SIMILAR PATTERNS OF AMINO ACIDS FOR 4QDJ_A_SAMA301

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.
1a0j TRYPSIN

(Salmo salar) 		PF00089
(Trypsin) 		5 VAL A 231
GLY A  44
ILE A 103
LEU A 105
LEU A  46
 None
 0.96A 4qdjA-1a0jA:
undetectable		 4qdjA-1a0jA:
21.26
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.
1au8 CATHEPSIN G

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A 231
GLY A  44
ILE A 103
LEU A 105
LEU A  46
 None
 1.02A 4qdjA-1au8A:
undetectable		 4qdjA-1au8A:
18.68
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.
1elv COMPLEMENT C1S
COMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 VAL A 653
GLY A 447
ILE A 515
LEU A 517
LEU A 449
 None
 1.00A 4qdjA-1elvA:
undetectable		 4qdjA-1elvA:
22.83
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.
1fi8 NATURAL KILLER CELL
PROTEASE 1

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 VAL A 231
GLY A  44
ILE A 103
LEU A 105
LEU A  46
 None
 0.95A 4qdjA-1fi8A:
undetectable		 4qdjA-1fi8A:
20.46
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.
1fq3 GRANZYME B

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A 231
GLY A  44
ILE A 103
LEU A 105
LEU A  46
 None
 1.03A 4qdjA-1fq3A:
undetectable		 4qdjA-1fq3A:
19.76
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.
1gvl KALLIKREIN 6

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A 231
GLY A  44
ILE A 103
LEU A 105
LEU A  46
 None
 1.04A 4qdjA-1gvlA:
undetectable		 4qdjA-1gvlA:
20.38
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.
1h4w TRYPSIN IVA

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A 231
GLY A  44
ILE A 103
LEU A 105
LEU A  46
 None
 1.04A 4qdjA-1h4wA:
undetectable		 4qdjA-1h4wA:
20.95
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.
1h9h TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 VAL E 231
GLY E  44
ILE E 103
LEU E 105
LEU E  46
 None
 1.04A 4qdjA-1h9hE:
undetectable		 4qdjA-1h9hE:
19.62
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.
1j17 TRYPSIN II, ANIONIC

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 VAL T 231
GLY T  44
ILE T 103
LEU T 105
LEU T  46
 None
 1.03A 4qdjA-1j17T:
undetectable		 4qdjA-1j17T:
18.65
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 VAL A  12
GLY A  72
GLY A  74
SER A  96
HIS A 141
 SAH  A1900 (-4.9A)
SAH  A1900 (-3.1A)
SAH  A1900 (-3.2A)
None
SAH  A1900 (-4.4A)
 0.90A 4qdjA-1kphA:
18.1		 4qdjA-1kphA:
21.90
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.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		6 VAL A  20
GLY A  80
GLY A  82
SER A 104
LEU A 144
HIS A 149
 SAH  A 900 (-4.6A)
SAH  A 900 (-3.3A)
SAH  A 900 (-3.1A)
None
SAH  A 900 (-4.3A)
SAH  A 900 (-4.3A)
 1.07A 4qdjA-1kpiA:
17.2		 4qdjA-1kpiA:
23.08
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.
1mbq TRYPSIN

(Oncorhynchus
keta) 		PF00089
(Trypsin) 		5 VAL A 231
GLY A  44
ILE A 103
LEU A 105
LEU A  46
 None
 0.98A 4qdjA-1mbqA:
undetectable		 4qdjA-1mbqA:
19.07
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.
1md7 C1R COMPLEMENT
SERINE PROTEASE

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 VAL A 673
GLY A 472
ILE A 541
LEU A 543
LEU A 474
 None
 1.05A 4qdjA-1md7A:
undetectable		 4qdjA-1md7A:
20.12
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.
1q90 CYTOCHROME B6F
COMPLEX SUBUNIT PETM
CYTOCHROME B6F
COMPLEX SUBUNIT PETN

(Chlamydomonas
reinhardtii;
Chlamydomonas
reinhardtii) 		PF08041
(PetM)
PF03742
(PetN) 		5 GLY M  84
GLY M  80
LEU M  88
LEU N  90
VAL N  92
 None
 1.02A 4qdjA-1q90M:
undetectable		 4qdjA-1q90M:
11.11
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.
1qo8 FLAVOCYTOCHROME C3
FUMARATE REDUCTASE

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 VAL A 150
GLY A 286
GLY A 300
LEU A 276
VAL A 304
 None
 1.01A 4qdjA-1qo8A:
undetectable		 4qdjA-1qo8A:
18.97
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 VAL A  12
GLY A  72
GLY A  74
SER A  96
HIS A 141
 SAH  A1900 (-4.8A)
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
None
16A  A1901 ( 4.2A)
 0.85A 4qdjA-1tpyA:
18.1		 4qdjA-1tpyA:
20.86
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 GLY A  48
ILE A  68
SER A  69
MET A  72
HIS A 115
 SAM  A 302 (-3.6A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.8A)
 0.73A 4qdjA-1ve3A:
19.1		 4qdjA-1ve3A:
21.57
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.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00291
(PALP) 		5 GLY B 305
ILE B 183
SER B 185
LEU B 278
HIS B 275
 None
None
PLP  B 400 (-3.0A)
None
None
 1.02A 4qdjA-1wdwB:
2.1		 4qdjA-1wdwB:
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.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE

(Salmonella
enterica) 		PF04223
(CitF) 		5 PHE A 325
GLY A 273
SER A 366
ILE A 303
LEU A 300
 None
 1.02A 4qdjA-1xr4A:
2.9		 4qdjA-1xr4A:
19.80
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.
1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 VAL A 672
GLY A 470
ILE A 533
LEU A 535
LEU A 472
 None
 1.05A 4qdjA-1zjkA:
undetectable		 4qdjA-1zjkA:
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		6 GLY A  50
GLY A  52
SER A  73
MET A  76
LEU A  49
VAL A 112
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
None
SAI  A1300 (-3.9A)
 1.16A 4qdjA-2avnA:
17.8		 4qdjA-2avnA:
23.44
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		6 GLY A  50
GLY A  52
SER A  73
MET A  76
LEU A 109
VAL A 112
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.9A)
 0.38A 4qdjA-2avnA:
17.8		 4qdjA-2avnA:
23.44
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.
2cvz 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 VAL A 139
GLY A 161
GLY A 159
VAL A 155
HIS A 154
 None
 0.70A 4qdjA-2cvzA:
4.7		 4qdjA-2cvzA:
24.09
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.
2eek TRYPSIN-1

(Gadus morhua) 		PF00089
(Trypsin) 		5 VAL A 231
GLY A  44
ILE A 103
LEU A 105
LEU A  46
 None
 0.95A 4qdjA-2eekA:
undetectable		 4qdjA-2eekA:
17.67
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.
2gs9 HYPOTHETICAL PROTEIN
TT1324

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 PHE A   4
GLY A  45
GLY A  47
SER A  66
MET A  69
 SAH  A 301 (-3.7A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.5A)
SAH  A 301 (-4.2A)
 0.35A 4qdjA-2gs9A:
16.4		 4qdjA-2gs9A:
21.96
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.
2gza TYPE IV SECRETION
SYSTEM PROTEIN
VIRB11

(Brucella suis) 		PF00437
(T2SSE) 		5 GLY A 187
GLY A 185
LEU A 191
VAL A 328
HIS A 327
 SO4  A1001 (-3.7A)
SO4  A1001 (-2.6A)
None
None
None
 0.92A 4qdjA-2gzaA:
undetectable		 4qdjA-2gzaA:
22.56
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 PHE A 331
GLY A 279
SER A 373
ILE A 309
LEU A 306
 CIT  A 601 (-4.4A)
None
None
None
None
 1.01A 4qdjA-2hj0A:
3.8		 4qdjA-2hj0A:
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.
2p35 TRANS-ACONITATE
2-METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13489
(Methyltransf_23) 		5 GLY A  38
GLY A  40
MET A  66
LEU A  84
VAL A 101
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.3A)
SAH  A 301 (-4.7A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.1A)
 0.98A 4qdjA-2p35A:
15.7		 4qdjA-2p35A:
22.11
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.
2qy0 COMPLEMENT C1R
SUBCOMPONENT

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL B 673
GLY B 472
ILE B 541
LEU B 543
LEU B 474
 None
 1.02A 4qdjA-2qy0B:
undetectable		 4qdjA-2qy0B:
21.48
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.
2r2w PLASMINOGEN
ACTIVATOR, UROKINASE

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL U 231
GLY U  44
ILE U 103
LEU U 105
LEU U  46
 None
 1.03A 4qdjA-2r2wU:
undetectable		 4qdjA-2r2wU:
18.73
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.
2zec TRYPTASE BETA 2

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A 245
GLY A  46
ILE A 107
LEU A 109
LEU A  48
 None
 1.03A 4qdjA-2zecA:
undetectable		 4qdjA-2zecA:
19.29
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.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 GLY A   2
GLY A 216
SER A  98
LEU A 219
HIS A 259
 None
 1.00A 4qdjA-3a52A:
undetectable		 4qdjA-3a52A:
19.95
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		6 GLY A  69
GLY A  71
ILE A  92
SER A  93
LEU A 136
HIS A 141
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
SAH  A 274 (-4.0A)
None
SAH  A 274 (-4.3A)
SAH  A 274 (-4.0A)
 0.85A 4qdjA-3busA:
16.1		 4qdjA-3busA:
25.89
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  40
GLY A  42
SER A  62
MET A  65
LEU A 102
 None
 0.86A 4qdjA-3d2lA:
17.3		 4qdjA-3d2lA:
23.66
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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 PHE A   8
GLY A  50
GLY A  52
SER A  74
MET A  77
 SAM  A 220 ( 3.7A)
SAM  A 220 (-3.5A)
SAM  A 220 (-3.2A)
GOL  A 222 ( 3.2A)
SAM  A 220 ( 3.8A)
 0.79A 4qdjA-3dlcA:
16.1		 4qdjA-3dlcA:
24.42
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		5 GLY A 290
GLY A 292
ILE A 312
MET A 316
HIS A 354
 None
 0.67A 4qdjA-3dliA:
16.4		 4qdjA-3dliA:
24.82
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 GLY A  50
GLY A  52
SER A  75
MET A  78
HIS A 119
 None
 0.62A 4qdjA-3dtnA:
17.2		 4qdjA-3dtnA:
25.57
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.
3e6a GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
CYTOSOLIC

(Oryza sativa) 		no annotation 5 VAL O 121
GLY O 102
ILE O 123
SER O 124
HIS O 113
 None
 1.00A 4qdjA-3e6aO:
4.2		 4qdjA-3e6aO:
21.51
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.
3e7d COBH, PRECORRIN-8X
METHYLMUTASE

(Brucella
abortus) 		PF02570
(CbiC) 		5 VAL A 200
GLY A 134
GLY A 192
ILE A 158
VAL A  79
 None
 0.90A 4qdjA-3e7dA:
undetectable		 4qdjA-3e7dA:
26.10
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.
3g01 GRANZYME C

(Mus musculus) 		PF00089
(Trypsin) 		5 VAL A 234
GLY A  52
ILE A 110
LEU A 112
LEU A  54
 None
 0.90A 4qdjA-3g01A:
undetectable		 4qdjA-3g01A:
22.05
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		5 PHE A   4
GLY A  44
GLY A  46
SER A  70
MET A  73
 SAH  A 308 ( 4.3A)
SAH  A 308 (-3.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-4.8A)
SAH  A 308 (-4.4A)
 0.58A 4qdjA-3g5tA:
12.9		 4qdjA-3g5tA:
22.39
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.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 GLY A 184
GLY A 186
ILE A 207
SER A 208
LEU A 234
 GOL  A 322 ( 3.7A)
None
GOL  A 322 (-4.1A)
None
GOL  A 322 (-4.4A)
 0.68A 4qdjA-3grzA:
16.8		 4qdjA-3grzA:
27.78
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  53
GLY A  55
SER A  76
MET A  79
HIS A 118
 None
 0.62A 4qdjA-3hnrA:
16.8		 4qdjA-3hnrA:
27.38
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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		7 GLY A 721
GLY A 723
ILE A 746
SER A 747
LEU A 795
VAL A 797
HIS A 800
 SAH  A 951 (-4.3A)
SAH  A 951 (-3.7A)
SAH  A 951 (-3.8A)
U  C   1 (-2.6A)
SAH  A 951 (-3.9A)
SAH  A 951 (-3.9A)
MG  A 950 ( 3.2A)
 0.58A 4qdjA-3htxA:
16.4		 4qdjA-3htxA:
12.74
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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		7 GLY A 721
GLY A 723
SER A 726
ILE A 746
SER A 747
VAL A 797
HIS A 800
 SAH  A 951 (-4.3A)
SAH  A 951 (-3.7A)
SAH  A 951 (-3.1A)
SAH  A 951 (-3.8A)
U  C   1 (-2.6A)
SAH  A 951 (-3.9A)
MG  A 950 ( 3.2A)
 0.66A 4qdjA-3htxA:
16.4		 4qdjA-3htxA:
12.74
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.
3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Enterococcus
faecalis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		6 VAL A  18
GLY A 168
GLY A 143
ILE A 288
LEU A 140
VAL A  63
 None
 1.41A 4qdjA-3il4A:
undetectable		 4qdjA-3il4A:
21.92
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.
3jua TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-3

(Mus musculus) 		no annotation 5 VAL A 309
PHE A 222
ILE A 354
MET A 219
LEU A 389
 None
 1.02A 4qdjA-3juaA:
undetectable		 4qdjA-3juaA:
22.99
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.
3l8d METHYLTRANSFERASE

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
ILE A  83
SER A  84
MET A  87
 None
 0.39A 4qdjA-3l8dA:
16.0		 4qdjA-3l8dA:
20.78
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.
3mkv PUTATIVE
AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 GLY A 166
GLY A 107
SER A 130
LEU A 134
HIS A 140
 None
None
KCX  A 191 ( 3.9A)
KCX  A 191 ( 3.8A)
SO4  A 427 (-4.0A)
 1.04A 4qdjA-3mkvA:
undetectable		 4qdjA-3mkvA:
22.35
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.
3nc3 CYTOCHROME P450 CYPX

(Bacillus
subtilis) 		PF00067
(p450) 		5 VAL A 400
GLY A 132
SER A 397
LEU A 242
LEU A 115
 None
 0.95A 4qdjA-3nc3A:
undetectable		 4qdjA-3nc3A:
21.17
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 VAL A  46
PHE A  50
GLY A 260
MET A 263
LEU A 271
 None
 1.04A 4qdjA-3q1yA:
4.1		 4qdjA-3q1yA:
23.68
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.
3rp2 RAT MAST CELL
PROTEASE II

(Rattus rattus) 		PF00089
(Trypsin) 		5 VAL A 231
GLY A  44
ILE A 103
LEU A 105
LEU A  46
 None
 1.01A 4qdjA-3rp2A:
undetectable		 4qdjA-3rp2A:
21.89
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.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		6 VAL A 123
GLY A  89
SER A 169
ILE A 128
LEU A  59
VAL A  96
 None
 1.17A 4qdjA-4cp8A:
undetectable		 4qdjA-4cp8A:
19.34
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.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		6 VAL A 123
GLY A 131
GLY A  89
SER A 169
LEU A  59
VAL A  96
 None
 1.28A 4qdjA-4cp8A:
undetectable		 4qdjA-4cp8A:
19.34
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.
4djm DRAB

(Escherichia
coli) 		PF00345
(PapD_N)
PF02753
(PapD_C) 		6 VAL A  58
PHE A  69
GLY A  39
SER A  37
LEU A  42
VAL A  31
 None
 1.49A 4qdjA-4djmA:
undetectable		 4qdjA-4djmA:
20.07
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.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		5 GLY A 608
GLY A 584
SER A 501
LEU A 617
VAL A 619
 None
 1.04A 4qdjA-4fwgA:
undetectable		 4qdjA-4fwgA:
16.05
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY B  52
GLY B  54
SER B  75
MET B  78
VAL B 121
 SAM  B 301 (-3.5A)
SAM  B 301 (-3.4A)
SAM  B 301 (-4.7A)
SAM  B 301 (-4.0A)
SAM  B 301 ( 4.3A)
 0.34A 4qdjA-4htfB:
18.8		 4qdjA-4htfB:
26.13
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 GLY A 232
GLY A 234
SER A 256
MET A 259
HIS A 303
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.9A)
SAH  A 501 (-4.0A)
 0.76A 4qdjA-4ineA:
18.2		 4qdjA-4ineA:
18.78
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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
ILE A  84
MET A  88
HIS A 130
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.8A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.9A)
 0.99A 4qdjA-4iv8A:
16.6		 4qdjA-4iv8A:
24.25
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.
4j1y COMPLEMENT C1S
SUBCOMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 VAL A 668
GLY A 462
ILE A 530
LEU A 532
LEU A 464
 None
 1.00A 4qdjA-4j1yA:
undetectable		 4qdjA-4j1yA:
21.00
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.
4jxb INVASION-ASSOCIATED
PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 GLY A  85
GLY A  63
SER A  59
ILE A  65
SER A  66
 None
 0.88A 4qdjA-4jxbA:
undetectable		 4qdjA-4jxbA:
24.28
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A 228
GLY A 230
SER A 252
MET A 255
HIS A 299
 SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
 0.71A 4qdjA-4kriA:
18.8		 4qdjA-4kriA:
19.77
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  60
GLY A  62
ILE A  83
MET A  87
HIS A 129
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.9A)
 0.89A 4qdjA-4mwzA:
17.4		 4qdjA-4mwzA:
22.89
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.
4q80 SERINE PROTEASE 57

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A 231
GLY A  44
ILE A 103
LEU A 105
LEU A  46
 None
 0.87A 4qdjA-4q80A:
undetectable		 4qdjA-4q80A:
21.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		7 PHE A  16
GLY A  70
GLY A  72
ILE A  92
SER A  93
MET A  96
LEU A  76
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.2A)
None
 1.27A 4qdjA-4qdkA:
39.3		 4qdjA-4qdkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		12 VAL A  12
PHE A  16
GLY A  70
GLY A  72
SER A  75
ILE A  92
SER A  93
MET A  96
LEU A 121
LEU A 134
VAL A 136
HIS A 139
 SAH  A 301 (-4.9A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.5A)
SAH  A 301 (-3.8A)
None
 0.20A 4qdjA-4qdkA:
39.3		 4qdjA-4qdkA:
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 GLY B  55
GLY B  57
ILE B  78
SER B  79
MET B  82
 SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-3.7A)
EDO  B 310 ( 3.0A)
SAM  B 301 (-4.4A)
 0.41A 4qdjA-4qtuB:
17.3		 4qdjA-4qtuB:
26.72
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.
4x9x DEGV
DOMAIN-CONTAINING
PROTEIN MW1315

(Staphylococcus
aureus) 		PF02645
(DegV) 		5 GLY A 121
GLY A 123
ILE A 118
LEU A 277
VAL A 275
 None
None
OLA  A 301 (-3.7A)
None
None
 1.05A 4qdjA-4x9xA:
undetectable		 4qdjA-4x9xA:
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.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL H 231
GLY H  44
ILE H 103
LEU H 105
LEU H  46
 None
 0.98A 4qdjA-4ylqH:
undetectable		 4qdjA-4ylqH:
22.39
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 GLY A 133
SER A 135
ILE A 252
LEU A  87
VAL A 101
 None
 1.04A 4qdjA-4yw5A:
undetectable		 4qdjA-4yw5A:
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.
4zxo GLYCOSYL HYDROLASE
FAMILY 26

(Bacteroides
ovatus) 		PF02156
(Glyco_hydro_26) 		5 VAL A 182
GLY A  81
GLY A  52
SER A  84
LEU A 356
 None
 1.05A 4qdjA-4zxoA:
undetectable		 4qdjA-4zxoA:
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.
5bp9 PUTATIVE
METHYLTRANSFERASE
PROTEIN

(Bacteroides
fragilis) 		PF13489
(Methyltransf_23) 		5 GLY A  88
GLY A  90
ILE A 110
LEU A 131
LEU A 146
 SAH  A 303 (-3.3A)
SAH  A 303 ( 3.7A)
SAH  A 303 ( 4.0A)
SAH  A 303 (-4.7A)
None
 1.01A 4qdjA-5bp9A:
13.8		 4qdjA-5bp9A:
23.23
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.
5bp9 PUTATIVE
METHYLTRANSFERASE
PROTEIN

(Bacteroides
fragilis) 		PF13489
(Methyltransf_23) 		5 GLY A  88
GLY A  90
ILE A 110
SER A 111
LEU A 146
 SAH  A 303 (-3.3A)
SAH  A 303 ( 3.7A)
SAH  A 303 ( 4.0A)
None
None
 0.63A 4qdjA-5bp9A:
13.8		 4qdjA-5bp9A:
23.23
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.
5bpt MGC81278 PROTEIN

(Xenopus laevis) 		PF12894
(ANAPC4_WD40)
PF12896
(ANAPC4) 		5 GLY A 176
ILE A 191
SER A 192
LEU A 199
VAL A 212
 None
 1.01A 4qdjA-5bptA:
undetectable		 4qdjA-5bptA:
15.28
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.
5bqs 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Streptococcus
pneumoniae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		6 VAL A  13
GLY A 163
GLY A 138
ILE A 287
LEU A 135
VAL A  58
 None
 1.36A 4qdjA-5bqsA:
undetectable		 4qdjA-5bqsA:
21.21
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.
5cm2 TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica) 		PF08241
(Methyltransf_11) 		5 GLY Z  64
GLY Z  66
SER Z  85
VAL Z 124
HIS Z 127
 None
 0.30A 4qdjA-5cm2Z:
16.6		 4qdjA-5cm2Z:
25.39
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.
5dgk ACTIVE HELICASE

(Staphylococcus
aureus) 		PF06048
(DUF927) 		5 GLY A 117
GLY A 115
ILE A 258
LEU A 188
LEU A 126
 None
 1.02A 4qdjA-5dgkA:
undetectable		 4qdjA-5dgkA:
17.76
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.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		5 GLY A  69
GLY A  71
ILE A  92
LEU A 119
VAL A 137
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.9A)
SAH  A 301 ( 4.4A)
 0.90A 4qdjA-5e1bA:
17.0		 4qdjA-5e1bA:
22.47
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.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		5 GLY A  69
GLY A  71
ILE A  92
VAL A 137
HIS A 140
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.9A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.8A)
 0.97A 4qdjA-5e1bA:
17.0		 4qdjA-5e1bA:
22.47
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.
5ez7 FLAVOENZYME PA4991

(Pseudomonas
aeruginosa) 		PF01266
(DAO) 		5 GLY A 188
ILE A 196
SER A   6
LEU A 189
VAL A 201
 None
 1.00A 4qdjA-5ez7A:
undetectable		 4qdjA-5ez7A:
22.52
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 VAL I  63
GLY I 102
ILE I  37
LEU I 100
VAL I  76
 None
 1.02A 4qdjA-5fmgI:
undetectable		 4qdjA-5fmgI:
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.
5gmt ALGINATE LYASE

(Aplysia kurodai) 		no annotation 5 PHE A  23
GLY A  66
ILE A  26
SER A  69
MET A 230
 None
 1.00A 4qdjA-5gmtA:
undetectable		 4qdjA-5gmtA:
22.40
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.
5kin TRYPTOPHAN SYNTHASE
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00291
(PALP) 		5 GLY B 315
SER B 319
SER B 194
LEU B 288
HIS B 285
 None
None
LLP  B  91 ( 3.0A)
None
None
 1.05A 4qdjA-5kinB:
undetectable		 4qdjA-5kinB:
20.62
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.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		5 GLY A 135
GLY A 137
SER A 140
SER A 160
HIS A 206
 SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-3.3A)
None
SAH  A 401 (-3.9A)
 0.91A 4qdjA-5kpgA:
14.2		 4qdjA-5kpgA:
19.90
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.
5n0g PRECORRIN-8X
METHYLMUTASE

(Rhodobacter
capsulatus) 		no annotation 5 VAL A 201
GLY A 135
GLY A 193
ILE A 160
VAL A  80
 None
 0.85A 4qdjA-5n0gA:
2.2		 4qdjA-5n0gA:
undetectable
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.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 VAL A 382
GLY A 402
GLY A 434
LEU A 482
VAL A 453
 None
 0.97A 4qdjA-5t88A:
undetectable		 4qdjA-5t88A:
16.43
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.
5tii 3-OXOACYL-ACP
REDUCTASE

(uncultured
bacterium) 		PF13561
(adh_short_C2) 		5 GLY A  22
GLY A  20
ILE A 142
LEU A  27
VAL A  25
 None
 1.00A 4qdjA-5tiiA:
7.1		 4qdjA-5tiiA:
21.95
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.
5ubm COMPLEMENT C1S
SUBCOMPONENT

(Homo sapiens) 		no annotation 5 VAL A 668
GLY A 462
ILE A 530
LEU A 532
LEU A 464
 None
 1.04A 4qdjA-5ubmA:
undetectable		 4qdjA-5ubmA:
20.50
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.
5ucv PROBABLE GTP-BINDING
PROTEIN ENGB

(Neisseria
gonorrhoeae) 		PF01926
(MMR_HSR1) 		5 VAL A 137
GLY A  30
ILE A 139
LEU A 119
LEU A 122
 None
 1.01A 4qdjA-5ucvA:
undetectable		 4qdjA-5ucvA:
22.39
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.
5uwa PROBABLE
PHOSPHOLIPID-BINDING
PROTEIN MLAC

(Escherichia
coli) 		PF05494
(MlaC) 		5 GLY A 106
SER A 201
LEU A 109
LEU A 101
VAL A  60
 None
 0.98A 4qdjA-5uwaA:
undetectable		 4qdjA-5uwaA:
23.11
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 PHE A 275
SER A 384
ILE A 377
LEU A 389
VAL A 392
 None
 1.01A 4qdjA-5v9xA:
3.8		 4qdjA-5v9xA:
undetectable
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.
5wls POLLEN RECEPTOR-LIKE
KINASE 3

(Arabidopsis
thaliana) 		no annotation 5 VAL A  36
SER A 127
SER A  79
LEU A  98
LEU A 107
 None
None
NAG  A 301 (-4.2A)
None
None
 0.99A 4qdjA-5wlsA:
undetectable		 4qdjA-5wlsA:
undetectable
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A 290
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 0.83A 4qdjA-5wp4A:
18.9		 4qdjA-5wp4A:
20.16
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLY A 290
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 501 (-3.8A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-4.0A)
SAH  A 501 (-4.0A)
 0.71A 4qdjA-5wp5A:
16.1		 4qdjA-5wp5A:
18.65
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 5 GLY A  25
GLY A  27
SER A  30
ILE A  49
HIS A 106
 SAM  A 800 (-3.6A)
SAM  A 800 (-3.5A)
None
SAM  A 800 (-4.0A)
SAM  A 800 (-4.1A)
 0.76A 4qdjA-5wy0A:
15.1		 4qdjA-5wy0A:
undetectable
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 5 GLY A 175
GLY A 177
ILE A 198
SER A 199
HIS A 240
 None
None
None
None
LOP  A 402 (-3.2A)
 0.79A 4qdjA-6bqcA:
16.6		 4qdjA-6bqcA:
undetectable
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 5 GLY A 837
GLY A 839
ILE A 865
SER A 866
VAL A 912
 SAH  A1102 (-3.5A)
SAH  A1102 (-3.4A)
SAH  A1102 (-3.6A)
None
SAH  A1102 ( 4.5A)
 0.66A 4qdjA-6d6yA:
14.9		 4qdjA-6d6yA:
undetectable
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.
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1

(Homo sapiens) 		no annotation 5 VAL A  78
PHE A  74
GLY A1375
LEU A 103
LEU A 118
 None
 1.02A 4qdjA-6f9nA:
undetectable		 4qdjA-6f9nA:
undetectable
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.
6gui -

(-) 		no annotation 5 GLY A 146
ILE A  51
MET A 271
LEU A 144
LEU A 152
 None
 1.03A 4qdjA-6guiA:
undetectable		 4qdjA-6guiA:
undetectable
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.
6gun -

(-) 		no annotation 5 GLY A 153
ILE A  55
MET A 284
LEU A 151
LEU A 159
 None
 1.00A 4qdjA-6gunA:
undetectable		 4qdjA-6gunA:
undetectable
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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		4 HIS A 133
ASP A  85
ASP A 365
TYR A 277
 None
 1.01A 4qdjA-1cemA:
undetectable		 4qdjA-1cemA:
19.21
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.
1ehy PROTEIN (SOLUBLE
EPOXIDE HYDROLASE)

(Agrobacterium
tumefaciens) 		PF00561
(Abhydrolase_1) 		4 HIS A 198
ASP A  62
ASP A  88
TYR A 214
 None
 1.44A 4qdjA-1ehyA:
2.1		 4qdjA-1ehyA:
19.22
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.
1f8v MATURE CAPSID
PROTEIN BETA

(Pariacoto virus) 		PF01829
(Peptidase_A6) 		4 TYR A 135
ASP A  72
ASP A  68
TYR A 240
 None
 1.43A 4qdjA-1f8vA:
undetectable		 4qdjA-1f8vA:
21.62
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.
1hqo URE2 PROTEIN

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 TYR A 256
HIS A 223
ASP A 321
TYR A 235
 None
 1.42A 4qdjA-1hqoA:
undetectable		 4qdjA-1hqoA:
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 HIS A 276
ASP A  43
ASP A  86
TYR A 146
 None
 1.44A 4qdjA-1i2dA:
1.6		 4qdjA-1i2dA:
17.25
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.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		4 HIS A 256
ASP A 229
ASP A 160
TYR A  73
 ZN  A 501 (-3.3A)
None
None
None
 0.97A 4qdjA-2anpA:
0.8		 4qdjA-2anpA:
21.68
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		4 TYR A 251
ASP A 290
ASP A 400
TYR A  10
 None
SUC  A2064 (-2.9A)
None
None
 1.40A 4qdjA-2gduA:
undetectable		 4qdjA-2gduA:
20.73
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.
3cyj MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 133
HIS A 313
ASP A 192
TYR A 248
 None
None
NA  A 371 (-2.5A)
None
 1.09A 4qdjA-3cyjA:
0.9		 4qdjA-3cyjA:
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		4 TYR A  26
ASP A  42
ASP A  68
TYR A  14
 None
SAH  A 308 ( 4.9A)
SAH  A 308 (-2.6A)
SAH  A 308 ( 4.6A)
 1.41A 4qdjA-3g5tA:
12.8		 4qdjA-3g5tA:
22.39
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.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TYR A  66
HIS A 152
ASP A  74
ASP A  79
 None
 1.17A 4qdjA-3lewA:
undetectable		 4qdjA-3lewA:
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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		4 TYR A 241
HIS A 245
ASP A  30
ASP A  23
 None
None
CA  A 400 (-2.3A)
None
 1.40A 4qdjA-4kpnA:
2.7		 4qdjA-4kpnA:
21.16
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.
4p4g SHIKIMATE
5-DEHYDROGENASE AROE
(5-DEHYDROSHIKIMATE
REDUCTASE)

(Mycobacterium
tuberculosis) 		PF08501
(Shikimate_dh_N) 		4 TYR A 215
HIS A  17
ASP A 105
ASP A 102
 SKM  A 301 (-4.5A)
None
SKM  A 301 (-2.8A)
None
 1.50A 4qdjA-4p4gA:
5.7		 4qdjA-4p4gA:
25.25
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.
4pyh PHOSPHOGLUCAN
PHOSPHATASE DSP4,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00782
(DSPc)
PF16561
(AMPK1_CBM) 		4 TYR A  90
HIS A  92
ASP A 166
ASP A 171
 None
None
GLC  A 402 ( 2.7A)
GOL  A 409 (-2.6A)
 1.45A 4qdjA-4pyhA:
undetectable		 4qdjA-4pyhA:
24.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		5 TYR A  28
HIS A  44
ASP A  91
ASP A 120
TYR A 140
 SAH  A 301 (-4.4A)
SAH  A 301 (-3.7A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.6A)
 0.11A 4qdjA-4qdkA:
39.3		 4qdjA-4qdkA:
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.
4qma CYSTEINE DIOXYGENASE
TYPE I

(Cupriavidus
pinatubonensis) 		PF05995
(CDO_I) 		4 TYR A 164
HIS A 162
ASP A 145
TYR A 176
 OXY  A 302 (-4.9A)
None
None
None
 1.34A 4qdjA-4qmaA:
undetectable		 4qdjA-4qmaA:
23.53
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.
5dgo CELL DIVISION
CONTROL PROTEIN 45
HOMOLOG

(Homo sapiens) 		PF02724
(CDC45) 		4 HIS A 541
ASP A  99
ASP A 123
TYR A 193
 None
 1.37A 4qdjA-5dgoA:
2.7		 4qdjA-5dgoA:
17.09
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.
5ndf POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		no annotation 4 TYR A 367
HIS A 365
ASP A 224
TYR A 324
 UDP  A 602 (-3.7A)
None
UDP  A 602 ( 3.2A)
None
 1.49A 4qdjA-5ndfA:
undetectable		 4qdjA-5ndfA:
17.07
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus) 		no annotation 4 TYR A 554
HIS A 530
ASP A 604
ASP A 465
 None
 1.34A 4qdjA-5y3jA:
undetectable		 4qdjA-5y3jA:
undetectable