SIMILAR PATTERNS OF AMINO ACIDS FOR 1EKJ_E_ACTE3005_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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		4 ASP A 168
HIS A 131
GLY A 294
GLY A 293
 ZN  A 501 ( 2.3A)
TSN  A 502 (-4.0A)
None
None
 1.00A 1ekjE-1c3rA:
undetectable
1ekjF-1c3rA:
undetectable		 1ekjE-1c3rA:
22.31
1ekjF-1c3rA:
22.31
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 CYH A 149
HIS A 205
GLY A 209
GLY A 210
TYR A 444
 ZN  A   1 (-2.4A)
ZN  A   1 (-3.2A)
ZN  A   1 (-4.7A)
None
None
 0.36A 1ekjE-1ddzA:
18.7
1ekjF-1ddzA:
18.6		 1ekjE-1ddzA:
19.38
1ekjF-1ddzA:
19.38
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		4 CYH A 403
ASP A 405
HIS A 459
GLY A 464
 ZN  A   2 (-2.3A)
ZN  A   2 (-2.8A)
ZN  A   2 (-3.2A)
None
 0.96A 1ekjE-1ddzA:
18.7
1ekjF-1ddzA:
18.6		 1ekjE-1ddzA:
19.38
1ekjF-1ddzA:
19.38
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 CYH A 403
HIS A 459
GLY A 463
GLY A 464
TYR A 190
 ZN  A   2 (-2.3A)
ZN  A   2 (-3.2A)
None
None
None
 0.55A 1ekjE-1ddzA:
18.7
1ekjF-1ddzA:
18.6		 1ekjE-1ddzA:
19.38
1ekjF-1ddzA:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		5 CYH A 160
ASP A 162
HIS A 220
GLY A 224
GLY A 225
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ZN  A4001 ( 3.2A)
ACT  A3001 (-3.4A)
ACT  A3001 (-3.7A)
 0.15A 1ekjE-1ekjA:
32.7
1ekjF-1ekjA:
31.8		 1ekjE-1ekjA:
100.00
1ekjF-1ekjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		4 CYH A 160
ASP A 162
HIS A 220
GLY A 225
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ZN  A4001 ( 3.2A)
ACT  A3001 (-3.7A)
 0.86A 1ekjE-1ekjA:
32.7
1ekjF-1ekjA:
31.8		 1ekjE-1ekjA:
100.00
1ekjF-1ekjA:
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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 ASP A 106
HIS A  76
GLY A 109
GLY A 110
 None
 0.89A 1ekjE-1ethA:
undetectable
1ekjF-1ethA:
undetectable		 1ekjE-1ethA:
18.38
1ekjF-1ethA:
18.38
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.
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) 		4 HIS A 972
GLY A 589
GLY A 590
GLN A 600
 None
 0.98A 1ekjE-1f4hA:
undetectable
1ekjF-1f4hA:
undetectable		 1ekjE-1f4hA:
11.89
1ekjF-1f4hA:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g5c BETA-CARBONIC
ANHYDRASE

(Methanothermobacter
thermautotrophicus) 		PF00484
(Pro_CA) 		4 CYH A  32
ASP A  34
HIS A  87
GLY A  91
 ZN  A1001 (-2.4A)
EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
None
 0.73A 1ekjE-1g5cA:
13.0
1ekjF-1g5cA:
12.7		 1ekjE-1g5cA:
24.07
1ekjF-1g5cA:
24.07
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 CYH A 150
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 ( 2.3A)
None
MTE  A3003 (-3.8A)
None
 0.80A 1ekjE-1n5xA:
undetectable
1ekjF-1n5xA:
undetectable		 1ekjE-1n5xA:
10.37
1ekjF-1n5xA:
10.37
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.
1qas PHOSPHOLIPASE C
DELTA-1

(Rattus
norvegicus) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 ASP A 595
GLY A 597
GLY A 598
GLN A 296
 None
 0.90A 1ekjE-1qasA:
undetectable
1ekjF-1qasA:
undetectable		 1ekjE-1qasA:
18.93
1ekjF-1qasA:
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.
1vg0 RAB PROTEINS
GERANYLGERANYLTRANSF
ERASE COMPONENT A 1

(Rattus
norvegicus) 		PF00996
(GDI) 		4 CYH A 385
HIS A  36
GLY A  17
GLY A  44
 None
 0.81A 1ekjE-1vg0A:
undetectable
1ekjF-1vg0A:
undetectable		 1ekjE-1vg0A:
17.00
1ekjF-1vg0A:
17.00
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 ASP A 153
GLY A 130
GLY A 129
GLN A  76
 None
 0.92A 1ekjE-1xj5A:
undetectable
1ekjF-1xj5A:
undetectable		 1ekjE-1xj5A:
22.06
1ekjF-1xj5A:
22.06
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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		4 CYH A  51
ASP A  53
HIS A 104
GLY A 108
 ZN  A 401 ( 2.3A)
SCN  A 501 (-4.0A)
ZN  A 401 ( 3.3A)
SCN  A 501 (-4.2A)
 0.18A 1ekjE-2a5vA:
19.1
1ekjF-2a5vA:
19.2		 1ekjE-2a5vA:
29.49
1ekjF-2a5vA:
29.49
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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		4 CYH A  51
ASP A  53
HIS A 104
GLY A 108
 ZN  A 401 ( 2.3A)
SCN  A 501 (-4.0A)
ZN  A 401 ( 3.3A)
SCN  A 501 (-4.2A)
 0.96A 1ekjE-2a5vA:
19.1
1ekjF-2a5vA:
19.2		 1ekjE-2a5vA:
29.49
1ekjF-2a5vA:
29.49
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.
2bi0 HYPOTHETICAL PROTEIN
RV0216

(Mycobacterium
tuberculosis) 		no annotation 4 HIS A 237
GLY A 250
GLY A 251
TYR A  94
 None
 0.76A 1ekjE-2bi0A:
undetectable
1ekjF-2bi0A:
undetectable		 1ekjE-2bi0A:
22.29
1ekjF-2bi0A:
22.29
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.
2ckh SENTRIN-SPECIFIC
PROTEASE 1

(Homo sapiens) 		PF02902
(Peptidase_C48) 		4 CYH A 535
HIS A 533
GLY A 554
GLY A 553
 None
 0.88A 1ekjE-2ckhA:
undetectable
1ekjF-2ckhA:
undetectable		 1ekjE-2ckhA:
18.18
1ekjF-2ckhA:
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.
2d7u ADENYLOSUCCINATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00709
(Adenylsucc_synt) 		4 HIS A  43
GLY A 177
GLY A  35
GLN A 179
 None
 0.95A 1ekjE-2d7uA:
undetectable
1ekjF-2d7uA:
undetectable		 1ekjE-2d7uA:
20.82
1ekjF-2d7uA:
20.82
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.
2eaa 7S GLOBULIN-3

(Vigna angularis) 		PF00190
(Cupin_1) 		4 ASP A 370
HIS A 403
GLY A 368
GLY A 367
 None
 0.81A 1ekjE-2eaaA:
undetectable
1ekjF-2eaaA:
undetectable		 1ekjE-2eaaA:
19.68
1ekjF-2eaaA:
19.68
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.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		4 CYH A  42
ASP A  44
HIS A  98
GLY A 103
 ZN  A 300 (-2.3A)
ZN  A 300 (-3.1A)
ZN  A 300 (-3.3A)
None
 0.87A 1ekjE-2esfA:
20.9
1ekjF-2esfA:
20.9		 1ekjE-2esfA:
27.73
1ekjF-2esfA:
27.73
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.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		4 CYH A  42
HIS A  98
GLY A 102
GLY A 103
 ZN  A 300 (-2.3A)
ZN  A 300 (-3.3A)
None
None
 0.22A 1ekjE-2esfA:
20.9
1ekjF-2esfA:
20.9		 1ekjE-2esfA:
27.73
1ekjF-2esfA:
27.73
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 ASP A 606
HIS A 646
GLY A 608
GLY A 650
 None
 0.93A 1ekjE-2jgdA:
4.9
1ekjF-2jgdA:
4.5		 1ekjE-2jgdA:
15.14
1ekjF-2jgdA:
15.14
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.
2l80 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 13

(Homo sapiens) 		PF02148
(zf-UBP) 		4 CYH A  24
HIS A  57
GLY A  54
GLY A  53
 ZN  A 124 (-2.2A)
ZN  A 124 (-3.1A)
ZN  A 124 ( 4.1A)
None
 0.94A 1ekjE-2l80A:
undetectable
1ekjF-2l80A:
undetectable		 1ekjE-2l80A:
20.00
1ekjF-2l80A:
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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE

(Danio rerio) 		PF00149
(Metallophos) 		4 ASP A 151
GLY A 200
GLY A 199
GLN A 205
 None
 0.78A 1ekjE-2nxfA:
undetectable
1ekjF-2nxfA:
undetectable		 1ekjE-2nxfA:
21.65
1ekjF-2nxfA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nym SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP C 202
GLY C 168
GLY C 169
GLN C 242
 None
 0.89A 1ekjE-2nymC:
undetectable
1ekjF-2nymC:
undetectable		 1ekjE-2nymC:
20.79
1ekjF-2nymC:
20.79
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.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		4 ASP A  56
HIS A  91
GLY A 167
GLY A 209
 None
ZN  A 302 (-3.2A)
None
ZN  A 302 ( 4.8A)
 0.94A 1ekjE-2nypA:
undetectable
1ekjF-2nypA:
undetectable		 1ekjE-2nypA:
23.32
1ekjF-2nypA:
23.32
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT GAMMA

(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF04358
(DsrC) 		4 ASP C  14
GLY A  69
GLY A  68
TYR A  84
 None
 0.96A 1ekjE-2v4jC:
undetectable
1ekjF-2v4jC:
undetectable		 1ekjE-2v4jC:
19.37
1ekjF-2v4jC:
19.37
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.
2vri NON-STRUCTURAL
PROTEIN 3

(Human
coronavirus
NL63) 		PF01661
(Macro) 		4 ASP A  47
GLY A  39
GLY A  40
GLN A  55
 None
 0.97A 1ekjE-2vriA:
undetectable
1ekjF-2vriA:
undetectable		 1ekjE-2vriA:
21.59
1ekjF-2vriA:
21.59
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.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		5 CYH A  68
ASP A  70
HIS A 124
GLY A 128
GLY A 129
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ZN  A1232 ( 3.3A)
ACT  A1233 (-3.4A)
ACT  A1233 (-3.9A)
 0.19A 1ekjE-2w3nA:
21.2
1ekjF-2w3nA:
21.3		 1ekjE-2w3nA:
27.91
1ekjF-2w3nA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		4 CYH A  68
ASP A  70
HIS A 124
GLY A 129
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ZN  A1232 ( 3.3A)
ACT  A1233 (-3.9A)
 0.88A 1ekjE-2w3nA:
21.2
1ekjF-2w3nA:
21.3		 1ekjE-2w3nA:
27.91
1ekjF-2w3nA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xev YBGF

(Xanthomonas
campestris) 		PF13525
(YfiO) 		4 ASP A  72
GLY A  76
GLY A  77
TYR A  42
 None
 0.91A 1ekjE-2xevA:
undetectable
1ekjF-2xevA:
undetectable		 1ekjE-2xevA:
19.20
1ekjF-2xevA:
19.20
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.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
SULFUR RELAY
PROTEIN,
TUSE/DSRC/DSVC
FAMILY

(Desulfomicrobium
norvegicum;
Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF04358
(DsrC) 		4 ASP C  14
GLY A  69
GLY A  68
TYR A  84
 None
 0.96A 1ekjE-2xsjC:
undetectable
1ekjF-2xsjC:
undetectable		 1ekjE-2xsjC:
18.47
1ekjF-2xsjC:
18.47
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.
2z2i PEPTIDYL-TRNA
HYDROLASE

(Mycobacterium
tuberculosis) 		PF01195
(Pept_tRNA_hydro) 		4 ASP A  96
HIS A  94
GLY A 113
GLY A 114
 None
 0.96A 1ekjE-2z2iA:
undetectable
1ekjF-2z2iA:
undetectable		 1ekjE-2z2iA:
21.74
1ekjF-2z2iA:
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.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		4 GLY A 463
GLY A 462
GLN A 371
TYR A 455
 None
 0.96A 1ekjE-2zwsA:
undetectable
1ekjF-2zwsA:
undetectable		 1ekjE-2zwsA:
17.00
1ekjF-2zwsA:
17.00
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 HIS A 179
GLY A 199
GLY A 198
GLN A 248
 None
 0.87A 1ekjE-3b7fA:
undetectable
1ekjF-3b7fA:
undetectable		 1ekjE-3b7fA:
19.70
1ekjF-3b7fA:
19.70
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.
3boe CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 4 CYH A 263
ASP A 265
HIS A 315
GLY A 326
 CD  A1001 ( 2.4A)
ACT  A1002 ( 4.4A)
CD  A1001 (-3.5A)
ACT  A1002 (-3.7A)
 0.26A 1ekjE-3boeA:
undetectable
1ekjF-3boeA:
undetectable		 1ekjE-3boeA:
21.54
1ekjF-3boeA:
21.54
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.
3boe CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 4 CYH A 263
ASP A 265
HIS A 315
GLY A 326
 CD  A1001 ( 2.4A)
ACT  A1002 ( 4.4A)
CD  A1001 (-3.5A)
ACT  A1002 (-3.7A)
 0.95A 1ekjE-3boeA:
undetectable
1ekjF-3boeA:
undetectable		 1ekjE-3boeA:
21.54
1ekjF-3boeA:
21.54
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.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 4 CYH A  53
ASP A  55
HIS A 105
GLY A 116
 CD  A1001 ( 2.4A)
ACT  A1002 ( 4.4A)
CD  A1001 (-3.5A)
ACT  A1002 (-3.8A)
 0.26A 1ekjE-3bohA:
undetectable
1ekjF-3bohA:
undetectable		 1ekjE-3bohA:
24.42
1ekjF-3bohA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 4 CYH A  53
ASP A  55
HIS A 105
GLY A 116
 CD  A1001 ( 2.4A)
ACT  A1002 ( 4.4A)
CD  A1001 (-3.5A)
ACT  A1002 (-3.8A)
 0.93A 1ekjE-3bohA:
undetectable
1ekjF-3bohA:
undetectable		 1ekjE-3bohA:
24.42
1ekjF-3bohA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3chv PROKARYOTIC DOMAIN
OF UNKNOWN FUNCTION
(DUF849) WITH A TIM
BARREL FOLD

(Ruegeria
pomeroyi) 		PF05853
(BKACE) 		4 HIS A  53
GLY A  89
GLY A  90
TYR A 123
 ZN  A 302 (-3.2A)
None
None
None
 0.94A 1ekjE-3chvA:
undetectable
1ekjF-3chvA:
undetectable		 1ekjE-3chvA:
21.09
1ekjF-3chvA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewr NON-STRUCTURAL
PROTEIN 3

(Human
coronavirus
229E) 		PF01661
(Macro) 		4 ASP A  51
GLY A  43
GLY A  44
GLN A  59
 None
APR  A 169 ( 4.5A)
APR  A 169 (-3.2A)
None
 0.99A 1ekjE-3ewrA:
undetectable
1ekjF-3ewrA:
undetectable		 1ekjE-3ewrA:
20.96
1ekjF-3ewrA:
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.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		5 CYH A  57
ASP A  59
HIS A 112
GLY A 116
GLY A 117
 ZN  A   1 ( 2.3A)
ZN  A   1 ( 4.8A)
ZN  A   1 (-3.2A)
ACT  A 222 (-3.2A)
ACT  A 222 (-3.6A)
 0.33A 1ekjE-3eyxA:
21.3
1ekjF-3eyxA:
21.3		 1ekjE-3eyxA:
29.36
1ekjF-3eyxA:
29.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fa5 PROTEIN OF UNKNOWN
FUNCTION (DUF849)

(Paracoccus
denitrificans) 		PF05853
(BKACE) 		4 HIS A  53
GLY A  89
GLY A  90
TYR A 123
 MG  A 282 (-3.5A)
None
None
None
 0.86A 1ekjE-3fa5A:
undetectable
1ekjF-3fa5A:
undetectable		 1ekjE-3fa5A:
22.26
1ekjF-3fa5A:
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.
3j9j TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 1

(Rattus
norvegicus) 		PF00520
(Ion_trans) 		4 GLY A 105
GLY A 104
GLN A 139
TYR A  64
 None
 0.93A 1ekjE-3j9jA:
undetectable
1ekjF-3j9jA:
undetectable		 1ekjE-3j9jA:
16.55
1ekjF-3j9jA:
16.55
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.
3las PUTATIVE CARBONIC
ANHYDRASE

(Streptococcus
mutans) 		PF00484
(Pro_CA) 		4 CYH A  38
ASP A  40
HIS A  91
GLY A  95
 ZN  A 167 (-2.2A)
None
ZN  A 167 (-3.2A)
ZN  A 167 ( 4.8A)
 0.36A 1ekjE-3lasA:
13.0
1ekjF-3lasA:
7.5		 1ekjE-3lasA:
24.32
1ekjF-3lasA:
24.32
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.
3las PUTATIVE CARBONIC
ANHYDRASE

(Streptococcus
mutans) 		PF00484
(Pro_CA) 		4 CYH A  38
ASP A  40
HIS A  91
GLY A  95
 ZN  A 167 (-2.2A)
None
ZN  A 167 (-3.2A)
ZN  A 167 ( 4.8A)
 0.77A 1ekjE-3lasA:
13.0
1ekjF-3lasA:
7.5		 1ekjE-3lasA:
24.32
1ekjF-3lasA:
24.32
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.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		4 CYH A  42
HIS A  98
GLY A 102
GLY A 103
 CO  A 230 (-2.2A)
CO  A 230 (-2.9A)
None
None
 0.37A 1ekjE-3mf3A:
19.2
1ekjF-3mf3A:
19.1		 1ekjE-3mf3A:
27.87
1ekjF-3mf3A:
27.87
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.
3mn8 LP15968P

(Drosophila
melanogaster) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 ASP A 228
GLY A 288
GLY A 287
GLN A 290
 GEM  A 601 (-3.1A)
None
None
None
 0.91A 1ekjE-3mn8A:
undetectable
1ekjF-3mn8A:
undetectable		 1ekjE-3mn8A:
21.10
1ekjF-3mn8A:
21.10
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.
3no5 UNCHARACTERIZED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		4 HIS A  49
GLY A  85
GLY A  86
TYR A 119
 ZN  A 275 (-3.3A)
None
None
None
 0.66A 1ekjE-3no5A:
undetectable
1ekjF-3no5A:
undetectable		 1ekjE-3no5A:
20.22
1ekjF-3no5A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3omd UNCHARACTERIZED
PROTEIN

(Leptospirillum
rubarum) 		PF16798
(DUF5069) 		4 HIS A  78
GLY A  16
GLY A  17
GLN A  71
 None
 0.95A 1ekjE-3omdA:
undetectable
1ekjF-3omdA:
undetectable		 1ekjE-3omdA:
19.82
1ekjF-3omdA:
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.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA
SULFITE REDCUTASE
SUBUNIT GAMA

(Desulfovibrio
gigas;
Desulfovibrio
gigas) 		PF01077
(NIR_SIR)
PF04358
(DsrC) 		4 ASP C  14
GLY A  69
GLY A  68
TYR A  84
 SO3  A6573 ( 4.7A)
SO3  A6573 (-3.6A)
SO3  A6573 ( 4.3A)
None
 0.95A 1ekjE-3or2C:
undetectable
1ekjF-3or2C:
undetectable		 1ekjE-3or2C:
18.47
1ekjF-3or2C:
18.47
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.
3teo CARBON DISULFIDE
HYDROLASE

(Acidianus sp.
A1-3) 		PF00484
(Pro_CA) 		4 ASP A  37
HIS A  88
GLY A  60
GLY A  61
 None
CL  A 205 (-4.6A)
CL  A 205 (-3.9A)
None
 0.95A 1ekjE-3teoA:
11.3
1ekjF-3teoA:
12.3		 1ekjE-3teoA:
24.07
1ekjF-3teoA:
24.07
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.
3uca GERANYLTRANSTRANSFER
ASE

(Clostridium
perfringens) 		PF00348
(polyprenyl_synt) 		4 ASP A 157
GLY A 161
GLY A 162
TYR A 182
 None
 0.90A 1ekjE-3ucaA:
undetectable
1ekjF-3ucaA:
undetectable		 1ekjE-3ucaA:
21.71
1ekjF-3ucaA:
21.71
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.
3ucn CARBONIC ANHYDRASE

(Coccomyxa sp.
PA) 		PF00484
(Pro_CA) 		4 CYH A  47
ASP A  49
HIS A 103
GLY A 107
 ZN  A 228 ( 2.3A)
AZI  A 229 (-4.2A)
ZN  A 228 ( 3.3A)
AZI  A 229 (-4.1A)
 0.18A 1ekjE-3ucnA:
21.7
1ekjF-3ucnA:
21.6		 1ekjE-3ucnA:
28.69
1ekjF-3ucnA:
28.69
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.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 4 CYH A 473
ASP A 475
HIS A 525
GLY A 536
 CD  A 700 ( 2.4A)
ACT  A 800 ( 4.1A)
CD  A 700 (-3.5A)
ACT  A 800 (-3.7A)
 0.26A 1ekjE-3uk8A:
undetectable
1ekjF-3uk8A:
undetectable		 1ekjE-3uk8A:
24.40
1ekjF-3uk8A:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 4 CYH A 473
ASP A 475
HIS A 525
GLY A 536
 CD  A 700 ( 2.4A)
ACT  A 800 ( 4.1A)
CD  A 700 (-3.5A)
ACT  A 800 (-3.7A)
 0.93A 1ekjE-3uk8A:
undetectable
1ekjF-3uk8A:
undetectable		 1ekjE-3uk8A:
24.40
1ekjF-3uk8A:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		4 ASP A 208
GLY A 174
GLY A 175
GLN A 249
 None
 0.77A 1ekjE-3v4yA:
undetectable
1ekjF-3v4yA:
undetectable		 1ekjE-3v4yA:
21.54
1ekjF-3v4yA:
21.54
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.
3vrk CARBONYL SULFIDE
HYDROLASE

(Thiobacillus
thioparus) 		PF00484
(Pro_CA) 		4 ASP A  46
HIS A  97
GLY A  69
GLY A  70
 SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.3A)
None
 0.84A 1ekjE-3vrkA:
13.2
1ekjF-3vrkA:
13.1		 1ekjE-3vrkA:
24.69
1ekjF-3vrkA:
24.69
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.
3vrk CARBONYL SULFIDE
HYDROLASE

(Thiobacillus
thioparus) 		PF00484
(Pro_CA) 		4 CYH A  44
ASP A  46
HIS A  97
GLY A 101
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
SCN  A 303 ( 4.2A)
 0.18A 1ekjE-3vrkA:
13.2
1ekjF-3vrkA:
13.1		 1ekjE-3vrkA:
24.69
1ekjF-3vrkA:
24.69
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.
3wvo CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		PF09481
(CRISPR_Cse1) 		4 CYH A 258
ASP A  64
GLY A  67
GLY A  68
 None
 0.96A 1ekjE-3wvoA:
undetectable
1ekjF-3wvoA:
undetectable		 1ekjE-3wvoA:
17.17
1ekjF-3wvoA:
17.17
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 ASP A 170
HIS A 134
GLY A 295
GLY A 294
 ZN  A 500 (-2.2A)
ACT  A 501 (-4.0A)
None
None
 1.00A 1ekjE-4a69A:
undetectable
1ekjF-4a69A:
undetectable		 1ekjE-4a69A:
20.37
1ekjF-4a69A:
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 ASP B 176
HIS B 140
GLY B 300
GLY B 299
 ZN  B 600 (-2.2A)
ACT  B 601 (-3.7A)
ACT  B 601 ( 4.8A)
None
 0.98A 1ekjE-4bkxB:
undetectable
1ekjF-4bkxB:
undetectable		 1ekjE-4bkxB:
19.45
1ekjF-4bkxB:
19.45
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		4 ASP A 186
HIS A 141
GLY A 338
GLY A 337
 ZN  A 500 (-2.3A)
B3N  A 700 (-3.9A)
None
None
 0.94A 1ekjE-4bz7A:
undetectable
1ekjF-4bz7A:
undetectable		 1ekjE-4bz7A:
19.87
1ekjF-4bz7A:
19.87
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.
4ct7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12842
(DUF3819) 		4 ASP A1565
GLY A1563
GLY A1562
GLN A1568
 None
 1.00A 1ekjE-4ct7A:
undetectable
1ekjF-4ct7A:
undetectable		 1ekjE-4ct7A:
20.63
1ekjF-4ct7A:
20.63
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.
4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE

(Escherichia
coli) 		PF13489
(Methyltransf_23) 		4 ASP A  62
GLY A  68
GLY A  67
TYR A 107
 SAH  A 301 ( 4.5A)
None
None
None
 0.88A 1ekjE-4kdrA:
2.4
1ekjF-4kdrA:
2.4		 1ekjE-4kdrA:
19.28
1ekjF-4kdrA:
19.28
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.
4kf5 FLUORESCENT PROTEIN
GFP1-9
FLUORESCENT PROTEIN
SFCHERRY+GFP10-11

(synthetic
construct;
synthetic
construct) 		PF01353
(GFP)
PF01353
(GFP) 		4 ASP C 173
HIS A  81
GLY C 210
GLY C 211
 None
 0.96A 1ekjE-4kf5C:
undetectable
1ekjF-4kf5C:
undetectable		 1ekjE-4kf5C:
21.51
1ekjF-4kf5C:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 CYH A  45
ASP A  47
HIS A 101
GLY A 105
GLY A 106
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.4A)
None
None
 0.21A 1ekjE-4o1jA:
23.2
1ekjF-4o1jA:
23.2		 1ekjE-4o1jA:
35.71
1ekjF-4o1jA:
35.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		4 CYH A  45
ASP A  47
HIS A 101
GLY A 106
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.4A)
None
 0.96A 1ekjE-4o1jA:
23.2
1ekjF-4o1jA:
23.2		 1ekjE-4o1jA:
35.71
1ekjF-4o1jA:
35.71
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.
4o1k CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		4 CYH A  56
HIS A 112
GLY A 116
GLY A 117
 ZN  A 301 (-2.3A)
ZN  A 301 (-3.3A)
None
None
 0.29A 1ekjE-4o1kA:
21.4
1ekjF-4o1kA:
21.5		 1ekjE-4o1kA:
28.57
1ekjF-4o1kA:
28.57
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.
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 ASP A 219
GLY A  26
GLY A  25
GLN A 136
 INS  A 301 (-2.7A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
MG  A 303 ( 2.9A)
 0.96A 1ekjE-4xf7A:
undetectable
1ekjF-4xf7A:
undetectable		 1ekjE-4xf7A:
23.49
1ekjF-4xf7A:
23.49
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 CYH A 149
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 (-2.6A)
None
None
None
 0.89A 1ekjE-4yswA:
undetectable
1ekjF-4yswA:
undetectable		 1ekjE-4yswA:
11.25
1ekjF-4yswA:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5an8 TRPV2

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF12796
(Ank_2) 		4 GLY A 443
GLY A 442
GLN A 477
TYR A 401
 None
 1.00A 1ekjE-5an8A:
undetectable
1ekjF-5an8A:
undetectable		 1ekjE-5an8A:
16.12
1ekjF-5an8A:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ax7 PYRUVYL TRANSFERASE
1

(Schizosaccharomyces
pombe) 		PF04230
(PS_pyruv_trans) 		4 ASP A 240
HIS A 339
GLY A 158
GLY A 159
 None
 0.83A 1ekjE-5ax7A:
undetectable
1ekjF-5ax7A:
undetectable		 1ekjE-5ax7A:
21.57
1ekjF-5ax7A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		4 ASP C  52
GLY C 165
GLY C 166
TYR C  90
 None
 0.90A 1ekjE-5b04C:
undetectable
1ekjF-5b04C:
undetectable		 1ekjE-5b04C:
20.71
1ekjF-5b04C:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b5x LIMITING
CO2-INDUCIBLE
PROTEIN LCIC

(Chlamydomonas
reinhardtii) 		no annotation 4 CYH A 119
ASP A 121
HIS A 179
GLY A 204
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.9A)
ZN  A 500 (-3.2A)
None
 0.34A 1ekjE-5b5xA:
10.9
1ekjF-5b5xA:
10.8		 1ekjE-5b5xA:
21.59
1ekjF-5b5xA:
21.59
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.
5b5x LIMITING
CO2-INDUCIBLE
PROTEIN LCIC

(Chlamydomonas
reinhardtii) 		no annotation 4 CYH A 119
ASP A 121
HIS A 179
GLY A 204
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.9A)
ZN  A 500 (-3.2A)
None
 0.99A 1ekjE-5b5xA:
10.9
1ekjF-5b5xA:
10.8		 1ekjE-5b5xA:
21.59
1ekjF-5b5xA:
21.59
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 4 CYH A  46
ASP A  48
HIS A 102
GLY A 127
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.8A)
ZN  A 500 (-3.3A)
None
 0.37A 1ekjE-5b5zA:
10.4
1ekjF-5b5zA:
10.3		 1ekjE-5b5zA:
21.28
1ekjF-5b5zA:
21.28
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.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		5 CYH A  42
ASP A  44
HIS A  98
GLY A 102
GLY A 103
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
ZN  A 301 (-3.2A)
CO2  A 302 ( 4.5A)
CO2  A 302 (-3.7A)
 0.16A 1ekjE-5bq1A:
22.0
1ekjF-5bq1A:
21.9		 1ekjE-5bq1A:
28.63
1ekjF-5bq1A:
28.63
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.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		4 CYH A  42
ASP A  44
HIS A  98
GLY A 103
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
ZN  A 301 (-3.2A)
CO2  A 302 (-3.7A)
 0.86A 1ekjE-5bq1A:
22.0
1ekjF-5bq1A:
21.9		 1ekjE-5bq1A:
28.63
1ekjF-5bq1A:
28.63
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 CYH A 186
ASP A 190
GLY A 452
GLY A 453
 None
 0.93A 1ekjE-5chcA:
undetectable
1ekjF-5chcA:
undetectable		 1ekjE-5chcA:
13.71
1ekjF-5chcA:
13.71
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.
5cxk CARBONIC ANHYDRASE

(Vibrio cholerae) 		PF00484
(Pro_CA) 		4 CYH A  42
ASP A  44
HIS A  98
GLY A 103
 ZN  A 301 (-2.1A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
 0.88A 1ekjE-5cxkA:
20.4
1ekjF-5cxkA:
20.0		 1ekjE-5cxkA:
25.83
1ekjF-5cxkA:
25.83
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.
5cxk CARBONIC ANHYDRASE

(Vibrio cholerae) 		PF00484
(Pro_CA) 		4 CYH A  42
HIS A  98
GLY A 102
GLY A 103
 ZN  A 301 (-2.1A)
ZN  A 301 (-3.2A)
None
None
 0.18A 1ekjE-5cxkA:
20.4
1ekjF-5cxkA:
20.0		 1ekjE-5cxkA:
25.83
1ekjF-5cxkA:
25.83
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.
5din LIGAND OF NUMB
PROTEIN X 2

(Homo sapiens) 		PF13923
(zf-C3HC4_2) 		4 CYH A  95
ASP A 103
HIS A 113
GLY A 120
 ZN  A 204 (-2.3A)
None
ZN  A 204 (-3.3A)
None
 0.76A 1ekjE-5dinA:
undetectable
1ekjF-5dinA:
undetectable		 1ekjE-5dinA:
20.62
1ekjF-5dinA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF02775
(TPP_enzyme_C) 		4 CYH C 135
ASP C 137
GLY C 111
GLY C 112
 None
None
5SR  C 402 (-3.4A)
5SR  C 402 (-4.0A)
 0.85A 1ekjE-5exeC:
undetectable
1ekjF-5exeC:
undetectable		 1ekjE-5exeC:
22.36
1ekjF-5exeC:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5w LIMITING
CO2-INDUCIBLE
PROTEIN LCIB

(Chlamydomonas
reinhardtii) 		no annotation 4 CYH A 120
ASP A 122
HIS A 180
GLY A 205
 ZN  A 500 (-2.3A)
ZN  A 500 ( 4.9A)
ZN  A 500 (-3.3A)
None
 0.54A 1ekjE-5k5wA:
11.4
1ekjF-5k5wA:
11.4		 1ekjE-5k5wA:
22.74
1ekjF-5k5wA:
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases) 		4 HIS F  69
GLY F 158
GLY F 159
GLN F 172
 None
 0.91A 1ekjE-5odrF:
undetectable
1ekjF-5odrF:
undetectable		 1ekjE-5odrF:
19.44
1ekjF-5odrF:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5swc CARBONIC ANHYDRASE

(Synechocystis
sp. PCC 6803) 		PF00484
(Pro_CA) 		4 CYH A  39
ASP A  41
HIS A  98
GLY A 102
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.3A)
None
 0.17A 1ekjE-5swcA:
24.1
1ekjF-5swcA:
23.8		 1ekjE-5swcA:
29.51
1ekjF-5swcA:
29.51
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.
5us8 ARGININOSUCCINATE
SYNTHASE

(Bordetella
pertussis) 		PF00764
(Arginosuc_synth) 		4 ASP A  23
GLY A  21
GLY A  20
TYR A 183
 None
 0.95A 1ekjE-5us8A:
undetectable
1ekjF-5us8A:
undetectable		 1ekjE-5us8A:
20.00
1ekjF-5us8A:
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 ASP A 178
HIS A 142
GLY A 303
GLY A 302
 ZN  A 401 ( 2.3A)
None
None
None
 0.99A 1ekjE-5vi6A:
undetectable
1ekjF-5vi6A:
undetectable		 1ekjE-5vi6A:
19.74
1ekjF-5vi6A:
19.74
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 4 ASP A 482
HIS A 309
GLY A 477
GLY A 476
 None
 0.90A 1ekjE-5wabA:
undetectable
1ekjF-5wabA:
undetectable		 1ekjE-5wabA:
undetectable
1ekjF-5wabA:
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.
5wze AMINOPEPTIDASE P

(Pseudomonas
aeruginosa) 		no annotation 4 CYH A 263
GLY A 222
GLY A 223
TYR A 186
 None
 0.85A 1ekjE-5wzeA:
undetectable
1ekjF-5wzeA:
undetectable		 1ekjE-5wzeA:
undetectable
1ekjF-5wzeA:
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.
5x88 CUTINASE

(Malbranchea
cinnamomea) 		no annotation 4 ASP A 141
HIS A 119
GLY A 149
GLY A 148
 None
 0.91A 1ekjE-5x88A:
2.6
1ekjF-5x88A:
2.5		 1ekjE-5x88A:
undetectable
1ekjF-5x88A:
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.
5ze8 CYTOCHROME C552

(Thermochromatium
tepidum) 		no annotation 4 ASP A 269
GLY A 265
GLY A 266
GLN A  55
 None
 0.79A 1ekjE-5ze8A:
undetectable
1ekjF-5ze8A:
undetectable		 1ekjE-5ze8A:
undetectable
1ekjF-5ze8A:
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.
5ztp CARBONIC ANHYDRASE

(Glaciozyma
antarctica) 		no annotation 4 ASP A  40
HIS A  90
GLY A  63
GLY A  64
 SO4  A 201 (-3.5A)
SO4  A 201 (-3.0A)
SO4  A 201 ( 4.1A)
None
 0.97A 1ekjE-5ztpA:
13.7
1ekjF-5ztpA:
13.8		 1ekjE-5ztpA:
undetectable
1ekjF-5ztpA:
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.
5ztp CARBONIC ANHYDRASE

(Glaciozyma
antarctica) 		no annotation 4 CYH A  38
ASP A  40
HIS A  90
GLY A  94
 SO4  A 201 (-1.3A)
SO4  A 201 (-3.5A)
SO4  A 201 (-3.0A)
SO4  A 201 (-3.7A)
 0.46A 1ekjE-5ztpA:
13.7
1ekjF-5ztpA:
13.8		 1ekjE-5ztpA:
undetectable
1ekjF-5ztpA:
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.
5ztp CARBONIC ANHYDRASE

(Glaciozyma
antarctica) 		no annotation 4 CYH A  38
ASP A  40
HIS A  90
GLY A  94
 SO4  A 201 (-1.3A)
SO4  A 201 (-3.5A)
SO4  A 201 (-3.0A)
SO4  A 201 (-3.7A)
 0.99A 1ekjE-5ztpA:
13.7
1ekjF-5ztpA:
13.8		 1ekjE-5ztpA:
undetectable
1ekjF-5ztpA:
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.
6bgd GLUCOSE/GALACTOSE-BI
NDING LIPOPROTEIN

(Treponema
pallidum) 		no annotation 4 ASP A  91
GLY A  51
GLY A  52
TYR A 194
 EDO  A 401 (-3.8A)
EDO  A 401 ( 3.3A)
EDO  A 401 ( 4.8A)
EDO  A 401 (-3.7A)
 0.87A 1ekjE-6bgdA:
undetectable
1ekjF-6bgdA:
undetectable		 1ekjE-6bgdA:
undetectable
1ekjF-6bgdA:
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.
6bwm TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 2

(Oryctolagus
cuniculus) 		no annotation 4 GLY A 443
GLY A 442
GLN A 477
TYR A 401
 None
 0.98A 1ekjE-6bwmA:
undetectable
1ekjF-6bwmA:
undetectable		 1ekjE-6bwmA:
undetectable
1ekjF-6bwmA:
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.
6d2v TERB OXIDOREDUCTASE

(Streptomyces) 		no annotation 4 ASP A 215
HIS A 219
GLY A 238
GLY A 237
 None
 0.88A 1ekjE-6d2vA:
undetectable
1ekjF-6d2vA:
undetectable		 1ekjE-6d2vA:
undetectable
1ekjF-6d2vA:
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.
6fpe TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE

(Thermotoga
maritima) 		no annotation 4 ASP B 182
GLY B 178
GLY B 177
GLN B 236
 None
PEG  B 402 (-3.4A)
None
None
 0.98A 1ekjE-6fpeB:
undetectable
1ekjF-6fpeB:
undetectable		 1ekjE-6fpeB:
undetectable
1ekjF-6fpeB:
undetectable