SIMILAR PATTERNS OF AMINO ACIDS FOR 5O96_H_SAMH501_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		5 LEU A 164
PRO A 166
GLY A 188
GLY A 191
VAL A 218
 None
None
NDP  A 300 (-3.2A)
NDP  A 300 (-4.4A)
None
 0.91A 5o96G-1a80A:
2.0
5o96H-1a80A:
undetectable		 5o96G-1a80A:
22.76
5o96H-1a80A:
22.76
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 GLY A 191
LEU A 115
VAL A 147
LEU A 146
THR A 103
 None
 1.04A 5o96G-1c2oA:
undetectable
5o96H-1c2oA:
undetectable		 5o96G-1c2oA:
19.26
5o96H-1c2oA:
19.26
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		6 GLY A 192
LEU A 138
VAL A 147
LEU A 146
THR A 103
ALA A 139
 None
 1.34A 5o96G-1c2oA:
undetectable
5o96H-1c2oA:
undetectable		 5o96G-1c2oA:
19.26
5o96H-1c2oA:
19.26
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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		5 LEU A 102
GLY A 100
GLY A  96
LEU A 159
ALA A 160
 None
 1.04A 5o96G-1cemA:
undetectable
5o96H-1cemA:
undetectable		 5o96G-1cemA:
20.27
5o96H-1cemA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cs1 PROTEIN
(CYSTATHIONINE
GAMMA-SYNTHASE)

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 244
GLY A 202
LEU A  64
THR A 247
ALA A   9
 None
LLP  A 198 ( 3.3A)
None
None
None
 1.05A 5o96G-1cs1A:
undetectable
5o96H-1cs1A:
2.2		 5o96G-1cs1A:
23.14
5o96H-1cs1A:
23.14
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.
1d0b INTERNALIN B

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 LEU A 125
GLY A 123
LEU A 116
LEU A 119
THR A 101
 None
 1.07A 5o96G-1d0bA:
undetectable
5o96H-1d0bA:
undetectable		 5o96G-1d0bA:
20.39
5o96H-1d0bA:
20.39
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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		5 LEU A 230
VAL A 237
LEU A 236
THR A 257
ALA A 259
 None
 1.03A 5o96G-1dgmA:
3.5
5o96H-1dgmA:
2.2		 5o96G-1dgmA:
21.68
5o96H-1dgmA:
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 LEU A 458
GLY A 488
GLY A 463
THR A 493
ALA A 495
 None
 1.00A 5o96G-1f4hA:
2.1
5o96H-1f4hA:
2.8		 5o96G-1f4hA:
12.70
5o96H-1f4hA:
12.70
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.
1jbk CLPB PROTEIN

(Escherichia
coli) 		PF00004
(AAA) 		5 LEU A 303
PRO A 301
GLY A 306
LEU A 299
LEU A 263
 None
 1.04A 5o96G-1jbkA:
undetectable
5o96H-1jbkA:
undetectable		 5o96G-1jbkA:
23.48
5o96H-1jbkA:
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.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		5 LEU A 555
GLY A 580
LEU A 544
VAL A 538
ALA A 545
 None
 1.01A 5o96G-1jqkA:
undetectable
5o96H-1jqkA:
3.9		 5o96G-1jqkA:
18.93
5o96H-1jqkA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		5 LEU A  72
GLY A 103
GLY A 107
LEU A 122
LEU A 127
 None
 0.46A 5o96G-1ns5A:
6.2
5o96H-1ns5A:
5.6		 5o96G-1ns5A:
22.05
5o96H-1ns5A:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		7 LEU A 171
GLY A 195
LEU A 218
VAL A 222
LEU A 223
THR A 225
ALA A 228
 None
 0.68A 5o96G-1nxzA:
22.1
5o96H-1nxzA:
29.8		 5o96G-1nxzA:
49.59
5o96H-1nxzA:
49.59
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.
1p9p TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF01746
(tRNA_m1G_MT) 		5 LEU A  87
PRO A  89
GLY A 113
GLY A 117
LEU A 138
 SAH  A 300 (-4.4A)
SAH  A 300 (-3.8A)
SAH  A 300 (-3.2A)
SAH  A 300 (-3.6A)
SAH  A 300 (-4.1A)
 0.92A 5o96G-1p9pA:
7.5
5o96H-1p9pA:
8.2		 5o96G-1p9pA:
22.49
5o96H-1p9pA:
22.49
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.
1p9p TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF01746
(tRNA_m1G_MT) 		5 PRO A  89
GLY A 113
GLY A 117
VAL A 137
LEU A 138
 SAH  A 300 (-3.8A)
SAH  A 300 (-3.2A)
SAH  A 300 (-3.6A)
SAH  A 300 ( 4.0A)
SAH  A 300 (-4.1A)
 0.69A 5o96G-1p9pA:
7.5
5o96H-1p9pA:
8.2		 5o96G-1p9pA:
22.49
5o96H-1p9pA:
22.49
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		5 GLY B 187
GLY B 169
VAL B 191
LEU B 190
THR B 147
 None
 0.91A 5o96G-1poiB:
undetectable
5o96H-1poiB:
undetectable		 5o96G-1poiB:
19.93
5o96H-1poiB:
19.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v6z HYPOTHETICAL PROTEIN
TTHA0657

(Thermus
thermophilus) 		PF04452
(Methyltrans_RNA) 		5 GLY A 181
GLY A 185
LEU A 204
LEU A 209
ALA A 214
 None
 0.45A 5o96G-1v6zA:
21.5
5o96H-1v6zA:
21.9		 5o96G-1v6zA:
34.00
5o96H-1v6zA:
34.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		6 GLY A 204
GLY A 208
LEU A 227
LEU A 232
THR A 234
ALA A 237
 None
 0.44A 5o96G-1vhkA:
20.4
5o96H-1vhkA:
20.7		 5o96G-1vhkA:
32.32
5o96H-1vhkA:
32.32
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.
1x1b CRTF-RELATED PROTEIN

(Chlorobaculum
tepidum) 		PF00891
(Methyltransf_2) 		5 LEU A 167
GLY A 169
LEU A 271
VAL A 336
ALA A 238
 None
 1.01A 5o96G-1x1bA:
undetectable
5o96H-1x1bA:
undetectable		 5o96G-1x1bA:
20.11
5o96H-1x1bA:
20.11
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.
1xsa BIS(5'-NUCLEOSYL)-TE
TRAPHOSPHATASE

(Homo sapiens) 		PF00293
(NUDIX) 		5 LEU A  34
GLY A  48
LEU A 112
THR A  64
ALA A  68
 None
 1.06A 5o96G-1xsaA:
undetectable
5o96H-1xsaA:
undetectable		 5o96G-1xsaA:
24.71
5o96H-1xsaA:
24.71
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.
2c2y METHYLENETETRAHYDROF
OLATE
DEHYDROGENASE-METHEN
YLTETRAHYDROFOLATE
CYCLOHYDROLASE

(Mycobacterium
tuberculosis) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 LEU A 177
PRO A 142
GLY A 175
GLY A 171
LEU A 138
 None
 1.01A 5o96G-2c2yA:
undetectable
5o96H-2c2yA:
2.4		 5o96G-2c2yA:
19.05
5o96H-2c2yA:
19.05
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.
2ca4 SULFITE:CYTOCHROME C
OXIDOREDUCTASE
SUBUNIT A

(Starkeya
novella) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 LEU A 201
GLY A 198
LEU A 184
VAL A 204
LEU A 203
 None
 1.05A 5o96G-2ca4A:
undetectable
5o96H-2ca4A:
undetectable		 5o96G-2ca4A:
24.00
5o96H-2ca4A:
24.00
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.
2cpw CBL-INTERACTING
PROTEIN STS-1
VARIANT

(Homo sapiens) 		PF00627
(UBA) 		5 LEU A  27
GLY A  30
LEU A  23
VAL A  48
ALA A  36
 None
 0.98A 5o96G-2cpwA:
undetectable
5o96H-2cpwA:
undetectable		 5o96G-2cpwA:
14.29
5o96H-2cpwA:
14.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2egw UPF0088 PROTEIN
AQ_165

(Aquifex
aeolicus) 		PF04452
(Methyltrans_RNA) 		7 LEU A 161
GLY A 185
GLY A 189
LEU A 208
LEU A 213
THR A 215
ALA A 218
 SAH  A 300 ( 3.7A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 4.0A)
SAH  A 300 ( 4.5A)
SAH  A 300 ( 3.6A)
 0.46A 5o96G-2egwA:
26.5
5o96H-2egwA:
22.9		 5o96G-2egwA:
31.23
5o96H-2egwA:
31.23
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.
2ffh PROTEIN (FFH)

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 LEU A 131
LEU A 185
LEU A 103
THR A 112
ALA A 115
 None
None
None
SO4  A 750 (-4.1A)
None
 0.90A 5o96G-2ffhA:
undetectable
5o96H-2ffhA:
undetectable		 5o96G-2ffhA:
21.69
5o96H-2ffhA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		5 LEU A 242
GLY A 229
GLY A 226
LEU A 178
ALA A 177
 None
 1.06A 5o96G-2fv0A:
undetectable
5o96H-2fv0A:
undetectable		 5o96G-2fv0A:
22.49
5o96H-2fv0A:
22.49
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.
2gdt LEADER PROTEIN
P65 HOMOLOG
NSP1 (EC 3.4.22.-)

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF11501
(Nsp1) 		5 LEU A  28
LEU A  77
VAL A  95
LEU A  96
ALA A  31
 None
 1.06A 5o96G-2gdtA:
undetectable
5o96H-2gdtA:
undetectable		 5o96G-2gdtA:
23.05
5o96H-2gdtA:
23.05
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.
2jan TYROSYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00579
(tRNA-synt_1b) 		5 ARG A 267
GLY A  13
VAL A 224
LEU A 223
ALA A 195
 None
 1.07A 5o96G-2janA:
undetectable
5o96H-2janA:
2.0		 5o96G-2janA:
21.66
5o96H-2janA:
21.66
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.
2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 LEU A 131
LEU A 185
LEU A 103
THR A 112
ALA A 115
 None
None
None
GDP  A 900 (-4.2A)
None
 0.89A 5o96G-2ng1A:
undetectable
5o96H-2ng1A:
undetectable		 5o96G-2ng1A:
22.88
5o96H-2ng1A:
22.88
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.
2nwq PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00106
(adh_short) 		5 LEU A  42
GLY A  33
LEU A  46
LEU A  29
ALA A  19
 None
SO4  A 254 (-3.4A)
None
None
None
 0.99A 5o96G-2nwqA:
3.2
5o96H-2nwqA:
3.3		 5o96G-2nwqA:
21.68
5o96H-2nwqA:
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.
2qgn TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Bacillus
halodurans) 		PF01715
(IPPT) 		6 LEU A  62
GLY A  34
GLY A 100
LEU A  80
VAL A  74
ALA A  81
 None
 1.49A 5o96G-2qgnA:
undetectable
5o96H-2qgnA:
undetectable		 5o96G-2qgnA:
19.02
5o96H-2qgnA:
19.02
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		5 LEU A 808
GLY A 814
GLY A 811
LEU A 818
VAL A 876
 None
 1.01A 5o96G-2x2iA:
undetectable
5o96H-2x2iA:
undetectable		 5o96G-2x2iA:
12.77
5o96H-2x2iA:
12.77
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.
2y5q INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 LEU A 125
GLY A 123
LEU A 116
LEU A 119
THR A 101
 None
 1.08A 5o96G-2y5qA:
undetectable
5o96H-2y5qA:
undetectable		 5o96G-2y5qA:
22.35
5o96H-2y5qA:
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.
2ykf PROBABLE SENSOR
HISTIDINE KINASE
PDTAS

(Mycobacterium
tuberculosis) 		PF12282
(H_kinase_N) 		5 GLY A 242
LEU A 263
VAL A 266
LEU A 265
ALA A 274
 None
 0.99A 5o96G-2ykfA:
undetectable
5o96H-2ykfA:
undetectable		 5o96G-2ykfA:
22.94
5o96H-2ykfA:
22.94
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.
2zbw THIOREDOXIN
REDUCTASE

(Thermus
thermophilus) 		PF07992
(Pyr_redox_2) 		5 LEU A  44
GLY A  42
LEU A  67
VAL A  72
LEU A  71
 None
FAD  A1002 (-3.2A)
None
None
None
 1.08A 5o96G-2zbwA:
undetectable
5o96H-2zbwA:
undetectable		 5o96G-2zbwA:
25.28
5o96H-2zbwA:
25.28
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.
2ztg ALANYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 LEU A 717
GLY A 715
GLY A 712
LEU A 606
ALA A 602
 None
 1.06A 5o96G-2ztgA:
undetectable
5o96H-2ztgA:
undetectable		 5o96G-2ztgA:
15.06
5o96H-2ztgA:
15.06
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.
3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350

(Thermus
thermophilus) 		PF00582
(Usp) 		5 LEU A 115
GLY A  15
LEU A 113
THR A   7
ALA A   6
 LEU  A 115 ( 0.6A)
GLY  A  15 ( 0.0A)
LEU  A 113 ( 0.6A)
THR  A   7 ( 0.8A)
ALA  A   6 ( 0.0A)
 1.08A 5o96G-3ab7A:
undetectable
5o96H-3ab7A:
2.0		 5o96G-3ab7A:
26.04
5o96H-3ab7A:
26.04
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.
3c75 METHYLAMINE
DEHYDROGENASE HEAVY
CHAIN

(Paracoccus
versutus) 		PF06433
(Me-amine-dh_H) 		5 LEU H 207
GLY H 209
LEU H 191
VAL H 204
THR H 211
 None
 0.97A 5o96G-3c75H:
undetectable
5o96H-3c75H:
undetectable		 5o96G-3c75H:
19.95
5o96H-3c75H:
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.
3cny INOSITOL CATABOLISM
PROTEIN IOLE

(Lactobacillus
plantarum) 		PF01261
(AP_endonuc_2) 		5 LEU A 251
GLY A 249
GLY A 247
VAL A 271
THR A 244
 None
 0.98A 5o96G-3cnyA:
undetectable
5o96H-3cnyA:
undetectable		 5o96G-3cnyA:
23.28
5o96H-3cnyA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2u RAVER-1

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU B 193
GLY B 195
LEU B 151
LEU B 198
THR B 202
 None
 1.05A 5o96G-3h2uB:
undetectable
5o96H-3h2uB:
undetectable		 5o96G-3h2uB:
21.86
5o96H-3h2uB:
21.86
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.
3hn2 2-DEHYDROPANTOATE
2-REDUCTASE

(Geobacter
metallireducens) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 LEU A  75
GLY A   9
GLY A  12
LEU A  86
LEU A  29
 None
 1.00A 5o96G-3hn2A:
undetectable
5o96H-3hn2A:
undetectable		 5o96G-3hn2A:
24.93
5o96H-3hn2A:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrp UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		6 PRO A 403
GLY A 365
VAL A 360
LEU A 368
THR A 380
ALA A 382
 None
 1.43A 5o96G-3hrpA:
undetectable
5o96H-3hrpA:
undetectable		 5o96G-3hrpA:
20.05
5o96H-3hrpA:
20.05
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.
3i16 ALUMINUM RESISTANCE
PROTEIN

(Clostridium
novyi) 		PF06838
(Met_gamma_lyase) 		5 LEU A 143
GLY A 114
LEU A 107
LEU A 178
THR A 116
 None
 1.05A 5o96G-3i16A:
undetectable
5o96H-3i16A:
undetectable		 5o96G-3i16A:
19.48
5o96H-3i16A:
19.48
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.
3i4j AMINOTRANSFERASE,
CLASS III

(Deinococcus
radiodurans) 		PF00202
(Aminotran_3) 		5 LEU A 352
GLY A 350
GLY A 326
LEU A 402
ALA A 206
 None
 1.08A 5o96G-3i4jA:
undetectable
5o96H-3i4jA:
undetectable		 5o96G-3i4jA:
21.76
5o96H-3i4jA:
21.76
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.
3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC

(Carboxydothermus
hydrogenoformans) 		PF01656
(CbiA) 		5 LEU A  46
GLY A 228
LEU A  42
VAL A  11
ALA A  18
 None
 1.07A 5o96G-3kjeA:
2.3
5o96H-3kjeA:
undetectable		 5o96G-3kjeA:
24.67
5o96H-3kjeA:
24.67
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.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF16114
(Citrate_bind) 		5 LEU A 368
GLY A 335
LEU A 324
LEU A 338
THR A 374
 None
 1.04A 5o96G-3mweA:
3.3
5o96H-3mweA:
3.6		 5o96G-3mweA:
19.53
5o96H-3mweA:
19.53
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.
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus) 		PF01746
(tRNA_m1G_MT) 		5 PRO A  85
GLY A 109
GLY A 113
VAL A 137
LEU A 138
 EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
EDO  A 243 (-4.0A)
 0.92A 5o96G-3quvA:
8.3
5o96H-3quvA:
8.9		 5o96G-3quvA:
23.19
5o96H-3quvA:
23.19
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.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		5 LEU A  65
GLY A  67
GLY A  69
LEU A  80
ALA A  76
 None
 1.03A 5o96G-3wx7A:
2.9
5o96H-3wx7A:
2.8		 5o96G-3wx7A:
19.04
5o96H-3wx7A:
19.04
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 LEU A 568
GLY A 566
GLY A 563
VAL A 490
ALA A 571
 None
None
None
RDF  A1665 ( 4.3A)
None
 1.08A 5o96G-3zukA:
undetectable
5o96H-3zukA:
undetectable		 5o96G-3zukA:
19.17
5o96H-3zukA:
19.17
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.
4cil YOPM-CAP, INTERNALIN
B

(Yersinia
enterocolitica;
Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12468
(TTSSLRR)
PF12799
(LRR_4) 		5 LEU A 125
GLY A 123
LEU A 116
LEU A 119
THR A 101
 None
 1.07A 5o96G-4cilA:
undetectable
5o96H-4cilA:
undetectable		 5o96G-4cilA:
23.08
5o96H-4cilA:
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.
4cng SPOU RRNA METHYLASE

(Sulfolobus
acidocaldarius) 		PF00588
(SpoU_methylase) 		5 GLY A 111
GLY A 116
VAL A 139
LEU A 140
ALA A 145
 SAH  A1157 (-3.1A)
SAH  A1157 ( 3.2A)
SAH  A1157 ( 4.3A)
SAH  A1157 (-3.8A)
SAH  A1157 ( 3.7A)
 0.55A 5o96G-4cngA:
13.1
5o96H-4cngA:
14.2		 5o96G-4cngA:
24.10
5o96H-4cngA:
24.10
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.
4dw1 P2X PURINOCEPTOR

(Danio rerio) 		PF00864
(P2X_receptor) 		5 LEU A 182
PRO A 180
GLY A 319
GLY A 253
ALA A 185
 None
 1.03A 5o96G-4dw1A:
undetectable
5o96H-4dw1A:
undetectable		 5o96G-4dw1A:
23.19
5o96H-4dw1A:
23.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e8b RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Escherichia
coli) 		PF04452
(Methyltrans_RNA) 		5 LEU A 171
GLY A 194
GLY A 198
LEU A 217
LEU A 222
 None
 0.94A 5o96G-4e8bA:
31.7
5o96H-4e8bA:
30.9		 5o96G-4e8bA:
48.39
5o96H-4e8bA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e8b RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Escherichia
coli) 		PF04452
(Methyltrans_RNA) 		5 LEU A 171
LEU A 217
VAL A 221
LEU A 222
THR A 224
 None
 0.69A 5o96G-4e8bA:
31.7
5o96H-4e8bA:
30.9		 5o96G-4e8bA:
48.39
5o96H-4e8bA:
48.39
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.
4ecf ABC-TYPE PHOSPHATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Lactobacillus
brevis) 		PF12849
(PBP_like_2) 		5 GLY A  68
GLY A  67
LEU A  89
LEU A  74
THR A  72
 None
 1.04A 5o96G-4ecfA:
undetectable
5o96H-4ecfA:
undetectable		 5o96G-4ecfA:
22.68
5o96H-4ecfA:
22.68
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.
4es6 UROPORPHYRINOGEN-III
SYNTHASE

(Pseudomonas
aeruginosa) 		PF02602
(HEM4) 		5 LEU A 197
GLY A 193
GLY A 191
LEU A 186
VAL A 215
 None
 1.03A 5o96G-4es6A:
2.6
5o96H-4es6A:
2.4		 5o96G-4es6A:
22.38
5o96H-4es6A:
22.38
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.
4f4o HAPTOGLOBIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 LEU C 139
GLY C 297
GLY C 129
LEU C 190
THR C 141
 None
 0.97A 5o96G-4f4oC:
undetectable
5o96H-4f4oC:
undetectable		 5o96G-4f4oC:
21.47
5o96H-4f4oC:
21.47
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.
4fo0 ACTIN-RELATED
PROTEIN 8

(Homo sapiens) 		PF00022
(Actin) 		5 ARG A  77
LEU A 191
PRO A 185
GLY A 198
THR A 202
 None
 1.04A 5o96G-4fo0A:
undetectable
5o96H-4fo0A:
undetectable		 5o96G-4fo0A:
19.46
5o96H-4fo0A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		5 LEU A 248
GLY A 250
GLY A 292
LEU A 333
VAL A 328
 None
 1.05A 5o96G-4h0pA:
undetectable
5o96H-4h0pA:
undetectable		 5o96G-4h0pA:
19.82
5o96H-4h0pA:
19.82
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.
4h3z TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Paraburkholderia
phymatum) 		PF01746
(tRNA_m1G_MT) 		5 PRO A  93
GLY A 117
LEU A 137
VAL A 141
LEU A 142
 SAH  A 301 (-3.7A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.6A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.3A)
 0.67A 5o96G-4h3zA:
6.7
5o96H-4h3zA:
6.7		 5o96G-4h3zA:
21.43
5o96H-4h3zA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		6 GLY B 170
GLY B 304
LEU B 177
LEU B 251
THR B 253
ALA B 252
 None
 1.45A 5o96G-4hdsB:
3.2
5o96H-4hdsB:
2.1		 5o96G-4hdsB:
19.59
5o96H-4hdsB:
19.59
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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 LEU B 177
GLY B 175
GLY B 173
LEU B 251
ALA B 180
 None
 0.90A 5o96G-4hdsB:
3.2
5o96H-4hdsB:
2.1		 5o96G-4hdsB:
19.59
5o96H-4hdsB:
19.59
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.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		5 PRO B 469
GLY B 286
GLY B 457
VAL B 472
THR B 493
 None
 0.98A 5o96G-4i0wB:
2.9
5o96H-4i0wB:
3.1		 5o96G-4i0wB:
20.37
5o96H-4i0wB:
20.37
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.
4ilt INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Streptomyces
sp. SirexAA-E) 		PF00775
(Dioxygenase_C) 		5 ARG A 219
LEU A 159
GLY A 221
LEU A  98
VAL A 163
 None
 1.07A 5o96G-4iltA:
undetectable
5o96H-4iltA:
undetectable		 5o96G-4iltA:
19.50
5o96H-4iltA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j3c RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Sinorhizobium
meliloti) 		PF04452
(Methyltrans_RNA) 		5 GLY A 195
GLY A 199
LEU A 219
LEU A 224
ALA A 229
 None
 0.53A 5o96G-4j3cA:
18.0
5o96H-4j3cA:
18.6		 5o96G-4j3cA:
31.27
5o96H-4j3cA:
31.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwj TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01746
(tRNA_m1G_MT) 		5 GLY A 206
LEU A 232
VAL A 245
LEU A 246
THR A 248
 SAH  A 302 (-3.1A)
SAH  A 302 (-3.8A)
SAH  A 302 ( 3.9A)
SAH  A 302 (-4.2A)
SAH  A 302 ( 4.4A)
 0.73A 5o96G-4jwjA:
8.8
5o96H-4jwjA:
9.3		 5o96G-4jwjA:
20.80
5o96H-4jwjA:
20.80
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.
4jwj TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 186
GLY A 206
LEU A 232
VAL A 245
THR A 248
 SAH  A 302 (-4.2A)
SAH  A 302 (-3.1A)
SAH  A 302 (-3.8A)
SAH  A 302 ( 3.9A)
SAH  A 302 ( 4.4A)
 0.82A 5o96G-4jwjA:
8.8
5o96H-4jwjA:
9.3		 5o96G-4jwjA:
20.80
5o96H-4jwjA:
20.80
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 LEU A 449
GLY A 447
GLY A 445
LEU A 403
ALA A 428
 None
 0.95A 5o96G-4kh3A:
undetectable
5o96H-4kh3A:
undetectable		 5o96G-4kh3A:
19.17
5o96H-4kh3A:
19.17
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.
4kjz TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N)
PF11987
(IF-2) 		5 GLY A 383
GLY A 200
LEU A 377
THR A 381
ALA A 379
 None
 0.94A 5o96G-4kjzA:
5.6
5o96H-4kjzA:
5.8		 5o96G-4kjzA:
21.79
5o96H-4kjzA:
21.79
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.
4l69 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Mycobacterium
tuberculosis) 		PF04452
(Methyltrans_RNA) 		7 LEU A 175
GLY A 199
GLY A 203
LEU A 222
VAL A 226
THR A 229
ALA A 232
 None
 0.74A 5o96G-4l69A:
27.3
5o96H-4l69A:
22.8		 5o96G-4l69A:
29.77
5o96H-4l69A:
29.77
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.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		5 LEU A  69
GLY A  71
GLY A  73
LEU A  84
ALA A  80
 None
 1.06A 5o96G-4nz5A:
undetectable
5o96H-4nz5A:
3.0		 5o96G-4nz5A:
17.63
5o96H-4nz5A:
17.63
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.
4qhr ALANINE RACEMASE

(Acinetobacter
baumannii) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 PRO A 351
GLY A 272
GLY A 276
VAL A   6
ALA A 238
 None
 0.83A 5o96G-4qhrA:
undetectable
5o96H-4qhrA:
undetectable		 5o96G-4qhrA:
22.01
5o96H-4qhrA:
22.01
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.
4r6g LEUCINE RICH REPEATS
DLRR_K

(synthetic
construct) 		PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		6 LEU A 418
GLY A 421
LEU A 446
LEU A 452
THR A 450
ALA A 449
 None
 1.43A 5o96G-4r6gA:
undetectable
5o96H-4r6gA:
undetectable		 5o96G-4r6gA:
19.78
5o96H-4r6gA:
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.
4rmf ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycolicibacterium
smegmatis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 LEU A 394
GLY A 338
GLY A 435
LEU A 342
ALA A 334
 None
 1.08A 5o96G-4rmfA:
undetectable
5o96H-4rmfA:
undetectable		 5o96G-4rmfA:
17.21
5o96H-4rmfA:
17.21
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.
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica) 		PF13407
(Peripla_BP_4) 		5 LEU A 111
GLY A 288
VAL A 276
LEU A 273
THR A 271
 None
 1.02A 5o96G-4rxmA:
undetectable
5o96H-4rxmA:
2.9		 5o96G-4rxmA:
21.07
5o96H-4rxmA:
21.07
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 GLY A 153
VAL A 157
LEU A 156
THR A  81
ALA A  79
 None
 0.76A 5o96G-4uy6A:
undetectable
5o96H-4uy6A:
3.7		 5o96G-4uy6A:
21.01
5o96H-4uy6A:
21.01
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.
4wjg HAPTOGLOBIN

(Homo sapiens) 		no annotation 5 LEU C 194
GLY C 352
GLY C 184
LEU C 245
THR C 196
 None
 1.01A 5o96G-4wjgC:
undetectable
5o96H-4wjgC:
undetectable		 5o96G-4wjgC:
21.74
5o96H-4wjgC:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 PRO A 300
GLY A 248
GLY A 246
LEU A  42
ALA A 253
 None
ANP  A 401 (-3.4A)
ANP  A 401 (-3.3A)
None
None
 1.00A 5o96G-4wjmA:
3.2
5o96H-4wjmA:
3.8		 5o96G-4wjmA:
25.49
5o96H-4wjmA:
25.49
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.
4x0l HAPTOGLOBIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU C 198
GLY C 356
GLY C 188
LEU C 249
THR C 200
 None
 0.93A 5o96G-4x0lC:
undetectable
5o96H-4x0lC:
undetectable		 5o96G-4x0lC:
22.18
5o96H-4x0lC:
22.18
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.
4xrt STFQ
AROMATASE/CYCLASE

(Streptomyces
steffisburgensis) 		PF03364
(Polyketide_cyc) 		5 LEU A  21
VAL A  26
LEU A  25
THR A 139
ALA A 142
 None
 1.05A 5o96G-4xrtA:
undetectable
5o96H-4xrtA:
undetectable		 5o96G-4xrtA:
21.94
5o96H-4xrtA:
21.94
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.
5apg TSR3

(Vulcanisaeta
distributa) 		PF04034
(Ribo_biogen_C) 		5 LEU A  45
PRO A  47
LEU A  93
LEU A 110
ALA A 115
 EEM  A1185 (-3.9A)
EEM  A1185 (-3.9A)
EEM  A1185 (-3.9A)
EEM  A1185 (-4.1A)
EEM  A1185 (-3.4A)
 0.72A 5o96G-5apgA:
4.8
5o96H-5apgA:
5.3		 5o96G-5apgA:
21.51
5o96H-5apgA:
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.
5apg TSR3

(Vulcanisaeta
distributa) 		PF04034
(Ribo_biogen_C) 		5 LEU A  45
PRO A  47
LEU A 110
THR A 112
ALA A 115
 EEM  A1185 (-3.9A)
EEM  A1185 (-3.9A)
EEM  A1185 (-4.1A)
EEM  A1185 (-3.9A)
EEM  A1185 (-3.4A)
 0.72A 5o96G-5apgA:
4.8
5o96H-5apgA:
5.3		 5o96G-5apgA:
21.51
5o96H-5apgA:
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.
5c77 PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1

(Saccharomyces
cerevisiae) 		PF04252
(RNA_Me_trans) 		5 LEU A  83
PRO A  85
GLY A 105
GLY A 106
LEU A 133
 SAH  A 301 (-4.5A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.2A)
SAH  A 301 (-4.0A)
 0.91A 5o96G-5c77A:
8.3
5o96H-5c77A:
8.8		 5o96G-5c77A:
20.87
5o96H-5c77A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c77 PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1

(Saccharomyces
cerevisiae) 		PF04252
(RNA_Me_trans) 		6 LEU A  83
PRO A  85
GLY A 106
LEU A 133
THR A 140
ALA A 143
 SAH  A 301 (-4.5A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.2A)
SAH  A 301 (-4.0A)
SAH  A 301 (-4.0A)
SAH  A 301 ( 4.0A)
 0.88A 5o96G-5c77A:
8.3
5o96H-5c77A:
8.8		 5o96G-5c77A:
20.87
5o96H-5c77A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czl GLUCANASE

(Raoultella
ornithinolytica) 		PF01270
(Glyco_hydro_8) 		5 LEU A 243
PRO A 230
VAL A 281
LEU A 284
THR A 286
 None
 1.01A 5o96G-5czlA:
undetectable
5o96H-5czlA:
undetectable		 5o96G-5czlA:
21.55
5o96H-5czlA:
21.55
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.
5hxk ZINC-DEPENDENT
PEPTIDASE

(Thermus
thermophilus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ARG A 175
GLY A  39
LEU A  46
LEU A 169
ALA A 164
 ARG  A 175 ( 0.6A)
GLY  A  39 ( 0.0A)
LEU  A  46 ( 0.6A)
LEU  A 169 ( 0.6A)
ALA  A 164 ( 0.0A)
 1.07A 5o96G-5hxkA:
undetectable
5o96H-5hxkA:
undetectable		 5o96G-5hxkA:
21.39
5o96H-5hxkA:
21.39
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.
5i7k BPI FOLD-CONTAINING
FAMILY A MEMBER 1

(Homo sapiens) 		PF01273
(LBP_BPI_CETP) 		5 LEU A  51
GLY A  49
GLY A  46
LEU A 234
ALA A  54
 None
 1.08A 5o96G-5i7kA:
undetectable
5o96H-5i7kA:
undetectable		 5o96G-5i7kA:
19.64
5o96H-5i7kA:
19.64
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.
5ltv CHEMOTACTIC
TRANSDUCER PCTC

(Pseudomonas
aeruginosa) 		PF02743
(dCache_1) 		5 LEU A  71
GLY A 175
LEU A  75
VAL A 172
LEU A 104
 None
 1.07A 5o96G-5ltvA:
undetectable
5o96H-5ltvA:
undetectable		 5o96G-5ltvA:
22.65
5o96H-5ltvA:
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.
5mqx NON-STRUCTURAL
PROTEIN3

(Venezuelan
equine
encephalitis
virus) 		no annotation 5 LEU A 109
PRO A  71
GLY A  81
VAL A  52
ALA A  88
 None
 0.97A 5o96G-5mqxA:
2.3
5o96H-5mqxA:
2.7		 5o96G-5mqxA:
undetectable
5o96H-5mqxA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 5 GLY A 199
VAL A 223
LEU A 224
THR A 226
ALA A 229
 None
SAM  A 501 (-4.4A)
SAM  A 501 (-4.5A)
SAM  A 501 (-3.7A)
SAM  A 501 (-3.3A)
 0.73A 5o96G-5o96A:
38.0
5o96H-5o96A:
37.1		 5o96G-5o96A:
100.00
5o96H-5o96A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 8 LEU A 173
GLY A 196
GLY A 200
LEU A 219
VAL A 223
LEU A 224
THR A 226
ALA A 229
 SAM  A 501 (-4.2A)
SAM  A 501 (-4.1A)
SAM  A 501 (-2.9A)
SAM  A 501 (-4.9A)
SAM  A 501 (-4.4A)
SAM  A 501 (-4.5A)
SAM  A 501 (-3.7A)
SAM  A 501 (-3.3A)
 0.65A 5o96G-5o96A:
38.0
5o96H-5o96A:
37.1		 5o96G-5o96A:
100.00
5o96H-5o96A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 5 LEU A 173
PRO A 175
GLY A 196
GLY A 200
LEU A 219
 SAM  A 501 (-4.2A)
SAM  A 501 (-3.4A)
SAM  A 501 (-4.1A)
SAM  A 501 (-2.9A)
SAM  A 501 (-4.9A)
 1.08A 5o96G-5o96A:
38.0
5o96H-5o96A:
37.1		 5o96G-5o96A:
100.00
5o96H-5o96A:
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 5 GLY B  72
LEU B  67
VAL B 199
LEU B 198
THR B 119
 ATP  B 702 ( 4.5A)
None
None
None
None
 0.90A 5o96G-5ofbB:
undetectable
5o96H-5ofbB:
undetectable		 5o96G-5ofbB:
undetectable
5o96H-5ofbB:
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.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		5 LEU A 368
GLY A 335
LEU A 324
LEU A 338
THR A 374
 None
 1.04A 5o96G-5te1A:
3.0
5o96H-5te1A:
4.0		 5o96G-5te1A:
14.78
5o96H-5te1A:
14.78
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.
5ttk AMINE OXIDASE

(Pseudomonas
putida) 		PF01593
(Amino_oxidase) 		5 GLY A  65
GLY A  60
VAL A 304
LEU A 449
ALA A 473
 None
FAD  A 501 (-3.1A)
None
None
None
 1.04A 5o96G-5ttkA:
undetectable
5o96H-5ttkA:
undetectable		 5o96G-5ttkA:
20.51
5o96H-5ttkA:
20.51
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.
5v52 T-CELL
IMMUNORECEPTOR WITH
IG AND ITIM DOMAINS

(Homo sapiens) 		PF07686
(V-set) 		5 LEU A  93
GLY A  88
GLY A  90
VAL A  57
ALA A  67
 None
 1.06A 5o96G-5v52A:
undetectable
5o96H-5v52A:
undetectable		 5o96G-5v52A:
20.08
5o96H-5v52A:
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.
5wyr TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Pseudomonas
aeruginosa) 		no annotation 5 PRO A  94
GLY A 118
GLY A 122
VAL A 142
LEU A 143
 SFG  A 400 (-3.7A)
SFG  A 400 (-3.4A)
SFG  A 400 (-3.6A)
SFG  A 400 ( 4.1A)
SFG  A 400 (-4.2A)
 0.63A 5o96G-5wyrA:
6.7
5o96H-5wyrA:
7.0		 5o96G-5wyrA:
undetectable
5o96H-5wyrA:
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.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 5 LEU A  91
GLY A  89
GLY A  29
LEU A  17
ALA A  94
 None
 1.05A 5o96G-6c0dA:
undetectable
5o96H-6c0dA:
undetectable		 5o96G-6c0dA:
undetectable
5o96H-6c0dA:
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.
6d0p PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 LEU A 208
GLY A 222
LEU A 246
VAL A 205
THR A 224
 None
 1.02A 5o96G-6d0pA:
undetectable
5o96H-6d0pA:
undetectable		 5o96G-6d0pA:
undetectable
5o96H-6d0pA:
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 GLY L 516
GLY L 507
VAL L 377
THR L 374
ALA L 279
 None
 1.06A 5o96G-6ehsL:
undetectable
5o96H-6ehsL:
undetectable		 5o96G-6ehsL:
undetectable
5o96H-6ehsL:
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 5 GLY A1694
GLY A1205
LEU A1707
VAL A1698
LEU A1697
 None
 0.89A 5o96G-6fb3A:
undetectable
5o96H-6fb3A:
undetectable		 5o96G-6fb3A:
undetectable
5o96H-6fb3A:
undetectable