SIMILAR PATTERNS OF AMINO ACIDS FOR 4E3H_A_HQEA303_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gl6 ATPASE

(Escherichia
coli) 		PF10412
(TrwB_AAD_bind) 		5 VAL A 411
LEU A 126
VAL A 128
LEU A 143
VAL A 382
 None
 1.05A 4e3hA-1gl6A:
undetectable		 4e3hA-1gl6A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyq CELL DIVISION
INHIBITOR (MIND-1)

(Archaeoglobus
fulgidus) 		PF01656
(CbiA) 		5 VAL A 168
LEU A 137
VAL A 139
LEU A  23
VAL A   7
 None
 0.78A 4e3hA-1hyqA:
undetectable		 4e3hA-1hyqA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		5 VAL A 119
LEU A  99
VAL A 101
VAL A  15
TRP A  17
 None
 0.58A 4e3hA-1j3bA:
undetectable		 4e3hA-1j3bA:
19.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 GLN A  92
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
VAL A 207
TRP A 209
 AZM  A1400 (-3.2A)
AZM  A1400 (-4.6A)
None
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
None
 0.43A 4e3hA-1jd0A:
36.4		 4e3hA-1jd0A:
36.57
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.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLN A 309
VAL A 304
LEU A 321
VAL A 323
VAL A 361
 None
 0.96A 4e3hA-1jr1A:
undetectable		 4e3hA-1jr1A:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		8 GLN A  90
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
VAL A 185
TRP A 187
 None
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
None
 0.52A 4e3hA-1kopA:
29.5		 4e3hA-1kopA:
33.83
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.
1nyo IMMUNOGENIC PROTEIN
MPT70

(Mycobacterium
tuberculosis) 		PF02469
(Fasciclin) 		5 VAL A 126
LEU A 133
VAL A 135
THR A  67
VAL A 140
 None
 0.96A 4e3hA-1nyoA:
undetectable		 4e3hA-1nyoA:
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.
1nyo IMMUNOGENIC PROTEIN
MPT70

(Mycobacterium
tuberculosis) 		PF02469
(Fasciclin) 		5 VAL A 126
LEU A 133
VAL A 135
THR A 151
VAL A 140
 None
 1.07A 4e3hA-1nyoA:
undetectable		 4e3hA-1nyoA:
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.
1px5 2'-5'-OLIGOADENYLATE
SYNTHETASE 1

(Sus scrofa) 		PF01909
(NTP_transf_2)
PF10421
(OAS1_C) 		5 VAL A  57
LEU A  77
VAL A  79
LEU A 105
VAL A 148
 YCM  A  37 ( 4.3A)
None
None
None
None
 0.93A 4e3hA-1px5A:
undetectable		 4e3hA-1px5A:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		9 GLN A  92
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
VAL A 207
TRP A 209
 AZM  A 400 (-4.3A)
AZM  A 400 (-4.8A)
None
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
None
 0.41A 4e3hA-1rj6A:
37.0		 4e3hA-1rj6A:
37.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1si1 IRON BINDING PROTEIN
FBPA

(Mannheimia
haemolytica) 		PF13343
(SBP_bac_6) 		5 VAL A   6
LEU A  56
VAL A  54
LEU A 253
VAL A 234
 None
 0.86A 4e3hA-1si1A:
undetectable		 4e3hA-1si1A:
22.66
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.
1t0i YLR011WP

(Saccharomyces
cerevisiae) 		PF03358
(FMN_red) 		5 VAL A 151
LEU A 120
VAL A 122
THR A  26
VAL A  89
 None
 0.89A 4e3hA-1t0iA:
undetectable		 4e3hA-1t0iA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		9 GLN A  92
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
VAL A 207
TRP A 209
 None
None
None
None
None
ZN  A 280 ( 4.9A)
None
None
None
 0.40A 4e3hA-1urtA:
36.8		 4e3hA-1urtA:
51.13
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.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		5 PHE A 162
LEU A  79
VAL A  77
LEU A 105
VAL A  18
 None
 0.92A 4e3hA-1wkrA:
undetectable		 4e3hA-1wkrA:
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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 VAL A 198
PHE A 185
LEU A 227
VAL A 229
VAL A 247
 None
 0.97A 4e3hA-1xpgA:
undetectable		 4e3hA-1xpgA:
16.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		9 GLN A 113
VAL A 137
LEU A 151
VAL A 153
LEU A 216
THR A 217
THR A 218
VAL A 225
TRP A 227
 None
ACY  A 279 ( 4.7A)
None
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
None
 0.26A 4e3hA-1y7wA:
26.3		 4e3hA-1y7wA:
32.05
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 VAL A 322
LEU A 336
VAL A 334
LEU A 280
VAL A 347
 None
 1.03A 4e3hA-2b5mA:
undetectable		 4e3hA-2b5mA:
12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 VAL A 456
PHE A 292
LEU A 482
THR A 479
THR A 478
 None
None
None
FAD  A 750 (-3.1A)
FAD  A 750 (-3.4A)
 1.01A 4e3hA-2bf4A:
undetectable		 4e3hA-2bf4A:
18.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
LEU A 141
VAL A 143
LEU A 198
THR A 199
VAL A 207
TRP A 209
 None
None
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
None
 0.58A 4e3hA-2it4A:
40.7		 4e3hA-2it4A:
60.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 PHE A  91
LEU A 141
LEU A 198
THR A 199
VAL A 207
TRP A 209
 None
None
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
None
 1.07A 4e3hA-2it4A:
40.7		 4e3hA-2it4A:
60.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 VAL A 143
PHE A  91
LEU A 141
LEU A 198
THR A 199
 PPF  A 500 (-4.9A)
None
None
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
 1.02A 4e3hA-2it4A:
40.7		 4e3hA-2it4A:
60.55
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 PHE A 296
LEU A 305
VAL A 310
LEU A 762
THR A 763
 None
 0.92A 4e3hA-2iujA:
undetectable		 4e3hA-2iujA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lna AFG3-LIKE PROTEIN 2

(Homo sapiens) 		PF06480
(FtsH_ext) 		6 VAL A  44
PHE A  23
LEU A  36
VAL A  38
LEU A  74
VAL A  91
 None
 1.14A 4e3hA-2lnaA:
undetectable		 4e3hA-2lnaA:
16.17
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.
2oz6 VIRULENCE FACTOR
REGULATOR

(Pseudomonas
aeruginosa) 		PF00027
(cNMP_binding)
PF00325
(Crp) 		5 VAL A 188
LEU A 192
VAL A 191
LEU A 152
THR A 151
 None
 0.97A 4e3hA-2oz6A:
undetectable		 4e3hA-2oz6A:
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.
2pej ORF134

(Synechococcus
sp. PCC 7002) 		PF02341
(RcbX) 		5 LEU A  86
VAL A  90
LEU A  14
THR A  10
THR A  13
 None
 1.06A 4e3hA-2pejA:
undetectable		 4e3hA-2pejA:
24.02
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.
2pej ORF134

(Synechococcus
sp. PCC 7002) 		PF02341
(RcbX) 		5 VAL A  90
LEU A  86
LEU A  14
THR A  10
THR A  13
 None
 1.03A 4e3hA-2pejA:
undetectable		 4e3hA-2pejA:
24.02
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.
2wvw RBCX PROTEIN

(Anabaena sp. CA
= ATCC 33047) 		PF02341
(RcbX) 		5 LEU I  85
VAL I  89
LEU I  14
THR I  10
THR I  13
 None
 0.84A 4e3hA-2wvwI:
undetectable		 4e3hA-2wvwI:
24.14
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.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 GLN A 552
VAL A 562
LEU A 535
VAL A 533
VAL A 589
 None
 0.98A 4e3hA-2xf2A:
undetectable		 4e3hA-2xf2A:
16.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		8 GLN A  92
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
VAL A 207
TRP A 209
 None
None
None
None
ZN  A   1 ( 4.7A)
None
None
None
 0.33A 4e3hA-2zncA:
32.0		 4e3hA-2zncA:
35.56
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 LEU A 255
VAL A 257
LEU A 236
THR A 235
VAL A 270
 None
 0.99A 4e3hA-3azqA:
undetectable		 4e3hA-3azqA:
16.17
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		7 GLN A 161
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270
 None
None
None
None
ZN  A 378 ( 4.5A)
None
None
 0.24A 4e3hA-3b1bA:
25.3		 4e3hA-3b1bA:
25.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLN A  93
PHE A 132
LEU A 142
LEU A 199
VAL A 208
 4MD  A 401 (-3.1A)
4MD  A 401 (-4.6A)
None
4MD  A 401 (-4.2A)
None
 1.02A 4e3hA-3da2A:
42.2		 4e3hA-3da2A:
60.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 VAL A 122
PHE A 132
LEU A 142
VAL A 144
LEU A 199
THR A 200
VAL A 208
TRP A 210
 4MD  A 401 ( 4.6A)
4MD  A 401 (-4.6A)
None
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
None
None
 0.35A 4e3hA-3da2A:
42.2		 4e3hA-3da2A:
60.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dqz ALPHA-HYDROXYNITRILE
LYASE-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 VAL A  78
LEU A 104
VAL A 102
LEU A 246
VAL A 203
 None
 1.01A 4e3hA-3dqzA:
undetectable		 4e3hA-3dqzA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 GLN A 109
VAL A 140
LEU A 159
VAL A 161
LEU A 219
THR A 220
VAL A 228
TRP A 230
 None
 0.58A 4e3hA-3fe4A:
31.1		 4e3hA-3fe4A:
34.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 LEU A 159
LEU A 219
THR A 220
THR A 221
VAL A 228
TRP A 230
 None
 0.55A 4e3hA-3fe4A:
31.1		 4e3hA-3fe4A:
34.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fg9 PROTEIN OF UNIVERSAL
STRESS PROTEIN USPA
FAMILY

(Lactobacillus
plantarum) 		PF00582
(Usp) 		5 LEU A 119
VAL A 121
LEU A  37
THR A  35
THR A  36
 None
 1.04A 4e3hA-3fg9A:
undetectable		 4e3hA-3fg9A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fmf DETHIOBIOTIN
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF13500
(AAA_26) 		5 VAL A 167
LEU A 136
VAL A 138
LEU A  22
VAL A   6
 None
 1.02A 4e3hA-3fmfA:
undetectable		 4e3hA-3fmfA:
21.88
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.
3gzg PERMEASE
MOLYBDATE-BINDING
PERIPLASMIC PROTEIN

(Xanthomonas
citri) 		PF13531
(SBP_bac_11) 		5 VAL A   7
LEU A  56
VAL A  54
LEU A 216
VAL A 198
 None
 0.91A 4e3hA-3gzgA:
undetectable		 4e3hA-3gzgA:
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.
3jv3 INTERSECTIN-1

(Mus musculus) 		PF00621
(RhoGEF)
PF14604
(SH3_9) 		5 VAL A1177
LEU A1204
THR A1205
THR A1206
VAL A1202
 None
 0.93A 4e3hA-3jv3A:
undetectable		 4e3hA-3jv3A:
23.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 LEU A 176
LEU A 235
THR A 236
VAL A 244
TRP A 246
 None
 0.50A 4e3hA-3jxfA:
33.5		 4e3hA-3jxfA:
30.07
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.
3lx2 DNA POLYMERASE
SLIDING CLAMP 2

(Thermococcus
kodakarensis) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 PHE A  29
LEU A  51
VAL A  49
LEU A  16
VAL A 240
 None
 1.05A 4e3hA-3lx2A:
undetectable		 4e3hA-3lx2A:
22.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
VAL A 121
PHE A 131
LEU A 141
LEU A 198
THR A 199
 AZM  A 264 (-4.1A)
AZM  A 264 (-4.7A)
AZM  A 264 (-4.4A)
None
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
 1.24A 4e3hA-3ml5A:
43.2		 4e3hA-3ml5A:
55.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		10 GLN A  92
VAL A 121
PHE A 131
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
VAL A 207
TRP A 209
 AZM  A 264 (-4.1A)
AZM  A 264 (-4.7A)
AZM  A 264 (-4.4A)
None
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
None
 0.38A 4e3hA-3ml5A:
43.2		 4e3hA-3ml5A:
55.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3puk SYNTAXIN-BINDING
PROTEIN 3

(Mus musculus) 		PF00995
(Sec1) 		5 PHE A  23
LEU A  54
LEU A  45
THR A  42
THR A  41
 None
 1.01A 4e3hA-3pukA:
undetectable		 4e3hA-3pukA:
19.43
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.
3q1t ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 VAL A  65
PHE A  72
LEU A  31
VAL A  29
LEU A  47
 None
 1.07A 4e3hA-3q1tA:
undetectable		 4e3hA-3q1tA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		8 GLN A 121
VAL A 144
VAL A 154
LEU A 214
THR A 215
THR A 216
VAL A 223
TRP A 225
 MLT  A   3 (-3.9A)
None
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
None
MLT  A   3 (-4.9A)
 0.47A 4e3hA-3q31A:
24.5		 4e3hA-3q31A:
30.69
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.
3tqt D-ALANINE--D-ALANINE
LIGASE

(Coxiella
burnetii) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 VAL A 221
LEU A 183
VAL A 185
THR A 206
VAL A 199
 None
 1.06A 4e3hA-3tqtA:
undetectable		 4e3hA-3tqtA:
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.
3utn THIOSULFATE
SULFURTRANSFERASE
TUM1

(Saccharomyces
cerevisiae) 		PF00581
(Rhodanese) 		5 VAL X  27
LEU X  93
VAL X  95
THR X 110
VAL X 119
 None
None
None
None
DMS  X 401 (-4.1A)
 0.93A 4e3hA-3utnX:
undetectable		 4e3hA-3utnX:
23.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
VAL A 121
PHE A 130
VAL A 142
THR A 198
THR A 199
TRP A 208
 None
None
None
None
ZN  A 261 ( 4.4A)
None
None
 0.35A 4e3hA-3uyqA:
40.9		 4e3hA-3uyqA:
58.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 VAL A 526
PHE A 474
LEU A 488
VAL A 490
VAL A 495
 None
 0.96A 4e3hA-3wnpA:
undetectable		 4e3hA-3wnpA:
16.17
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.
4b5q GLYCOSIDE HYDROLASE
FAMILY 61 PROTEIN D

(Phanerochaete
chrysosporium) 		PF03443
(Glyco_hydro_61) 		5 VAL A  60
PHE A   7
LEU A 166
VAL A 168
THR A 129
 None
 1.06A 4e3hA-4b5qA:
undetectable		 4e3hA-4b5qA:
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.
4bs9 TRUD

(uncultured
Prochloron sp.
06037A) 		PF02624
(YcaO) 		5 VAL A 115
LEU A 163
VAL A 161
LEU A 264
VAL A 189
 None
 0.98A 4e3hA-4bs9A:
undetectable		 4e3hA-4bs9A:
16.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		8 GLN A  87
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175
VAL A 182
TRP A 184
 AZM  A 302 (-4.4A)
AZM  A 302 (-4.7A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
None
None
 0.50A 4e3hA-4g7aA:
29.8		 4e3hA-4g7aA:
34.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		5 VAL A 120
LEU A 173
THR A 174
THR A 175
VAL A 182
 AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
None
 1.06A 4e3hA-4g7aA:
29.8		 4e3hA-4g7aA:
34.26
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 VAL A 721
LEU A 729
VAL A 731
LEU A 751
VAL A 786
 None
 0.89A 4e3hA-4i3gA:
undetectable		 4e3hA-4i3gA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 VAL A 407
LEU A  86
VAL A  84
LEU A 396
VAL A  73
 None
 0.95A 4e3hA-4i8vA:
undetectable		 4e3hA-4i8vA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 VAL A 407
VAL A  84
LEU A 396
THR A 394
VAL A  73
 None
 1.01A 4e3hA-4i8vA:
undetectable		 4e3hA-4i8vA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j1y COMPLEMENT C1S
SUBCOMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		6 VAL A 487
LEU A 464
VAL A 453
LEU A 535
THR A 504
VAL A 470
 None
 1.20A 4e3hA-4j1yA:
undetectable		 4e3hA-4j1yA:
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.
4jgg ESTERASE TESA

(Pseudomonas
aeruginosa) 		PF13472
(Lipase_GDSL_2) 		5 VAL A  69
LEU A   3
VAL A   5
LEU A  26
VAL A  39
 None
 0.94A 4e3hA-4jggA:
undetectable		 4e3hA-4jggA:
18.59
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 VAL A 285
LEU A 159
VAL A 161
LEU A 316
VAL A   6
 None
 0.94A 4e3hA-4n9xA:
undetectable		 4e3hA-4n9xA:
20.29
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.
4p7y METHIONINE
GAMMA-LYASE

(Citrobacter
freundii) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 181
VAL A 183
LEU A  99
THR A  98
VAL A 152
 None
 0.91A 4e3hA-4p7yA:
undetectable		 4e3hA-4p7yA:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
VAL A 121
PHE A 131
LEU A 141
LEU A 198
THR A 199
 None
None
None
None
None
ZN  A 301 ( 4.4A)
 1.22A 4e3hA-4qk3A:
44.3		 4e3hA-4qk3A:
95.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		10 GLN A  92
VAL A 121
PHE A 131
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
VAL A 207
TRP A 209
 None
None
None
None
None
None
ZN  A 301 ( 4.4A)
None
None
None
 0.20A 4e3hA-4qk3A:
44.3		 4e3hA-4qk3A:
95.77
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.
4r7p UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Homo sapiens) 		PF01704
(UDPGP) 		5 VAL A 460
LEU A 458
LEU A 402
THR A 398
VAL A 430
 None
 1.00A 4e3hA-4r7pA:
undetectable		 4e3hA-4r7pA:
17.37
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.
4rul DNA TOPOISOMERASE 1

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01396
(zf-C4_Topoisom)
PF01751
(Toprim)
PF08272
(Topo_Zn_Ribbon) 		5 VAL A 268
LEU A 413
VAL A 415
LEU A 234
THR A 226
 None
 0.75A 4e3hA-4rulA:
undetectable		 4e3hA-4rulA:
15.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		8 GLN A 110
VAL A 133
VAL A 143
LEU A 197
THR A 198
THR A 199
VAL A 206
TRP A 208
 CL  A 304 ( 3.7A)
None
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
None
 0.56A 4e3hA-4uovA:
31.1		 4e3hA-4uovA:
37.06
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.
4usq PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Cellvibrio sp.
BR) 		PF13738
(Pyr_redox_3) 		5 VAL A 200
LEU A 176
VAL A 178
VAL A 286
TRP A 288
 None
 0.89A 4e3hA-4usqA:
undetectable		 4e3hA-4usqA:
18.90
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.
4uzm PUTATIVE MEMBRANE
PROTEIN IGAA HOMOLOG

(Escherichia
coli) 		PF07095
(IgaA) 		5 PHE A  37
LEU A 135
VAL A 133
THR A  96
VAL A 144
 None
 0.95A 4e3hA-4uzmA:
undetectable		 4e3hA-4uzmA:
18.18
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.
4wop ATP-DEPENDENT
DETHIOBIOTIN
SYNTHETASE BIOD

(Mycobacterium
tuberculosis) 		PF13500
(AAA_26) 		5 VAL A 167
LEU A 136
VAL A 138
LEU A  22
VAL A   6
 None
 0.99A 4e3hA-4wopA:
undetectable		 4e3hA-4wopA:
21.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		8 GLN A  87
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175
VAL A 182
TRP A 184
 AZM  A 302 (-4.3A)
AZM  A 302 (-4.8A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
None
None
 0.49A 4e3hA-4x5sA:
29.8		 4e3hA-4x5sA:
38.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		5 VAL A 120
LEU A 173
THR A 174
THR A 175
VAL A 182
 AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
None
 1.07A 4e3hA-4x5sA:
29.8		 4e3hA-4x5sA:
38.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		6 VAL A 131
LEU A 139
LEU A 190
THR A 191
VAL A 199
TRP A 201
 None
None
None
ZN  A 301 (-4.3A)
None
None
 0.70A 4e3hA-4xfwA:
26.6		 4e3hA-4xfwA:
30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		6 VAL A 131
LEU A 139
VAL A 141
THR A 191
VAL A 199
TRP A 201
 None
None
None
ZN  A 301 (-4.3A)
None
None
 0.44A 4e3hA-4xfwA:
26.6		 4e3hA-4xfwA:
30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		9 GLN A 158
VAL A 181
LEU A 190
VAL A 192
LEU A 253
THR A 254
THR A 255
VAL A 262
TRP A 264
 None
None
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
None
None
 0.50A 4e3hA-4xixA:
25.9		 4e3hA-4xixA:
34.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 VAL A  15
PHE A 196
LEU A  31
VAL A  38
LEU A  27
 None
 1.02A 4e3hA-4xr9A:
undetectable		 4e3hA-4xr9A:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		9 GLN A 163
VAL A 186
LEU A 194
VAL A 196
LEU A 251
THR A 252
THR A 253
VAL A 260
TRP A 262
 None
None
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
None
None
 0.42A 4e3hA-4xz5A:
29.7		 4e3hA-4xz5A:
32.83
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.
4yhb IRON-CHELATOR
UTILIZATION PROTEIN

(Thermobifida
fusca) 		PF04954
(SIP)
PF08021
(FAD_binding_9) 		5 PHE A 105
LEU A  56
VAL A  54
LEU A  37
VAL A 128
 None
 0.98A 4e3hA-4yhbA:
undetectable		 4e3hA-4yhbA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5auo ATPASE INVOLVED IN
CHROMOSOME
PARTITIONING,
PARA/MIND FAMILY,
MRP HOMOLOG

(Thermococcus
kodakarensis) 		PF10609
(ParA) 		6 VAL B 185
LEU B 154
VAL B 156
LEU B  40
THR B  39
VAL B  24
 None
 1.01A 4e3hA-5auoB:
undetectable		 4e3hA-5auoB:
23.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 GLN A  92
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
VAL A 207
TRP A 209
 GOL  A 303 (-3.2A)
520  A 302 ( 4.9A)
None
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
None
None
 0.27A 4e3hA-5cjfA:
36.6		 4e3hA-5cjfA:
36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e5u RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 PHE A 187
LEU A 256
THR A 257
THR A 258
VAL A 265
TRP A 267
 None
 0.69A 4e3hA-5e5uA:
34.4		 4e3hA-5e5uA:
31.39
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.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		5 VAL A 115
LEU A 178
VAL A 180
LEU A 134
VAL A 145
 None
 1.00A 4e3hA-5e7pA:
undetectable		 4e3hA-5e7pA:
15.80
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.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfohalobium
retbaense) 		PF13458
(Peripla_BP_6) 		5 VAL A 121
VAL A  99
LEU A 297
THR A 296
VAL A  35
 None
 1.06A 4e3hA-5ereA:
undetectable		 4e3hA-5ereA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		6 GLN X  91
VAL X 120
PHE X 129
LEU X 139
LEU X 196
THR X 197
 None
None
None
None
None
ZN  X 301 ( 4.4A)
 1.29A 4e3hA-5eztX:
44.3		 4e3hA-5eztX:
80.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		10 GLN X  91
VAL X 120
PHE X 129
LEU X 139
VAL X 141
LEU X 196
THR X 197
THR X 198
VAL X 205
TRP X 207
 None
None
None
None
None
None
ZN  X 301 ( 4.4A)
None
None
None
 0.32A 4e3hA-5eztX:
44.3		 4e3hA-5eztX:
80.16
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.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		5 VAL A 235
LEU A 293
VAL A 291
LEU A 347
THR A 348
 None
 1.02A 4e3hA-5gj3A:
undetectable		 4e3hA-5gj3A:
21.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		9 GLN A  94
VAL A 117
LEU A 125
VAL A 127
LEU A 181
THR A 182
THR A 183
VAL A 190
TRP A 192
 None
None
None
None
None
ZN  A 301 ( 4.4A)
None
None
None
 0.59A 4e3hA-5hpjA:
29.4		 4e3hA-5hpjA:
35.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 GLN A  92
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
VAL A 207
TRP A 209
 EZL  A 302 (-4.3A)
EZL  A 302 (-4.7A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
None
None
 0.35A 4e3hA-5jn9A:
33.2		 4e3hA-5jn9A:
35.42
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 VAL A  42
VAL A 132
LEU A 215
THR A 216
VAL A 175
 None
 0.99A 4e3hA-5k6oA:
undetectable		 4e3hA-5k6oA:
14.47
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.
5lpe KALLIKREIN-10

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A  67
LEU A  46
VAL A  31
THR A  85
VAL A  52
 None
 1.06A 4e3hA-5lpeA:
undetectable		 4e3hA-5lpeA:
22.74
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.
5m28 MALE1

(Lactobacillus
casei) 		PF13416
(SBP_bac_8) 		5 VAL A  48
LEU A  22
VAL A  20
THR A 289
VAL A  74
 None
 0.95A 4e3hA-5m28A:
undetectable		 4e3hA-5m28A:
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.
5sy5 ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		5 PHE A 263
VAL A 218
LEU A 209
THR A 208
VAL A 213
 None
 0.95A 4e3hA-5sy5A:
undetectable		 4e3hA-5sy5A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thk PUTATIVE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLN A  67
LEU A  70
THR A  71
THR A  72
VAL A  97
 None
NAP  A 300 (-4.1A)
NAP  A 300 (-3.8A)
None
NAP  A 300 (-3.4A)
 0.94A 4e3hA-5thkA:
undetectable		 4e3hA-5thkA:
22.26
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.
5ul4 OXSB PROTEIN

(Bacillus
megaterium) 		PF02310
(B12-binding) 		5 VAL A 120
LEU A 147
VAL A 155
LEU A 143
THR A 140
 None
None
None
B12  A 802 ( 4.7A)
None
 1.03A 4e3hA-5ul4A:
undetectable		 4e3hA-5ul4A:
16.27
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.
5una 7SK SNRNA
METHYLPHOSPHATE
CAPPING ENZYME

(Homo sapiens) 		PF06859
(Bin3)
PF13847
(Methyltransf_31) 		5 VAL A 447
LEU A 579
VAL A 577
LEU A 437
VAL A 614
 None
 1.04A 4e3hA-5unaA:
undetectable		 4e3hA-5unaA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		5 VAL A -33
LEU A  76
VAL A  78
THR A  59
VAL A  87
 None
 0.95A 4e3hA-5wx1A:
undetectable		 4e3hA-5wx1A:
16.92
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.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 5 VAL A 619
LEU A 603
VAL A 605
THR A 636
VAL A 542
 None
 0.91A 4e3hA-5xilA:
undetectable		 4e3hA-5xilA:
13.46
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 9 GLN A 115
VAL A 138
LEU A 146
VAL A 148
LEU A 201
THR A 202
THR A 203
VAL A 210
TRP A 212
 None
None
None
None
None
ZN  A 301 (-4.4A)
None
None
None
 0.44A 4e3hA-6ekiA:
29.9		 4e3hA-6ekiA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 9 GLN A  92
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
VAL A 207
TRP A 209
 V14  A 302 (-3.8A)
V14  A 302 (-4.7A)
None
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
None
 0.50A 4e3hA-6fe1A:
33.8		 4e3hA-6fe1A:
14.90
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 5 VAL A 143
LEU A 198
THR A 199
THR A 200
VAL A 207
 None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
 1.04A 4e3hA-6fe1A:
33.8		 4e3hA-6fe1A:
14.90