROTEIN

(Kutzneria
albida) 		PF09017
(Transglut_prok) 		5 ASP A 182
TRP A 178
ALA A 125
ALA A 223
ASN A  82
 None
 1.44A 4u14A-5m6qA:
undetectable		 4u14A-5m6qA:
18.12
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 ILE A 579
ASP A 308
ALA A 229
ALA A 227
ASN A 232
 None
 1.24A 4u14A-5mfaA:
undetectable		 4u14A-5mfaA:
20.31
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.
5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Paenibacillus
sp. 598K) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 ASP A  59
TYR A  55
SER A 113
THR A 135
ALA A 123
 None
 1.48A 4u14A-5x7hA:
undetectable		 4u14A-5x7hA:
20.44
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.
6bgi ANOCTAMIN-1

(Mus musculus) 		no annotation 5 THR A 535
ALA A 538
ALA A 517
ASN A 542
TYR A 594
 None
 1.07A 4u14A-6bgiA:
3.2		 4u14A-6bgiA:
11.52
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 5 ILE A 389
ASP A 385
THR A 196
ALA A 192
ALA A 191
 None
 1.49A 4u14A-6bk1A:
undetectable		 4u14A-6bk1A:
10.18
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 253
TYR A 203
SER A 206
ALA A 169
ALA A 171
 EGY  C 301 ( 4.7A)
EGY  C 301 (-4.6A)
EGY  C 301 ( 3.9A)
None
None
 1.37A 4u14A-6c26A:
undetectable		 4u14A-6c26A:
10.24
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.
6gi2 FERRIC ENTEROBACTIN
ESTERASE

(Pseudomonas
aeruginosa) 		no annotation 5 SER A  29
THR A 104
ALA A 125
ALA A 127
TYR A  88
 None
 1.35A 4u14A-6gi2A:
undetectable		 4u14A-6gi2A:
12.59