SIMILAR PATTERNS OF AMINO ACIDS FOR 5X7F_A_SAMA301

List of similar pattern of amino acids derived from ASSAM search

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

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

(Human
betaherpesvirus
5) 		PF00716
(Peptidase_S21) 		5 GLY A 168
GLY A 130
GLY A 164
ALA A 171
TYR A 173
 None
 0.90A 5x7fA-1cmvA:
undetectable		 5x7fA-1cmvA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fy1 HEPARIN-BINDING
PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 176
GLY A 127
ALA A   7
GLN A  11
ALA A 126
 None
 1.20A 5x7fA-1fy1A:
undetectable		 5x7fA-1fy1A:
25.19
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.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 122
GLY A 128
VAL A  89
ILE A 120
ALA A 210
 None
 1.06A 5x7fA-1gz7A:
undetectable		 5x7fA-1gz7A:
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.
1i5a CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c) 		5 GLY A 430
GLY A 414
GLY A 451
GLU A 448
ALA A 410
 None
ACP  A 998 (-3.4A)
None
None
ACP  A 998 (-4.1A)
 1.20A 5x7fA-1i5aA:
undetectable		 5x7fA-1i5aA:
25.00
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		7 VAL A 159
GLY A 178
GLY A 180
VAL A 185
ILE A 202
GLN A 252
ALA A 244
 None
NAD  A1250 (-3.6A)
NAD  A1250 (-3.4A)
None
NAD  A1250 (-4.1A)
None
NAD  A1250 (-3.4A)
 1.45A 5x7fA-1lluA:
8.6		 5x7fA-1lluA:
24.51
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.
1lnz SPO0B-ASSOCIATED
GTP-BINDING PROTEIN

(Bacillus
subtilis) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 GLY A  79
GLY A  41
GLY A  16
ALA A  66
ALA A  82
 None
 0.84A 5x7fA-1lnzA:
undetectable		 5x7fA-1lnzA:
23.03
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.
1nlu SEDOLISIN

(Pseudomonas sp.) 		no annotation 5 GLY A 295
GLY A  94
GLY A  90
ALA A  55
ALA A  95
 None
 0.97A 5x7fA-1nluA:
undetectable		 5x7fA-1nluA:
21.25
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 VAL A 376
GLY A 348
GLY A 338
ILE A 284
ALA A 347
 None
None
MAP  A 450 (-3.2A)
None
None
 0.91A 5x7fA-1qpgA:
3.6		 5x7fA-1qpgA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rvv RIBOFLAVIN SYNTHASE

(Bacillus
subtilis) 		no annotation 5 GLY A  79
VAL A  81
GLY A 114
ILE A  75
ALA A 103
 None
INI  A 200 (-3.2A)
None
None
None
 1.02A 5x7fA-1rvvA:
undetectable		 5x7fA-1rvvA:
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.
1sq1 CHORISMATE SYNTHASE

(Campylobacter
jejuni) 		PF01264
(Chorismate_synt) 		5 GLY A  31
GLY A  67
GLY A  75
ILE A  25
ALA A  79
 None
SO4  A 402 (-3.5A)
None
None
None
 0.91A 5x7fA-1sq1A:
undetectable		 5x7fA-1sq1A:
20.49
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 GLY A  87
ILE A 112
ALA A 140
ALA A 164
TYR A 172
 SAH  A 301 (-3.4A)
SAH  A 301 (-4.0A)
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
None
 0.50A 5x7fA-1susA:
24.9		 5x7fA-1susA:
25.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF04107
(GCS2) 		5 GLY A  97
GLY A 134
VAL A 132
ILE A  16
ALA A  62
 None
 1.18A 5x7fA-1tt4A:
undetectable		 5x7fA-1tt4A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1us4 PUTATIVE GLUR0
LIGAND BINDING CORE

(Thermus
thermophilus) 		PF16868
(NMT1_3) 		5 VAL A  35
VAL A  31
ILE A  64
ALA A  66
ALA A  75
 None
GLU  A1313 (-3.8A)
None
None
None
 1.19A 5x7fA-1us4A:
undetectable		 5x7fA-1us4A:
25.08
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.
1vdh MUCONOLACTONE
ISOMERASE-LIKE
PROTEIN

(Thermus
thermophilus) 		PF06778
(Chlor_dismutase) 		5 VAL A 186
GLY A 189
VAL A 112
GLU A 197
TYR A 106
 None
 1.24A 5x7fA-1vdhA:
undetectable		 5x7fA-1vdhA:
22.79
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.
1vs1 3-DEOXY-7-PHOSPHOHEP
TULONATE SYNTHASE

(Aeropyrum
pernix) 		PF00793
(DAHP_synth_1) 		5 GLY A 238
GLY A 231
GLU A 180
ALA A 218
GLN A 256
 None
None
None
None
MN  A 301 ( 4.9A)
 0.94A 5x7fA-1vs1A:
undetectable		 5x7fA-1vs1A:
25.76
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 VAL A 163
GLY A 156
GLY A 152
VAL A 150
ALA A 155
 None
 1.24A 5x7fA-2c7bA:
2.5		 5x7fA-2c7bA:
23.38
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.
2ekc TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Aquifex
aeolicus) 		PF00290
(Trp_syntA) 		5 GLY A 259
GLY A 230
GLY A 225
ALA A  18
ASP A  46
 None
 1.25A 5x7fA-2ekcA:
undetectable		 5x7fA-2ekcA:
23.16
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.
2f9z CHEMOTAXIS PROTEIN
CHEC
PROTEIN (CHEMOTAXIS
METHYLATION PROTEIN)

(Thermotoga
maritima;
Thermotoga
maritima) 		PF04509
(CheC)
PF03975
(CheD) 		5 GLY C 126
GLY C  25
GLY C  88
ALA A 150
ASP A 143
 None
 1.18A 5x7fA-2f9zC:
undetectable		 5x7fA-2f9zC:
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.
2h9f HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF04303
(PrpF) 		5 GLY A  21
GLY A 110
GLY A  16
ALA A 147
ALA A 111
 None
 1.03A 5x7fA-2h9fA:
undetectable		 5x7fA-2h9fA:
22.69
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.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 VAL A 178
GLY A 149
GLY A 151
VAL A 141
ALA A 148
 None
 0.86A 5x7fA-2ip4A:
4.9		 5x7fA-2ip4A:
24.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 392
GLY A 234
GLY A 212
VAL A 206
ILE A 400
 6NA  A1462 ( 4.3A)
None
None
None
None
 1.18A 5x7fA-2ix4A:
undetectable		 5x7fA-2ix4A:
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.
2jf3 ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 VAL A 171
GLY A 166
ALA A 248
ALA A 167
ASP A 149
 None
 1.25A 5x7fA-2jf3A:
undetectable		 5x7fA-2jf3A:
21.93
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.
2qc3 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Mycobacterium
tuberculosis) 		PF00698
(Acyl_transf_1) 		5 VAL A  64
GLY A  89
VAL A  92
ILE A  86
ALA A 219
 None
None
ACY  A 500 (-3.4A)
None
None
 0.95A 5x7fA-2qc3A:
undetectable		 5x7fA-2qc3A:
26.73
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.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		5 VAL A 774
GLY A 759
GLY A 756
ALA A 761
TYR A 857
 None
 1.17A 5x7fA-2qmaA:
2.8		 5x7fA-2qmaA:
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A 196
GLY A 181
GLY A 185
ILE A 112
ALA A 179
 None
 1.21A 5x7fA-2r9hA:
undetectable		 5x7fA-2r9hA:
22.00
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.
2vaw CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 106
GLY A 104
VAL A  19
ALA A 147
ASP A 148
 GDP  A1317 ( 4.0A)
GDP  A1317 (-3.1A)
None
None
None
 1.21A 5x7fA-2vawA:
4.1		 5x7fA-2vawA:
23.12
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 VAL A 372
GLY A   4
GLY A 365
ALA A 229
GLN A 223
 None
None
None
None
OMT  A2473 (-4.3A)
 0.97A 5x7fA-2vdcA:
undetectable		 5x7fA-2vdcA:
10.42
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 VAL A 372
GLY A   4
GLY A 366
ALA A 229
GLN A 223
 None
None
None
None
OMT  A2473 (-4.3A)
 0.72A 5x7fA-2vdcA:
undetectable		 5x7fA-2vdcA:
10.42
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.
2vid SERINE PROTEASE SPLB

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		5 VAL A 138
GLY A 170
GLY A 187
GLU A  76
TYR A 106
 None
 1.23A 5x7fA-2vidA:
undetectable		 5x7fA-2vidA:
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		5 GLY A 376
GLY A 148
GLY A 146
ILE A 105
ALA A 151
 None
 1.01A 5x7fA-2z5lA:
8.1		 5x7fA-2z5lA:
25.15
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.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		5 GLY A 173
GLY A 328
GLY A 325
VAL A 320
ILE A 350
 None
 1.21A 5x7fA-3b9yA:
undetectable		 5x7fA-3b9yA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		5 GLY A 332
GLY A 165
GLY A 275
ALA A 168
TYR A 142
 None
 1.19A 5x7fA-3b9yA:
undetectable		 5x7fA-3b9yA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gux PUTATIVE
ZN-DEPENDENT
EXOPEPTIDASE

(Bacteroides
vulgatus) 		PF04389
(Peptidase_M28) 		5 GLY A 226
GLY A 155
GLY A 153
ILE A 160
ALA A  49
 None
 0.94A 5x7fA-3guxA:
undetectable		 5x7fA-3guxA:
21.34
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.
3jru PROBABLE CYTOSOL
AMINOPEPTIDASE

(Xanthomonas
oryzae) 		no annotation 5 GLY B 288
GLY B 261
VAL B 311
ALA B 464
ASP B 285
 None
None
None
None
ZN  B 631 (-2.8A)
 1.16A 5x7fA-3jruB:
2.0		 5x7fA-3jruB:
24.63
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.
3k17 LIN0012 PROTEIN

(Listeria
innocua) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 313
GLY A 311
GLN A 284
ALA A 303
ASP A 304
 None
 1.19A 5x7fA-3k17A:
undetectable		 5x7fA-3k17A:
23.01
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY A4100
GLY A4048
ALA A4155
ALA A4101
ASP A4068
 None
 1.19A 5x7fA-3kciA:
undetectable		 5x7fA-3kciA:
24.74
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.
3krt CROTONYL COA
REDUCTASE

(Streptomyces
coelicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 408
GLY A 415
VAL A 417
ALA A 214
GLN A 217
 None
 1.19A 5x7fA-3krtA:
5.2		 5x7fA-3krtA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgx D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Streptococcus
pyogenes) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 320
ILE A 289
GLU A 305
ALA A 291
ASP A 175
 None
 1.18A 5x7fA-3lgxA:
undetectable		 5x7fA-3lgxA:
18.92
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.
3mhu DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
major) 		PF01180
(DHO_dh) 		5 GLY A 200
VAL A 202
GLY A 222
GLY A 220
ILE A 194
 None
GOL  A 315 (-3.6A)
FMN  A 313 (-3.6A)
EJZ  A 314 ( 4.8A)
None
 0.76A 5x7fA-3mhuA:
undetectable		 5x7fA-3mhuA:
25.93
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.
3nx4 PUTATIVE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 321
GLY A  62
ILE A  53
GLU A  92
ALA A  44
 None
 1.00A 5x7fA-3nx4A:
7.2		 5x7fA-3nx4A:
24.47
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.
3o31 THERMONICOTIANAMINE
SYNTHASE

(Methanothermobacter
thermautotrophicus) 		PF03059
(NAS) 		5 GLY A 130
GLY A 132
ILE A 154
GLU A 155
ALA A 198
 None
 0.58A 5x7fA-3o31A:
12.0		 5x7fA-3o31A:
24.03
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.
3oix PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE
DIHYDROOROTATE
OXIDASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		5 GLY A 199
VAL A 201
GLY A 219
GLY A 217
ILE A 193
 None
None
FMN  A 400 (-3.7A)
None
None
 0.75A 5x7fA-3oixA:
undetectable		 5x7fA-3oixA:
26.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 237
GLY A 337
GLY A 191
VAL A 104
ALA A 339
 None
 0.85A 5x7fA-3oytA:
undetectable		 5x7fA-3oytA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0l STEROIDOGENIC ACUTE
REGULATORY PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF01852
(START) 		5 GLY A 201
VAL A 185
GLU A  81
ALA A  86
ALA A 200
 None
 1.18A 5x7fA-3p0lA:
undetectable		 5x7fA-3p0lA:
22.64
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.
3qlj SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 GLY A  17
GLY A  13
GLY A  15
ILE A  38
ALA A 101
 None
 1.11A 5x7fA-3qljA:
7.9		 5x7fA-3qljA:
27.14
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.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		5 GLY A 223
GLY A 153
GLY A 151
ILE A 158
ALA A  47
 None
 0.97A 5x7fA-3tc8A:
undetectable		 5x7fA-3tc8A:
23.27
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.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A   9
GLY A  12
VAL A  17
ALA A  57
ALA A  72
 None
SO4  A 406 (-3.5A)
None
None
None
 0.81A 5x7fA-3tz6A:
undetectable		 5x7fA-3tz6A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqu CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 GLY A 232
GLY A 324
GLY A 208
ILE A 205
ALA A 327
 ATP  A 501 (-3.5A)
ATP  A 501 ( 3.8A)
ATP  A 501 (-3.4A)
None
None
 1.06A 5x7fA-3wquA:
undetectable		 5x7fA-3wquA:
20.76
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.
3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1

(Yersinia pestis) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 VAL A  24
GLY A  54
GLY A  52
GLN A 134
ALA A  57
 None
NA  A1402 (-3.5A)
NAI  A1400 (-3.5A)
None
None
 1.25A 5x7fA-3zu4A:
7.2		 5x7fA-3zu4A:
23.37
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A1087
GLY A1265
GLY A1263
ALA A1203
GLN A1206
 MTE  A3003 (-2.8A)
MTE  A3003 ( 4.2A)
None
None
None
 1.23A 5x7fA-3zyvA:
undetectable		 5x7fA-3zyvA:
10.73
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.
4bem F1FO ATPASE C2
SUBUNIT
F1FO ATPASE C1
SUBUNIT

(Acetobacterium
woodii;
Acetobacterium
woodii) 		PF00137
(ATP-synt_C)
PF00137
(ATP-synt_C) 		5 GLY J 122
GLY J 128
GLY J 126
VAL J  40
ALA A  33
 None
 1.16A 5x7fA-4bemJ:
undetectable		 5x7fA-4bemJ:
22.08
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.
4d4z DEOXYHYPUSINE
HYDROXYLASE

(Homo sapiens) 		PF13646
(HEAT_2) 		5 GLY A  96
GLY A  63
VAL A 147
GLN A  83
ALA A  91
 None
None
None
B3P  A 306 (-3.8A)
None
 1.24A 5x7fA-4d4zA:
undetectable		 5x7fA-4d4zA:
26.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eex ALCOHOL
DEHYDROGENASE 1

(Lactococcus
lactis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 171
GLY A 173
ILE A 196
GLN A 248
ALA A 240
 None
 0.89A 5x7fA-4eexA:
9.0		 5x7fA-4eexA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fuu LEUCINE
AMINOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF04389
(Peptidase_M28) 		5 GLY A 226
GLY A 155
GLY A 153
ILE A 160
ALA A  49
 None
 0.94A 5x7fA-4fuuA:
undetectable		 5x7fA-4fuuA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gz8 SEMAPHORIN-3A

(Mus musculus) 		PF01403
(Sema) 		5 GLY A 167
GLY A 165
GLN A 215
ALA A 192
ASP A 193
 None
 1.21A 5x7fA-4gz8A:
undetectable		 5x7fA-4gz8A:
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.
4h3t CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Acidimicrobium
ferrooxidans) 		PF09481
(CRISPR_Cse1) 		5 GLY A 192
GLY A 283
GLY A 259
VAL A 286
ALA A 282
 GOL  A 602 ( 4.8A)
None
None
GOL  A 602 (-3.6A)
None
 1.23A 5x7fA-4h3tA:
undetectable		 5x7fA-4h3tA:
22.14
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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  63
GLY A 116
VAL A 141
GLU A 119
ALA A 121
 None
 1.18A 5x7fA-4ilkA:
8.3		 5x7fA-4ilkA:
26.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		5 GLY A  30
VAL A  28
GLY A 117
GLU A  43
ALA A  47
 None
 1.23A 5x7fA-4ixuA:
3.0		 5x7fA-4ixuA:
24.84
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.
4jxk OXIDOREDUCTASE

(Rhodococcus
opacus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 307
GLY A 100
GLY A  65
VAL A  42
ALA A 102
 None
None
None
EDO  A 402 (-4.8A)
None
 1.15A 5x7fA-4jxkA:
7.5		 5x7fA-4jxkA:
23.10
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.
4lsw D-2-HYDROXYACID
DEHYDROGENSASE
PROTEIN

(Ketogulonicigenium
vulgare) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 149
GLY A 152
VAL A 188
ILE A 156
ALA A 206
 None
 1.24A 5x7fA-4lswA:
6.4		 5x7fA-4lswA:
24.55
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.
4nwz FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Caldalkalibacillus
thermarum) 		PF07992
(Pyr_redox_2) 		5 GLY A 264
VAL A 262
GLY A 298
GLY A 108
ALA A 301
 None
None
FAD  A 601 (-3.0A)
FAD  A 601 (-3.3A)
None
 1.03A 5x7fA-4nwzA:
3.5		 5x7fA-4nwzA:
21.03
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.
4ote LIPOPROTEIN

(Clostridioides
difficile) 		PF03180
(Lipoprotein_9) 		5 GLY A 259
ALA A 200
ALA A 207
ASP A 206
TYR A 114
 None
 1.15A 5x7fA-4oteA:
undetectable		 5x7fA-4oteA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0m L-ASPARAGINASE

(Pyrococcus
furiosus) 		PF00710
(Asparaginase) 		5 GLY A 288
GLY A 235
VAL A 258
ALA A 234
TYR A 273
 None
 1.14A 5x7fA-4q0mA:
undetectable		 5x7fA-4q0mA:
22.73
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.
4rf7 ARGININE KINASE

(Anthopleura
japonica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 GLY A 555
GLY A 426
GLY A 495
ALA A 425
TYR A 431
 None
 1.20A 5x7fA-4rf7A:
undetectable		 5x7fA-4rf7A:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 5 GLY A 520
GLY A 555
ALA A 523
ASP A 486
TYR A 499
 EDO  A 701 (-2.6A)
None
None
EDO  A 701 ( 4.9A)
None
 1.09A 5x7fA-4tz5A:
undetectable		 5x7fA-4tz5A:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u39 CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  18
VAL A 101
GLY A 104
GLY A  20
ASP A 187
 None
None
None
PO4  A 401 (-3.3A)
None
 1.19A 5x7fA-4u39A:
4.0		 5x7fA-4u39A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uf4 CARBOXYPEPTIDASE A1

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 GLY A 260
GLY A 265
GLY A 262
ALA A 360
TYR A 358
 None
None
None
O2V  A1419 ( 3.7A)
O2V  A1419 (-4.6A)
 0.81A 5x7fA-4uf4A:
undetectable		 5x7fA-4uf4A:
20.75
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.
4wxj GLUTAMATE RECEPTOR
IIB,GLUTAMATE
RECEPTOR IIB

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 GLY A 184
VAL A 188
GLY A 143
ALA A 176
ASP A 175
 None
 0.93A 5x7fA-4wxjA:
undetectable		 5x7fA-4wxjA:
22.84
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.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		5 GLY A 200
VAL A 202
GLY A 222
GLY A 220
ILE A 194
 None
None
FMN  A 401 ( 3.9A)
None
None
 0.80A 5x7fA-4wzhA:
undetectable		 5x7fA-4wzhA:
28.17
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  12
GLY A  14
VAL A  19
ALA A 235
ALA A 275
 FAD  A 601 (-3.3A)
FAD  A 601 (-3.4A)
None
FAD  A 601 (-3.5A)
FAD  A 601 (-3.8A)
 0.96A 5x7fA-4ynuA:
4.5		 5x7fA-4ynuA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 GLY A 309
GLY A 284
GLY A 257
ALA A 464
ASP A 281
 None
None
None
None
ZN  A 501 (-2.4A)
 0.92A 5x7fA-4zi6A:
undetectable		 5x7fA-4zi6A:
20.28
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.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 GLY A  45
VAL A 111
GLY A  49
GLY A  47
ALA A  80
 SAH  A 301 (-3.6A)
SAH  A 301 (-4.1A)
None
SAH  A 301 (-3.5A)
None
 0.86A 5x7fA-5bp7A:
12.5		 5x7fA-5bp7A:
26.46
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.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		5 GLY A 302
GLY A 321
GLY A 319
GLN A  48
ALA A 324
 None
 1.17A 5x7fA-5cd2A:
undetectable		 5x7fA-5cd2A:
19.69
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.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		5 GLY A 302
GLY A 321
GLY A 319
GLU A 349
ALA A 324
 None
 0.86A 5x7fA-5cd2A:
undetectable		 5x7fA-5cd2A:
19.69
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.
5edl PUTATIVE
HMP/THIAMINE
PERMEASE PROTEIN
YKOE

(Bacillus
subtilis) 		PF09819
(ABC_cobalt) 		5 GLY A 120
GLY A  96
GLY A  98
VAL A 102
ILE A  91
 None
None
MPG  A 203 ( 4.1A)
None
VIB  A 201 ( 4.2A)
 0.95A 5x7fA-5edlA:
undetectable		 5x7fA-5edlA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 GLY A  44
VAL A 110
GLY A  48
GLY A  46
ALA A  79
 SAH  A 301 (-3.6A)
SAH  A 301 (-4.2A)
None
SAH  A 301 (-3.4A)
None
 0.84A 5x7fA-5epeA:
11.3		 5x7fA-5epeA:
25.27
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 GLY A 278
VAL A 276
GLY A 331
VAL A 350
ALA A 330
 None
 1.17A 5x7fA-5fg3A:
undetectable		 5x7fA-5fg3A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g3p FORMAMIDASE

(Bacillus cereus) 		PF00795
(CN_hydrolase) 		5 GLY A  13
VAL A 257
GLY A 154
GLY A 157
GLN A 123
 None
 1.05A 5x7fA-5g3pA:
undetectable		 5x7fA-5g3pA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 GLY B 144
VAL B 146
GLY B 186
ALA B 203
TYR B 214
 None
 1.13A 5x7fA-5gq0B:
undetectable		 5x7fA-5gq0B:
20.59
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.
5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC

(Zea mays) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY A 543
GLY A 318
GLY A 320
ALA A 333
ASP A 290
 SF4  A 701 (-4.4A)
SRM  A 702 (-3.7A)
SRM  A 702 (-3.5A)
None
None
 1.12A 5x7fA-5h8yA:
undetectable		 5x7fA-5h8yA:
16.41
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 GLY A 541
GLY A 473
VAL A 497
ILE A 346
ALA A 471
 None
 1.10A 5x7fA-5iojA:
undetectable		 5x7fA-5iojA:
18.07
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.
5jy1 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  17
GLY A  13
GLY A  15
ILE A  38
ALA A  91
 NAD  A 301 (-3.3A)
NAD  A 301 (-3.4A)
NAD  A 301 ( 4.2A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.8A)
 0.97A 5x7fA-5jy1A:
7.6		 5x7fA-5jy1A:
26.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLY A 101
ILE A 126
ALA A 154
ALA A 178
TYR A 186
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
None
 0.47A 5x7fA-5kvaA:
25.4		 5x7fA-5kvaA:
30.53
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 GLY B  79
GLY B 288
VAL B 263
ALA B 293
ASP B 309
 None
None
None
None
MG  B 803 (-2.2A)
 1.25A 5x7fA-5m45B:
undetectable		 5x7fA-5m45B:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mn5 CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  18
VAL A 101
GLY A 104
GLY A  20
ASP A 187
 None
None
GTP  A 401 (-3.4A)
GTP  A 401 (-3.4A)
GTP  A 401 (-2.9A)
 1.15A 5x7fA-5mn5A:
4.5		 5x7fA-5mn5A:
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.
5mp4 PROTOPLAST SECRETED
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03358
(FMN_red) 		5 GLY A 158
VAL A 156
GLY A 115
GLY A 117
ALA A 168
 None
None
None
None
PO4  A 201 ( 4.0A)
 0.97A 5x7fA-5mp4A:
undetectable		 5x7fA-5mp4A:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 VAL A  41
GLY A  65
ALA A 118
ALA A 140
TYR A 148
 SAM  A 306 (-3.4A)
SAM  A 306 (-3.2A)
SAM  A 306 (-3.5A)
SAM  A 306 (-3.6A)
None
 0.39A 5x7fA-5n5dA:
26.7		 5x7fA-5n5dA:
34.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5njf METALLOPROTEASE TLDD
METALLOPROTEASE PMBA

(Escherichia
coli;
Escherichia
coli) 		PF01523
(PmbA_TldD)
PF01523
(PmbA_TldD) 		5 VAL A 250
GLY A 478
ILE B 447
ALA B 412
ALA A 245
 None
 1.12A 5x7fA-5njfA:
undetectable		 5x7fA-5njfA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5npu ANC27

(synthetic
construct) 		no annotation 5 VAL A 451
GLY A 506
VAL A 455
ALA A 491
ASP A 489
 None
 1.10A 5x7fA-5npuA:
undetectable		 5x7fA-5npuA:
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.
5ot0 L-ASPARAGINASE

(Thermococcus
kodakarensis) 		no annotation 5 GLY A 289
GLY A 236
VAL A 259
ALA A 235
TYR A 274
 None
 1.06A 5x7fA-5ot0A:
undetectable		 5x7fA-5ot0A:
26.83
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.
5sga PROTEINASE A (SGPA)

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 VAL E 241
GLY E  18
GLY E  45
ALA E  17
TYR E 121
 None
 1.01A 5x7fA-5sgaE:
undetectable		 5x7fA-5sgaE:
22.32
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.
5tzb D-AMINOPEPTIDASE

(Burkholderia
sp. LK4) 		PF03576
(Peptidase_S58) 		5 GLY A 348
VAL A 339
GLY A 161
GLY A 176
ALA A 335
 None
 1.16A 5x7fA-5tzbA:
undetectable		 5x7fA-5tzbA:
27.18
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.
5ulv MALATE DEHYDROGENASE

(Methylobacterium
extorquens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  39
GLY A  15
GLY A  10
ILE A 119
ALA A 236
 None
 1.15A 5x7fA-5ulvA:
5.5		 5x7fA-5ulvA:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w3f TUBULIN ALPHA-1
CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLY A 144
GLY A 107
GLY A 149
ALA A 100
ASP A  99
 GTP  A 502 (-2.8A)
None
None
GTP  A 502 ( 4.8A)
None
 0.97A 5x7fA-5w3fA:
3.6		 5x7fA-5w3fA:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		12 GLY A  40
VAL A  42
GLY A  66
GLY A  68
VAL A  71
ILE A  91
GLU A  92
ALA A 120
GLN A 121
ALA A 139
ASP A 140
TYR A 147
 SAM  A 301 (-3.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.9A)
None
SAM  A 301 (-3.5A)
SAM  A 301 (-3.2A)
SAM  A 301 (-3.5A)
SAM  A 301 ( 3.8A)
None
 0.02A 5x7fA-5x7fA:
41.7		 5x7fA-5x7fA:
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.
5x8h SHORT-CHAIN
DEHYDROGENASE
REDUCTASE

(Chryseobacterium
sp. CA49) 		no annotation 5 GLY A  17
GLY A  13
GLY A  15
ILE A  38
ALA A  91
 None
 0.98A 5x7fA-5x8hA:
8.3		 5x7fA-5x8hA:
26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 VAL A 173
GLY A  17
GLY A  13
VAL A 175
ALA A 392
 None
None
FAD  A 701 (-3.5A)
None
None
 1.15A 5x7fA-5xmjA:
undetectable		 5x7fA-5xmjA:
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.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		5 GLY A 320
GLY A 340
GLY A 318
ILE A 285
ALA A 288
 None
 1.16A 5x7fA-5xoyA:
undetectable		 5x7fA-5xoyA:
22.55
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.
6cxd PEPTIDASE B

(Yersinia pestis) 		no annotation 5 GLY A 281
GLY A 222
GLY A 197
ALA A 303
ASP A 302
 SO4  A 503 (-3.3A)
None
None
None
None
 1.23A 5x7fA-6cxdA:
undetectable		 5x7fA-6cxdA:
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.
6gu8 -

(-) 		no annotation 5 GLY A 353
GLY A 285
GLY A 282
ASP A 325
TYR A  64
 None
None
PEG  A 511 (-3.0A)
None
None
 1.18A 5x7fA-6gu8A:
undetectable		 5x7fA-6gu8A:
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.
1do5 HUMAN COPPER
CHAPERONE FOR
SUPEROXIDE DISMUTASE
DOMAIN II

(Homo sapiens) 		PF00080
(Sod_Cu) 		4 SER A 221
ASP A 167
HIS A 164
ASP A 206
 None
ZN  A  28 (-2.2A)
ZN  A  28 (-3.3A)
None
 0.93A 5x7fA-1do5A:
0.0		 5x7fA-1do5A:
21.37
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.
1m1j FIBRINOGEN BETA
CHAIN

(Gallus gallus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 SER B 380
ASP B 402
HIS B 412
ASP B 387
 None
None
None
CA  B 503 (-3.0A)
 1.48A 5x7fA-1m1jB:
undetectable		 5x7fA-1m1jB:
15.63
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 SER A 158
ASP A 164
HIS A 247
ASP A 160
 None
 1.47A 5x7fA-2b24A:
0.0		 5x7fA-2b24A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 SER A 400
ASP A 386
HIS A 381
ASP A  92
 None
 1.31A 5x7fA-2h88A:
0.0		 5x7fA-2h88A:
17.55
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.
2xu2 UPF0271 PROTEIN
PA4511

(Pseudomonas
aeruginosa) 		PF03746
(LamB_YcsF) 		4 SER A  30
ASP A 234
HIS A 232
ASP A  27
 None
None
CIT  A1249 (-3.7A)
None
 1.28A 5x7fA-2xu2A:
0.5		 5x7fA-2xu2A:
29.15
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.
3f0w NUMB-LIKE PROTEIN

(Homo sapiens) 		PF00640
(PID) 		4 SER A 158
ASP A 101
HIS A  97
ASP A 150
 None
None
SO4  A   3 (-3.7A)
None
 1.47A 5x7fA-3f0wA:
0.0		 5x7fA-3f0wA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h32 FIBRINOGEN BETA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 SER B 376
ASP B 398
HIS B 408
ASP B 383
 None
None
None
CA  B 502 (-2.6A)
 1.50A 5x7fA-3h32B:
0.0		 5x7fA-3h32B:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3keh GLUCOCEREBROSIDASE

(Homo sapiens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 SER A 464
ASP A 445
HIS A 365
ASP A 443
 None
 1.15A 5x7fA-3kehA:
0.8		 5x7fA-3kehA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r08 T-CELL SURFACE
GLYCOPROTEIN CD3
EPSILON CHAIN
MOUSE ANTI-MOUSE
CD3EPSILON ANTIBODY
2C11 HEAVY CHAIN

(Cricetulus
migratorius;
Cricetulus
migratorius) 		PF16681
(Ig_5)
PF07654
(C1-set)
PF07686
(V-set) 		4 SER H  52
ASP E  43
HIS E  45
ASP E  26
 None
 1.47A 5x7fA-3r08H:
0.0		 5x7fA-3r08H:
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.
3vss BETA-FRUCTOFURANOSID
ASE

(Microbacterium
saccharophilum) 		PF02435
(Glyco_hydro_68) 		4 SER A 416
ASP A 288
HIS A 291
ASP A 412
 None
None
FRU  A 603 (-4.3A)
None
 1.47A 5x7fA-3vssA:
undetectable		 5x7fA-3vssA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas sp.
C18;
Pseudomonas sp.
C18) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		4 SER A 219
ASP A 361
HIS A 213
ASP B 103
 None
None
FE  A 502 (-3.2A)
None
 1.47A 5x7fA-4hjlA:
undetectable		 5x7fA-4hjlA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		4 SER A  72
ASP A  90
HIS A  95
ASP A 138
 SAM  A 301 (-2.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.8A)
SAM  A 301 (-3.6A)
 0.00A 5x7fA-5x7fA:
41.7		 5x7fA-5x7fA:
100.00