SIMILAR PATTERNS OF AMINO ACIDS FOR 5M78_A_SALA304_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.
1brw PROTEIN (PYRIMIDINE
NUCLEOSIDE
PHOSPHORYLASE)

(Geobacillus
stearothermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 VAL A 197
LEU A  95
THR A  92
THR A  91
 None
None
PO4  A2001 (-3.3A)
None
 0.74A 5m78A-1brwA:
undetectable		 5m78A-1brwA:
10.27
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.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		4 HIS A  28
LEU A  74
THR A  75
THR A  76
 None
 0.87A 5m78A-1hvyA:
0.0		 5m78A-1hvyA:
14.71
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.
1imv PIGMENT
EPITHELIUM-DERIVED
FACTOR

(Homo sapiens) 		PF00079
(Serpin) 		4 VAL A  65
PHE A  41
LEU A 309
THR A 306
 None
 0.91A 5m78A-1imvA:
0.0		 5m78A-1imvA:
13.84
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.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		4 HIS C 323
LEU C 369
THR C 370
THR C 371
 None
 0.92A 5m78A-1j3jC:
0.0		 5m78A-1j3jC:
12.92
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.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 199
THR A 200
 AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
 0.45A 5m78A-1jd0A:
36.5		 5m78A-1jd0A:
14.13
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.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 200
 AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.3A)
 1.37A 5m78A-1jd0A:
36.5		 5m78A-1jd0A:
14.13
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.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 VAL A 143
LEU A 198
THR A 199
THR A 200
 AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
 0.92A 5m78A-1jd0A:
36.5		 5m78A-1jd0A:
14.13
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.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		6 GLN A  90
HIS A  92
VAL A 113
LEU A 176
THR A 177
THR A 178
 None
ZN  A 301 ( 3.2A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 0.24A 5m78A-1kopA:
29.6		 5m78A-1kopA:
16.29
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.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		5 GLN A  90
HIS A  92
VAL A 113
LEU A 176
THR A 178
 None
ZN  A 301 ( 3.2A)
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
 1.34A 5m78A-1kopA:
29.6		 5m78A-1kopA:
16.29
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.
1m4j A6 GENE PRODUCT

(Mus musculus) 		PF00241
(Cofilin_ADF) 		4 PHE A  17
LEU A 108
THR A 104
THR A 107
 None
 0.90A 5m78A-1m4jA:
undetectable		 5m78A-1m4jA:
21.38
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.
1m4x PBCV-1 VIRUS CAPSID

(Paramecium
bursaria
Chlorella virus
1) 		PF04451
(Capsid_NCLDV)
PF16903
(Capsid_N) 		4 VAL A 206
PHE A 155
LEU A 175
THR A  58
 None
 0.85A 5m78A-1m4xA:
undetectable		 5m78A-1m4xA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mqt POLYPROTEIN CAPSID
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		4 VAL C  53
PHE C  85
LEU C 116
THR C 117
 None
 0.94A 5m78A-1mqtC:
0.0		 5m78A-1mqtC:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o66 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE

(Neisseria
meningitidis) 		PF02548
(Pantoate_transf) 		4 VAL A 110
LEU A 125
THR A 122
THR A 121
 None
 0.89A 5m78A-1o66A:
undetectable		 5m78A-1o66A:
14.02
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.
1pmp P2 MYELIN PROTEIN

(Bos taurus) 		PF00061
(Lipocalin) 		4 GLN A  95
PHE A  70
THR A  53
THR A  60
 None
None
OLA  A 200 ( 4.7A)
None
 0.90A 5m78A-1pmpA:
undetectable		 5m78A-1pmpA:
20.83
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  94
LEU A 198
THR A 199
THR A 200
 None
ZN  A 601 ( 3.3A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 1.20A 5m78A-1rj6A:
37.2		 5m78A-1rj6A:
14.84
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 199
THR A 200
 AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 0.36A 5m78A-1rj6A:
37.2		 5m78A-1rj6A:
14.84
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 200
 AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 1.30A 5m78A-1rj6A:
37.2		 5m78A-1rj6A:
14.84
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 199
THR A 200
 None
ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
None
 0.37A 5m78A-1urtA:
36.6		 5m78A-1urtA:
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 200
 None
ZN  A 280 (-3.2A)
None
None
None
 1.41A 5m78A-1urtA:
36.6		 5m78A-1urtA:
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 VAL A 143
LEU A 198
THR A 199
THR A 200
 None
None
ZN  A 280 ( 4.9A)
None
 0.83A 5m78A-1urtA:
36.6		 5m78A-1urtA:
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		6 GLN A 113
HIS A 115
VAL A 137
LEU A 216
THR A 217
THR A 218
 None
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.35A 5m78A-1y7wA:
26.0		 5m78A-1y7wA:
15.56
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		5 GLN A 113
HIS A 115
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.39A 5m78A-1y7wA:
26.0		 5m78A-1y7wA:
15.56
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.
2aa4 PUTATIVE
N-ACETYLMANNOSAMINE
KINASE

(Escherichia
coli) 		PF00480
(ROK) 		4 GLN A  53
VAL A  49
LEU A  92
THR A  91
 None
 0.93A 5m78A-2aa4A:
undetectable		 5m78A-2aa4A:
13.51
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.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		4 HIS A  18
LEU A  66
THR A  67
THR A  68
 None
 0.84A 5m78A-2aazA:
undetectable		 5m78A-2aazA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2adu METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 VAL A 441
PHE A 415
LEU A 402
THR A 399
 None
 0.94A 5m78A-2aduA:
undetectable		 5m78A-2aduA:
12.54
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.
2b2n TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		no annotation 4 VAL A  43
PHE A 276
LEU A 113
THR A 112
 None
 0.87A 5m78A-2b2nA:
undetectable		 5m78A-2b2nA:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.82A 5m78A-2bf4A:
undetectable		 5m78A-2bf4A:
8.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bmy RIPENING-ASSOCIATED
PROTEIN

(Musa acuminata) 		PF01419
(Jacalin) 		4 VAL A  29
PHE A 124
LEU A  73
THR A  96
 None
 0.94A 5m78A-2bmyA:
undetectable		 5m78A-2bmyA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2efv HYPOTHETICAL PROTEIN
MJ0366

(Methanocaldococcus
jannaschii) 		PF10802
(DUF2540) 		4 HIS A  31
PHE A  15
LEU A  60
THR A  61
 None
 0.67A 5m78A-2efvA:
undetectable		 5m78A-2efvA:
23.40
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.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 GLN A  92
HIS A  94
LEU A 198
THR A 199
 None
ZN  A 561 ( 3.2A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
 0.64A 5m78A-2it4A:
41.0		 5m78A-2it4A:
22.58
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 HIS A 235
LEU A 281
THR A 282
THR A 283
 None
 0.92A 5m78A-2oipA:
undetectable		 5m78A-2oipA:
8.91
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.
2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 VAL A  91
PHE A 117
LEU A 206
THR A 205
 None
 0.93A 5m78A-2w2jA:
37.4		 5m78A-2w2jA:
14.69
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.
2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF07652
(Flavi_DEAD) 		4 VAL A 544
LEU A 270
THR A 267
THR A 266
 None
 0.92A 5m78A-2whxA:
undetectable		 5m78A-2whxA:
9.32
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.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 199
THR A 200
 None
ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
None
 0.24A 5m78A-2zncA:
31.9		 5m78A-2zncA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 200
 None
ZN  A   1 ( 3.3A)
None
None
None
 1.36A 5m78A-2zncA:
31.9		 5m78A-2zncA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 VAL A 143
LEU A 198
THR A 199
THR A 200
 None
None
ZN  A   1 ( 4.7A)
None
 0.81A 5m78A-2zncA:
31.9		 5m78A-2zncA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 GLN A 161
HIS A 163
VAL A 184
LEU A 259
THR A 260
THR A 261
 None
ZN  A 378 (-3.2A)
None
None
ZN  A 378 ( 4.5A)
None
 0.28A 5m78A-3b1bA:
25.1		 5m78A-3b1bA:
14.63
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.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  95
VAL A 122
PHE A 132
LEU A 199
THR A 200
 ZN  A 301 ( 3.6A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 0.59A 5m78A-3da2A:
42.4		 5m78A-3da2A:
26.51
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.
3fcy XYLAN ESTERASE 1

(Thermoanaerobacterium
saccharolyticum) 		PF05448
(AXE1) 		5 GLN A 119
HIS A  89
VAL A 116
PHE A 151
LEU A 187
 None
 1.40A 5m78A-3fcyA:
undetectable		 5m78A-3fcyA:
13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLN A 109
HIS A 111
VAL A 140
LEU A 219
THR A 220
 None
MG  A 901 (-3.4A)
None
None
None
 0.87A 5m78A-3fe4A:
31.1		 5m78A-3fe4A:
17.84
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.
3fse TWO-DOMAIN PROTEIN
CONTAINING
DJ-1/THIJ/PFPI-LIKE
AND FERRITIN-LIKE
DOMAINS

(Trichormus
variabilis) 		PF01965
(DJ-1_PfpI)
PF09537
(DUF2383) 		4 GLN A  34
LEU A 173
THR A 170
THR A 169
 None
 0.81A 5m78A-3fseA:
undetectable		 5m78A-3fseA:
12.15
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.
3jv3 INTERSECTIN-1

(Mus musculus) 		PF00621
(RhoGEF)
PF14604
(SH3_9) 		4 VAL A1177
LEU A1204
THR A1205
THR A1206
 None
 0.78A 5m78A-3jv3A:
undetectable		 5m78A-3jv3A:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		4 HIS A   7
LEU A  54
THR A  55
THR A  56
 None
 0.90A 5m78A-3kgbA:
undetectable		 5m78A-3kgbA:
14.44
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) 		7 GLN A  92
HIS A  94
VAL A 121
PHE A 131
LEU A 198
THR A 199
THR A 200
 AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-4.7A)
AZM  A 264 (-4.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 0.25A 5m78A-3ml5A:
42.9		 5m78A-3ml5A:
56.10
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) 		4 VAL A 143
LEU A 198
THR A 199
THR A 200
 AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 0.89A 5m78A-3ml5A:
42.9		 5m78A-3ml5A:
56.10
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.
3nr3 PMP2 PROTEIN

(Homo sapiens) 		PF00061
(Lipocalin) 		4 GLN A  96
PHE A  71
THR A  54
THR A  61
 None
None
PLM  A 901 ( 4.6A)
None
 0.91A 5m78A-3nr3A:
undetectable		 5m78A-3nr3A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvq SEMAPHORIN-7A

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI)
PF13895
(Ig_2) 		5 VAL A 324
PHE A 402
LEU A 429
THR A 430
THR A 431
 None
 1.45A 5m78A-3nvqA:
undetectable		 5m78A-3nvqA:
9.40
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.
3puk SYNTAXIN-BINDING
PROTEIN 3

(Mus musculus) 		PF00995
(Sec1) 		4 PHE A  23
LEU A  45
THR A  42
THR A  41
 None
 0.62A 5m78A-3pukA:
undetectable		 5m78A-3pukA:
7.69
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 GLN A 121
HIS A 123
VAL A 144
LEU A 214
THR A 215
THR A 216
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 0.37A 5m78A-3q31A:
24.5		 5m78A-3q31A:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 HIS A 323
LEU A 369
THR A 370
THR A 371
 None
 0.94A 5m78A-3um6A:
undetectable		 5m78A-3um6A:
8.43
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) 		6 GLN A  92
HIS A  94
VAL A 121
PHE A 130
THR A 198
THR A 199
 None
ZN  A 261 (-3.3A)
None
None
ZN  A 261 ( 4.4A)
None
 0.29A 5m78A-3uyqA:
41.1		 5m78A-3uyqA:
40.57
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) 		5 GLN A  92
HIS A  94
VAL A 121
PHE A 130
THR A 199
 None
ZN  A 261 (-3.3A)
None
None
None
 1.04A 5m78A-3uyqA:
41.1		 5m78A-3uyqA:
40.57
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.
3vse PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10672
(Methyltrans_SAM) 		4 PHE A 134
LEU A  64
THR A  65
THR A  50
 None
 0.88A 5m78A-3vseA:
undetectable		 5m78A-3vseA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbg FATTY ACID-BINDING
PROTEIN, HEART

(Homo sapiens) 		PF00061
(Lipocalin) 		4 GLN A  95
PHE A  70
THR A  53
THR A  60
 None
None
2AN  A 201 ( 4.0A)
None
 0.95A 5m78A-3wbgA:
undetectable		 5m78A-3wbgA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		4 GLN A 129
PHE A 144
THR A 135
THR A 136
 None
 0.87A 5m78A-3zq6A:
undetectable		 5m78A-3zq6A:
12.75
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.
4fkz UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
subtilis) 		PF02350
(Epimerase_2) 		4 VAL A  93
PHE A  85
THR A 102
THR A 101
 None
 0.86A 5m78A-4fkzA:
undetectable		 5m78A-4fkzA:
11.14
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.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		6 GLN A  87
HIS A  89
VAL A 110
LEU A 173
THR A 174
THR A 175
 AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.7A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
 0.35A 5m78A-4g7aA:
29.9		 5m78A-4g7aA:
14.57
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.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		5 GLN A  87
HIS A  89
VAL A 110
LEU A 173
THR A 175
 AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.7A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
 1.37A 5m78A-4g7aA:
29.9		 5m78A-4g7aA:
14.57
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.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		4 VAL A 120
LEU A 173
THR A 174
THR A 175
 AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
 0.91A 5m78A-4g7aA:
29.9		 5m78A-4g7aA:
14.57
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.
4l3a INTERNALIN K

(Listeria
monocytogenes) 		no annotation 4 VAL A 510
PHE A 478
LEU A 484
THR A 453
 None
 0.78A 5m78A-4l3aA:
undetectable		 5m78A-4l3aA:
9.03
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
HIS A  94
VAL A 121
PHE A 131
LEU A 198
THR A 199
 None
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 ( 4.4A)
 1.39A 5m78A-4qk3A:
44.2		 5m78A-4qk3A:
100.00
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) 		7 GLN A  92
HIS A  94
VAL A 121
PHE A 131
LEU A 198
THR A 199
THR A 200
 None
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 ( 4.4A)
None
 0.19A 5m78A-4qk3A:
44.2		 5m78A-4qk3A:
100.00
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) 		4 VAL A 143
LEU A 198
THR A 199
THR A 200
 None
None
ZN  A 301 ( 4.4A)
None
 0.92A 5m78A-4qk3A:
44.2		 5m78A-4qk3A:
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.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		4 VAL A 493
LEU A 118
THR A 115
THR A 114
 None
 0.93A 5m78A-4r1zA:
undetectable		 5m78A-4r1zA:
11.68
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.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		6 GLN A 110
HIS A 112
VAL A 133
LEU A 197
THR A 198
THR A 199
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
None
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
 0.28A 5m78A-4uovA:
31.2		 5m78A-4uovA:
17.41
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.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		5 GLN A 110
HIS A 112
VAL A 133
LEU A 197
THR A 199
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
None
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
 1.46A 5m78A-4uovA:
31.2		 5m78A-4uovA:
17.41
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.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		4 VAL A 143
LEU A 197
THR A 198
THR A 199
 AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
 0.91A 5m78A-4uovA:
31.2		 5m78A-4uovA:
17.41
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		6 GLN A  87
HIS A  89
VAL A 110
LEU A 173
THR A 174
THR A 175
 AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
 0.31A 5m78A-4x5sA:
30.0		 5m78A-4x5sA:
16.59
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		5 GLN A  87
HIS A  89
VAL A 110
LEU A 173
THR A 175
 AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
 1.43A 5m78A-4x5sA:
30.0		 5m78A-4x5sA:
16.59
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		5 HIS A  89
VAL A 120
LEU A 173
THR A 174
THR A 175
 ZN  A 301 ( 3.1A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
 1.15A 5m78A-4x5sA:
30.0		 5m78A-4x5sA:
16.59
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.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		4 HIS A 110
VAL A 131
LEU A 190
THR A 191
 ZN  A 301 (-3.3A)
None
None
ZN  A 301 (-4.3A)
 0.28A 5m78A-4xfwA:
26.6		 5m78A-4xfwA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 GLN A 158
HIS A 160
VAL A 181
LEU A 253
THR A 254
THR A 255
 None
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
 0.35A 5m78A-4xixA:
26.0		 5m78A-4xixA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		6 GLN A 163
HIS A 165
VAL A 186
LEU A 251
THR A 252
THR A 253
 None
ZN  A 401 ( 3.2A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
 0.32A 5m78A-4xz5A:
29.7		 5m78A-4xz5A:
16.09
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.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		5 GLN A 163
HIS A 165
VAL A 186
LEU A 251
THR A 253
 None
ZN  A 401 ( 3.2A)
None
BCT  A 402 (-3.8A)
BCT  A 402 ( 4.4A)
 1.38A 5m78A-4xz5A:
29.7		 5m78A-4xz5A:
16.09
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.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		4 VAL A 196
LEU A 251
THR A 252
THR A 253
 None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
 0.93A 5m78A-4xz5A:
29.7		 5m78A-4xz5A:
16.09
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.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 199
THR A 200
 GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 0.37A 5m78A-5cjfA:
36.6		 5m78A-5cjfA:
15.18
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.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 200
 GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
GOL  A 303 ( 3.5A)
 1.34A 5m78A-5cjfA:
36.6		 5m78A-5cjfA:
15.18
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.
5dld UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Burkholderia
vietnamiensis) 		PF02350
(Epimerase_2) 		4 VAL A  91
PHE A  83
THR A 100
THR A  99
 None
 0.72A 5m78A-5dldA:
undetectable		 5m78A-5dldA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e5u RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 PHE A 187
LEU A 256
THR A 257
THR A 258
 None
 0.73A 5m78A-5e5uA:
34.1		 5m78A-5e5uA:
14.39
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.
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 VAL A 197
LEU A  95
THR A  92
THR A  91
 VAL  A 197 ( 0.6A)
LEU  A  95 ( 0.6A)
THR  A  92 (-0.8A)
THR  A  91 ( 0.8A)
 0.75A 5m78A-5ep8A:
undetectable		 5m78A-5ep8A:
14.95
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) 		7 GLN X  91
HIS X  93
VAL X 120
PHE X 129
LEU X 196
THR X 197
THR X 198
 None
ZN  X 301 (-3.2A)
None
None
None
ZN  X 301 ( 4.4A)
None
 0.17A 5m78A-5eztX:
44.4		 5m78A-5eztX:
76.39
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
HIS X  93
VAL X 120
PHE X 129
LEU X 196
THR X 198
 None
ZN  X 301 (-3.2A)
None
None
None
None
 1.29A 5m78A-5eztX:
44.4		 5m78A-5eztX:
76.39
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) 		4 VAL X 141
LEU X 196
THR X 197
THR X 198
 None
None
ZN  X 301 ( 4.4A)
None
 0.89A 5m78A-5eztX:
44.4		 5m78A-5eztX:
76.39
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.
5fo3 CELL DIVISION
PROTEIN ZAPC

(Escherichia
coli) 		PF07126
(ZapC) 		4 GLN A 142
VAL A 145
LEU A 117
THR A 120
 None
 0.95A 5m78A-5fo3A:
undetectable		 5m78A-5fo3A:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		4 HIS A  52
LEU A  98
THR A  99
THR A 100
 None
 0.91A 5m78A-5h3aA:
undetectable		 5m78A-5h3aA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		6 GLN A  94
HIS A  96
VAL A 117
LEU A 181
THR A 182
THR A 183
 None
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
None
 0.26A 5m78A-5hpjA:
29.4		 5m78A-5hpjA:
18.69
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.
5jb1 MAJOR CAPSID PROTEIN
L1

(Alphapapillomavirus
7) 		PF00500
(Late_protein_L1) 		4 VAL A 333
PHE A 371
THR A 336
THR A 337
 None
 0.94A 5m78A-5jb1A:
undetectable		 5m78A-5jb1A:
12.16
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 199
THR A 200
 EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
EZL  A 302 (-4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
 0.22A 5m78A-5jn9A:
33.4		 5m78A-5jn9A:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  94
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.3A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
 1.19A 5m78A-5jn9A:
33.4		 5m78A-5jn9A:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jow NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43A

(Bacteroides
ovatus) 		PF04616
(Glyco_hydro_43) 		4 VAL A 119
PHE A 117
LEU A  75
THR A  76
 None
 0.93A 5m78A-5jowA:
undetectable		 5m78A-5jowA:
11.49
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		4 VAL A 492
PHE A 407
LEU A 461
THR A 462
 None
 0.93A 5m78A-5jwfA:
undetectable		 5m78A-5jwfA:
8.58
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.
5thk PUTATIVE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		4 GLN A  67
LEU A  70
THR A  71
THR A  72
 None
NAP  A 300 (-4.1A)
NAP  A 300 (-3.8A)
None
 0.89A 5m78A-5thkA:
undetectable		 5m78A-5thkA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7k LIPASE B

(Serratia
marcescens) 		no annotation 4 VAL A 351
PHE A 353
LEU A 374
THR A 373
 None
 0.92A 5m78A-5x7kA:
undetectable		 5m78A-5x7kA:
16.10
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.
5xwu LEUCINE-RICH REPEAT
AND FIBRONECTIN TYPE
III
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		no annotation 4 GLN B 132
VAL B 104
PHE B 109
LEU B 120
 None
 0.84A 5m78A-5xwuB:
undetectable		 5m78A-5xwuB:
19.57
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.
6acd -

(-) 		no annotation 4 VAL A 562
PHE A 529
LEU A 538
THR A 539
 None
 0.91A 5m78A-6acdA:
undetectable		 5m78A-6acdA:
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.
6cet GATOR COMPLEX
PROTEIN DEPDC5
GATOR COMPLEX
PROTEIN NPRL2

(Homo sapiens) 		no annotation 4 VAL D 340
LEU N 191
THR N 192
THR N 193
 None
 0.86A 5m78A-6cetD:
undetectable		 5m78A-6cetD:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 6 GLN A 115
HIS A 117
VAL A 138
LEU A 201
THR A 202
THR A 203
 None
ZN  A 301 (-3.3A)
None
None
ZN  A 301 (-4.4A)
None
 0.28A 5m78A-6ekiA:
30.0		 5m78A-6ekiA:
32.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 6 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 199
THR A 200
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
V14  A 302 (-4.7A)
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
 0.34A 5m78A-6fe1A:
33.7		 5m78A-6fe1A:
33.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 5 GLN A  92
HIS A  94
VAL A 121
LEU A 198
THR A 200
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
V14  A 302 (-4.7A)
V14  A 302 (-3.6A)
V14  A 302 (-3.5A)
 1.49A 5m78A-6fe1A:
33.7		 5m78A-6fe1A:
33.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 4 VAL A 143
LEU A 198
THR A 199
THR A 200
 None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
 0.83A 5m78A-6fe1A:
33.7		 5m78A-6fe1A:
33.72