SIMILAR PATTERNS OF AMINO ACIDS FOR 5C0O_E_SAME301_0

List of similar pattern of amino acids derived from ASSAM search

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

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

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 ALA A 100
GLY A  95
GLY A  75
GLY A 492
GLU A 308
 None
PTE  A 609 (-3.5A)
None
None
None
 1.17A 5c0oE-1aorA:
undetectable		 5c0oE-1aorA:
19.73
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.
1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89

(Zoogloea
ramigera) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 253
GLY A  55
GLY A 115
GLY A 354
ALA A  67
 None
None
None
SCY  A  89 ( 4.6A)
None
 1.01A 5c0oE-1dm3A:
undetectable		 5c0oE-1dm3A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fux HYPOTHETICAL 19.5
KDA PROTEIN IN
EMRE-RUS INTERGENIC
REGION

(Escherichia
coli) 		PF01161
(PBP) 		5 ALA A 102
GLY A  95
GLY A 138
LEU A 140
ALA A  92
 None
 1.17A 5c0oE-1fuxA:
undetectable		 5c0oE-1fuxA:
18.50
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.
1h2s SENSORY RHODOPSIN II

(Natronomonas
pharaonis) 		PF01036
(Bac_rhodopsin) 		5 ALA A  47
GLY A  42
GLY A  45
GLY A  18
LEU A  82
 None
 1.16A 5c0oE-1h2sA:
undetectable		 5c0oE-1h2sA:
21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 107
GLY A 109
LEU A 113
HIS A 136
ASP A 178
 SAM  A 301 (-2.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.4A)
 0.37A 5c0oE-1i9gA:
27.8		 5c0oE-1i9gA:
38.15
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.
1jjf ENDO-1,4-BETA-XYLANA
SE Z

(Ruminiclostridium
thermocellum) 		PF00756
(Esterase) 		5 PRO A 199
GLY A 174
GLY A 176
ALA A 169
LEU A 171
 None
 1.11A 5c0oE-1jjfA:
undetectable		 5c0oE-1jjfA:
21.15
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 ALA A 188
GLY A 155
GLY A 185
GLY A 149
LEU A 158
 None
None
None
CL  A 503 ( 3.7A)
None
 1.14A 5c0oE-1kplA:
undetectable		 5c0oE-1kplA:
21.04
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 ALA A 362
GLY A 314
GLY A 316
GLY A 146
LEU A 145
 None
 0.75A 5c0oE-1kplA:
undetectable		 5c0oE-1kplA:
21.04
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.
1kyh HYPOTHETICAL 29.9
KDA PROTEIN IN
SIGY-CYDD INTERGENIC
REGION

(Bacillus
subtilis) 		PF01256
(Carb_kinase) 		5 ALA A  42
PRO A  40
GLY A 104
ALA A 131
LEU A  33
 None
 1.12A 5c0oE-1kyhA:
5.1		 5c0oE-1kyhA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 ALA A 171
GLY A 235
GLY A 219
ALA A 167
LEU A 397
 None
None
None
NAG  A 603 (-3.3A)
None
 0.90A 5c0oE-1ot5A:
undetectable		 5c0oE-1ot5A:
20.25
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.
1p9h INVASIN

(Yersinia
enterocolitica) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 ALA A 114
GLY A 140
GLY A 127
ALA A 142
ASP A 138
 None
 1.16A 5c0oE-1p9hA:
undetectable		 5c0oE-1p9hA:
21.58
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.
1r5n EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		5 ALA A 277
GLY A 256
GLY A 250
LEU A 254
LEU A 259
 None
None
GDP  A 663 (-2.9A)
None
None
 1.15A 5c0oE-1r5nA:
undetectable		 5c0oE-1r5nA:
19.79
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.
1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)

(Bos taurus) 		PF00080
(Sod_Cu) 		5 ALA A 138
GLY A  83
GLY A 125
ASP A  81
LEU A  82
 None
None
None
ZN  A 153 ( 2.2A)
None
 1.04A 5c0oE-1sxzA:
undetectable		 5c0oE-1sxzA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1udx THE GTP-BINDING
PROTEIN OBG

(Thermus
thermophilus) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1)
PF09269
(DUF1967) 		5 GLY A  13
GLY A 119
GLY A  39
ALA A 116
ASP A  67
 None
 1.18A 5c0oE-1udxA:
undetectable		 5c0oE-1udxA:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uj4 RIBOSE 5-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF06026
(Rib_5-P_isom_A) 		5 ALA A 178
PRO A 137
GLY A 205
LEU A 206
ALA A 151
 None
 1.14A 5c0oE-1uj4A:
3.1		 5c0oE-1uj4A:
26.92
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.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		5 PRO A 242
GLY A 264
GLY A 215
GLY A  27
LEU A  28
 None
FMN  A 501 (-4.3A)
None
None
None
 0.81A 5c0oE-1vcgA:
undetectable		 5c0oE-1vcgA:
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.
1wel RNA-BINDING PROTEIN
12

(Homo sapiens) 		PF00076
(RRM_1) 		5 ALA A 470
GLY A 436
GLY A 472
GLY A 474
LEU A 434
 None
 0.77A 5c0oE-1welA:
undetectable		 5c0oE-1welA:
18.37
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		5 ALA A 130
GLY A 321
GLY A 161
GLY A 157
ALA A 299
 SO4  A 329 ( 4.2A)
None
SO4  A 329 (-3.3A)
SO4  A 330 ( 4.7A)
None
 1.12A 5c0oE-1xa0A:
8.9		 5c0oE-1xa0A:
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.
1z5v TUBULIN GAMMA-1
CHAIN

(Homo sapiens) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLY A 148
GLY A 144
GLY A  11
LEU A  10
ALA A 105
 None
GSP  A2466 (-3.0A)
GSP  A2466 (-3.1A)
None
None
 0.91A 5c0oE-1z5vA:
2.9		 5c0oE-1z5vA:
19.07
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.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A  54
GLY A  24
LEU A  71
ALA A  88
HIS A  55
 None
 1.02A 5c0oE-2ag1A:
undetectable		 5c0oE-2ag1A:
20.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		5 GLY A 111
GLY A 113
GLY A 116
HIS A 140
ASP A 192
 SAM  A 601 (-2.9A)
SAM  A 601 (-3.2A)
SAM  A 601 (-3.5A)
SAM  A 601 (-4.0A)
SAM  A 601 (-3.5A)
 0.47A 5c0oE-2b25A:
25.7		 5c0oE-2b25A:
30.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cx9 ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 191
GLY A 104
GLY A  98
LEU A 102
ALA A 107
 None
 0.80A 5c0oE-2cx9A:
undetectable		 5c0oE-2cx9A:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		5 GLY A 244
GLY A 246
GLY A  43
ALA A 277
LEU A 243
 None
 0.99A 5c0oE-2eh6A:
2.2		 5c0oE-2eh6A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		5 GLY A 244
GLY A 246
GLY A  43
LEU A  42
LEU A 243
 None
 1.02A 5c0oE-2eh6A:
2.2		 5c0oE-2eh6A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ALA A 284
GLY A 278
GLY A 282
GLY A 254
GLU A 273
 None
None
ATP  A 411 (-3.4A)
ATP  A 411 (-3.2A)
None
 1.12A 5c0oE-2f02A:
5.2		 5c0oE-2f02A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2onk MOLYBDATE/TUNGSTATE
ABC TRANSPORTER,
ATP-BINDING PROTEIN
MOLYBDATE/TUNGSTATE
ABC TRANSPORTER,
PERMEASE PROTEIN

(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		PF00005
(ABC_tran)
PF00528
(BPD_transp_1) 		5 GLY A  73
GLY A  71
GLY C 166
LEU C 165
LEU A 148
 None
 1.08A 5c0oE-2onkA:
undetectable		 5c0oE-2onkA:
25.72
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.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 5 GLY A 120
GLY A  75
GLY A  88
LEU A 118
LEU A 173
 None
 1.14A 5c0oE-2p4oA:
undetectable		 5c0oE-2p4oA:
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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		6 GLY A 258
GLY A 260
GLY A  57
LEU A  56
ALA A 291
LEU A 257
 None
EDO  A1002 ( 4.6A)
None
None
None
None
 1.26A 5c0oE-2pb0A:
2.1		 5c0oE-2pb0A:
21.40
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 ALA A  12
PRO A 420
GLY A 414
GLY A 391
ALA A 254
 None
 1.20A 5c0oE-2pqdA:
undetectable		 5c0oE-2pqdA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q2i SECRETION CHAPERONE

(Agrobacterium
fabrum) 		PF01588
(tRNA_bind) 		5 ALA A  51
GLY A  89
GLY A  69
LEU A  68
ALA A  91
 None
 1.19A 5c0oE-2q2iA:
undetectable		 5c0oE-2q2iA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q2l SUPEROXIDE DISMUTASE

(Potentilla
atrosanguinea) 		PF00080
(Sod_Cu) 		5 ALA A 139
PRO A 122
GLY A  84
GLY A  43
HIS A 119
 None
 1.00A 5c0oE-2q2lA:
undetectable		 5c0oE-2q2lA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qtk PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ALA A 161
GLY A  65
GLY A  93
GLY A  62
LEU A 127
 None
None
None
C8E  A 396 ( 4.6A)
None
 1.13A 5c0oE-2qtkA:
undetectable		 5c0oE-2qtkA:
24.09
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.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		5 GLY A 808
GLY A 806
GLY A 803
ALA A 525
LEU A 811
 None
SO4  A   1 ( 4.6A)
None
None
None
 0.86A 5c0oE-2r4fA:
undetectable		 5c0oE-2r4fA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Aquifex
aeolicus) 		PF00288
(GHMP_kinases_N) 		5 ALA A 212
GLY A 237
GLY A 239
GLY A  90
LEU A  14
 None
None
None
ADP  A1270 (-3.2A)
None
 1.19A 5c0oE-2v8pA:
undetectable		 5c0oE-2v8pA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w21 GLUTAMATE 5-KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 ALA A  52
GLY A  51
GLY A  12
LEU A  11
LEU A  86
 SO4  A1262 (-3.7A)
SO4  A1262 (-3.1A)
SO4  A1259 (-3.5A)
None
None
 1.08A 5c0oE-2w21A:
undetectable		 5c0oE-2w21A:
22.34
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.
2wu0 PHYTASE

(Klebsiella
pneumoniae) 		PF00328
(His_Phos_2) 		5 ALA A  63
GLY A 344
LEU A 345
ALA A  25
LEU A 216
 None
None
None
SO4  A1408 (-3.2A)
None
 1.04A 5c0oE-2wu0A:
undetectable		 5c0oE-2wu0A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y89 PHOSPHORIBOSYL
ISOMERASE A

(Mycobacterium
tuberculosis) 		PF00977
(His_biosynth) 		5 ALA A 106
GLY A 128
GLY A 104
GLY A 142
ALA A 126
 None
None
SO4  A1246 (-3.4A)
None
None
 1.19A 5c0oE-2y89A:
undetectable		 5c0oE-2y89A:
23.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		5 GLY A  99
GLY A 101
LEU A 105
ALA A 121
ASP A 165
 SAM  A 601 (-3.2A)
SAM  A 601 (-3.5A)
SAM  A 601 (-4.6A)
SAM  A 601 (-3.9A)
SAM  A 601 (-3.4A)
 0.42A 5c0oE-2yvlA:
27.2		 5c0oE-2yvlA:
33.58
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.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE

(Achromobacter
obae) 		PF00202
(Aminotran_3) 		5 GLY A 270
GLY A 272
GLY A  55
LEU A  54
LEU A 269
 None
 1.01A 5c0oE-2zukA:
2.3		 5c0oE-2zukA:
22.81
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.
3b5n PROTEIN SSO1
PROTEIN TRANSPORT
PROTEIN SEC9
PROTEIN TRANSPORT
PROTEIN SEC9

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00804
(Syntaxin)
PF05739
(SNARE)
no annotation
no annotation 		5 ALA C 457
LEU B 220
ALA D 612
ASP B 216
LEU B 213
 None
 1.05A 5c0oE-3b5nC:
undetectable		 5c0oE-3b5nC:
16.88
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.
3fhc NUCLEAR PORE COMPLEX
PROTEIN NUP214

(Homo sapiens) 		PF12894
(ANAPC4_WD40) 		5 GLY A  54
GLY A 364
LEU A  42
HIS A  96
LEU A  59
 None
 1.20A 5c0oE-3fhcA:
undetectable		 5c0oE-3fhcA:
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.
3gd5 ORNITHINE
CARBAMOYLTRANSFERASE

(Gloeobacter
violaceus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A  52
GLY A 106
GLY A 101
LEU A 100
LEU A  53
 None
 1.11A 5c0oE-3gd5A:
8.1		 5c0oE-3gd5A:
23.84
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.
3kvd LIPOPROTEIN

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 ALA D 227
GLY D 315
GLY D 219
LEU D 231
ALA D 173
 None
 1.05A 5c0oE-3kvdD:
undetectable		 5c0oE-3kvdD:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l9y SUPEROXIDE DISMUTASE
[CU-ZN]

(Bombyx mori) 		PF00080
(Sod_Cu) 		5 ALA A 140
PRO A 123
GLY A  84
GLY A  43
HIS A 120
 None
None
None
None
CU  A 156 (-3.1A)
 0.97A 5c0oE-3l9yA:
undetectable		 5c0oE-3l9yA:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
LEU A 107
ASP A 169
LEU A 170
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.3A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.2A)
 0.68A 5c0oE-3lgaA:
25.8		 5c0oE-3lgaA:
35.29
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 GLY A  32
GLY A  34
LEU A 102
ALA A  56
GLU A  88
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-4.6A)
SAH  A 216 (-3.8A)
SAH  A 216 (-2.9A)
 0.93A 5c0oE-3mq2A:
11.9		 5c0oE-3mq2A:
24.09
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 GLY A  32
LEU A 102
ALA A  56
GLU A  88
LEU A 108
 SAH  A 216 (-3.5A)
SAH  A 216 (-4.6A)
SAH  A 216 (-3.8A)
SAH  A 216 (-2.9A)
SAH  A 216 (-4.0A)
 1.13A 5c0oE-3mq2A:
11.9		 5c0oE-3mq2A:
24.09
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A  73
GLY A 337
GLY A 191
GLY A 237
LEU A 336
 None
 1.04A 5c0oE-3oytA:
undetectable		 5c0oE-3oytA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		5 ALA A 190
GLY A 191
GLY A 214
ASP A 217
LEU A 220
 None
 1.18A 5c0oE-3pnzA:
undetectable		 5c0oE-3pnzA:
19.47
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		5 ALA A1166
GLY A1149
GLY A1222
LEU A1151
ALA A1176
 None
SAH  A1601 ( 4.8A)
None
SAH  A1601 (-3.6A)
None
 0.99A 5c0oE-3ptaA:
9.2		 5c0oE-3ptaA:
14.27
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.
3r0q PROBABLE PROTEIN
ARGININE
N-METHYLTRANSFERASE
4.2

(Arabidopsis
thaliana) 		no annotation 5 GLY C  78
GLY C  80
LEU C  84
ALA C 101
GLU C 129
 SAH  C   1 (-3.0A)
SAH  C   1 ( 3.7A)
SAH  C   1 (-4.2A)
SAH  C   1 (-3.4A)
SAH  C   1 (-3.4A)
 0.98A 5c0oE-3r0qC:
9.5		 5c0oE-3r0qC:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00171
(Aldedh) 		5 ALA A  62
PRO A 205
GLY A  18
GLY A 207
ALA A  54
 ALA  A  62 ( 0.0A)
PRO  A 205 ( 1.1A)
GLY  A  18 ( 0.0A)
GLY  A 207 ( 0.0A)
ALA  A  54 ( 0.0A)
 1.14A 5c0oE-3r64A:
4.3		 5c0oE-3r64A:
20.53
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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		5 ALA A 132
GLY A 114
ALA A 112
ASP A   3
LEU A   4
 None
 1.14A 5c0oE-4aahA:
undetectable		 5c0oE-4aahA:
17.50
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.
4aut DECAPRENYL-PHOSPHORY
L-BETA-D-RIBOFURANOS
E-2-OXIDOREDUCTASE

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 ALA A 458
GLY A  55
GLY A  57
GLY A  75
ALA A  51
 None
 1.02A 5c0oE-4autA:
undetectable		 5c0oE-4autA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA C 264
GLY C  57
GLY C 118
GLY C 365
ALA C  70
 None
 1.06A 5c0oE-4b3iC:
undetectable		 5c0oE-4b3iC:
23.15
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.
4b6g PUTATIVE ESTERASE

(Neisseria
meningitidis) 		PF00756
(Esterase) 		5 ALA A 167
GLY A 150
GLY A 148
GLY A  51
LEU A 154
 None
 0.96A 5c0oE-4b6gA:
undetectable		 5c0oE-4b6gA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 GLY A  47
GLY A  63
LEU A  80
ALA A 147
LEU A  48
 None
 1.20A 5c0oE-4bjuA:
undetectable		 5c0oE-4bjuA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 GLY A 390
GLY A  98
ALA A 421
ASP A 386
LEU A 397
 None
None
None
XYP  A1002 (-2.8A)
None
 1.19A 5c0oE-4c1tA:
undetectable		 5c0oE-4c1tA:
22.25
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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 257
GLY A  57
GLY A 118
GLY A 358
ALA A  70
 None
 1.02A 5c0oE-4c2kA:
undetectable		 5c0oE-4c2kA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E

(Methylobacterium
extorquens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 240
GLY A 227
GLY A 221
LEU A 223
ALA A 232
 None
None
NAP  A 502 (-3.3A)
NAP  A 502 (-4.0A)
None
 1.02A 5c0oE-4gi2A:
6.7		 5c0oE-4gi2A:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jhp X-LINKED RETINITIS
PIGMENTOSA GTPASE
REGULATOR

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY C 269
GLY C 272
GLY C 277
LEU C 280
LEU C 268
 None
 1.12A 5c0oE-4jhpC:
undetectable		 5c0oE-4jhpC:
18.73
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 PRO A3889
GLY A3891
GLY A3887
LEU A3886
LEU A3879
 None
 1.19A 5c0oE-4kc5A:
undetectable		 5c0oE-4kc5A:
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.
4kqx KETOL-ACID
REDUCTOISOMERASE

(Slackia exigua) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 GLY A 188
GLY A 156
GLU A 196
ASP A 159
LEU A 160
 None
 1.13A 5c0oE-4kqxA:
4.8		 5c0oE-4kqxA:
24.29
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.
4kw5 OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 ALA A 451
GLY A  48
GLY A  50
GLY A  68
ALA A  43
 None
 1.18A 5c0oE-4kw5A:
undetectable		 5c0oE-4kw5A:
20.50
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.
4n81 INOSITOL
MONOPHOSPHATASE

(Zymomonas
mobilis) 		PF00459
(Inositol_P) 		5 GLY A 245
LEU A 249
ALA A 221
ASP A 199
LEU A 193
 None
 1.09A 5c0oE-4n81A:
2.7		 5c0oE-4n81A:
21.83
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.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		5 ALA X 222
GLY X  79
GLY X  36
GLY X 259
ALA X 188
 None
MIS  X  77 ( 4.1A)
MIS  X  77 ( 3.4A)
None
MIS  X  77 ( 3.4A)
 1.01A 5c0oE-4pkaX:
undetectable		 5c0oE-4pkaX:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q69 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 ALA A 316
PRO A 315
GLY A  80
GLY A  75
LEU A  77
 None
 1.11A 5c0oE-4q69A:
undetectable		 5c0oE-4q69A:
21.40
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.
4qpp PROTEIN ARGININE
N-METHYLTRANSFERASE
6

(Homo sapiens) 		PF13649
(Methyltransf_25) 		5 GLY A  90
GLY A  92
LEU A  96
ALA A 113
GLU A 141
 SAH  A1000 (-3.2A)
SAH  A1000 ( 3.7A)
SAH  A1000 (-4.0A)
SAH  A1000 (-3.6A)
SAH  A1000 (-3.3A)
 1.06A 5c0oE-4qppA:
8.8		 5c0oE-4qppA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rot ESTERASE A

(Streptococcus
pyogenes) 		PF00756
(Esterase) 		5 ALA A 129
GLY A 147
GLY A 126
GLY A  47
ALA A 199
 None
 1.18A 5c0oE-4rotA:
undetectable		 5c0oE-4rotA:
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.
4w8l ENDO-1,4-BETA-XYLANA
SE C

(Paenibacillus
barcinonensis) 		PF00331
(Glyco_hydro_10) 		5 ALA A 357
GLY A 644
GLY A 649
ASP A 595
LEU A 594
 GOL  A1102 (-3.5A)
GOL  A1102 ( 3.8A)
GOL  A1102 (-4.6A)
None
None
 1.15A 5c0oE-4w8lA:
undetectable		 5c0oE-4w8lA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zw0 3-HYDROXYACYL-[ACYL-
CARRIER-PROTEIN]
DEHYDRATASE FABZ

(Candidatus
Liberibacter
asiaticus) 		PF07977
(FabA) 		5 ALA A 132
GLY A  71
GLY A  65
LEU A  67
ALA A  76
 None
 1.13A 5c0oE-4zw0A:
undetectable		 5c0oE-4zw0A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bw4 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Catenulispora
acidiphila) 		no annotation 5 GLY A  38
GLY A  40
LEU A 110
GLU A  94
LEU A 116
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.0A)
 1.04A 5c0oE-5bw4A:
12.4		 5c0oE-5bw4A:
24.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c1i TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI

(Thermus
thermophilus) 		PF08704
(GCD14) 		6 GLY A 101
GLY A 106
LEU A 107
ALA A 126
GLU A 155
LEU A 171
 None
 0.71A 5c0oE-5c1iA:
33.1		 5c0oE-5c1iA:
98.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c1i TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI

(Thermus
thermophilus) 		PF08704
(GCD14) 		5 GLY A 101
GLY A 106
LEU A 107
ALA A 126
HIS A 130
 None
 0.55A 5c0oE-5c1iA:
33.1		 5c0oE-5c1iA:
98.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c1i TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI

(Thermus
thermophilus) 		PF08704
(GCD14) 		5 GLY A 103
GLY A 106
LEU A 107
ALA A 126
HIS A 130
 None
 0.72A 5c0oE-5c1iA:
33.1		 5c0oE-5c1iA:
98.80
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.
5cqe MATRIX PROTEIN 1

(Influenza A
virus) 		PF00598
(Flu_M1) 		5 ALA A  83
PRO A  54
GLY A  61
GLY A  58
GLU A  71
 None
 1.03A 5c0oE-5cqeA:
undetectable		 5c0oE-5cqeA:
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.
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLY A 364
GLY A 115
GLY A 113
ALA A 358
HIS A 116
 GLY  A 364 ( 0.0A)
GLY  A 115 ( 0.0A)
GLY  A 113 ( 0.0A)
ALA  A 358 ( 0.0A)
HIS  A 116 ( 1.0A)
 1.07A 5c0oE-5ep8A:
undetectable		 5c0oE-5ep8A:
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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 ALA A 522
GLY A 558
GLY A 511
GLY A 509
LEU A 569
 None
None
None
L6I  A1615 (-3.0A)
None
 1.06A 5c0oE-5fnuA:
undetectable		 5c0oE-5fnuA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 ALA B 258
PRO B 300
GLY B 322
GLY B 302
ALA B 305
 None
 1.10A 5c0oE-5gq0B:
undetectable		 5c0oE-5gq0B:
22.07
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.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		5 GLY A 303
GLY A 305
GLY A  97
ALA A 339
LEU A 302
 None
 1.17A 5c0oE-5h7dA:
undetectable		 5c0oE-5h7dA:
21.33
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.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 PRO A 718
GLY A 557
GLY A 703
LEU A 702
ALA A 562
 None
 0.96A 5c0oE-5i2gA:
undetectable		 5c0oE-5i2gA:
15.93
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 ALA A 370
PRO A 369
GLY A 437
GLY A 404
LEU A 436
 None
 1.17A 5c0oE-5ijlA:
undetectable		 5c0oE-5ijlA:
13.35
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.
5in2 EXTRACELLULAR
SUPEROXIDE DISMUTASE
[CU-ZN]

(Onchocerca
volvulus) 		PF00080
(Sod_Cu) 		5 GLY A  85
GLY A 127
HIS A 120
ASP A  83
LEU A  84
 AZI  A 207 (-3.5A)
None
CU  A 203 ( 3.1A)
ZN  A 202 (-2.1A)
None
 1.15A 5c0oE-5in2A:
undetectable		 5c0oE-5in2A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		5 GLY A 270
GLY A 272
GLY A  55
LEU A  54
LEU A 269
 None
 1.00A 5c0oE-5m49A:
undetectable		 5c0oE-5m49A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5npu ANC27

(synthetic
construct) 		no annotation 5 ALA A 246
GLY A 284
GLY A 218
ALA A 223
LEU A 283
 None
 1.11A 5c0oE-5npuA:
5.3		 5c0oE-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.
5ode GLL2934 PROTEIN

(Gloeobacter
violaceus) 		no annotation 5 GLY A  27
GLY A  24
GLY A  74
ALA A  21
LEU A 284
 None
FAD  A 400 (-2.9A)
None
None
None
 1.12A 5c0oE-5odeA:
3.6		 5c0oE-5odeA:
21.33
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 ALA A 433
PRO A 626
GLY A 519
GLY A 624
GLY A 510
 None
 0.95A 5c0oE-5svcA:
undetectable		 5c0oE-5svcA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 ALA A  39
GLY A  66
GLY A  68
HIS A  95
ASP A 138
 SAM  A 301 ( 4.5A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.8A)
SAM  A 301 (-3.6A)
 0.74A 5c0oE-5x7fA:
19.5		 5c0oE-5x7fA:
25.75
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 GLY A  66
GLY A  68
GLY A  73
HIS A  95
ASP A 138
 SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.8A)
SAM  A 301 (-3.6A)
 0.96A 5c0oE-5x7fA:
19.5		 5c0oE-5x7fA:
25.75
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.
6avu INTEGRIN ALPHA-V

(Homo sapiens) 		no annotation 5 ALA A 343
GLY A 425
GLY A 405
GLY A 371
ALA A  22
 None
 1.17A 5c0oE-6avuA:
undetectable		 5c0oE-6avuA:
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.
6bba ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 ALA A 194
PRO A 165
GLY A 198
GLY A 167
ALA A 204
 None
 1.13A 5c0oE-6bbaA:
undetectable		 5c0oE-6bbaA:
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.
6bj9 ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 5 ALA A 253
GLY A  57
GLY A 117
GLY A 354
ALA A  69
 None
 1.06A 5c0oE-6bj9A:
undetectable		 5c0oE-6bj9A:
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.
6blj SERINE-TRNA LIGASE

(Naegleria
fowleri) 		no annotation 5 ALA A 385
PRO A 362
GLY A 360
ALA A 439
GLU A 329
 None
None
None
AMP  A 500 (-3.4A)
None
 0.94A 5c0oE-6bljA:
undetectable		 5c0oE-6bljA:
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		no annotation
no annotation 		5 GLY F  75
GLY F  78
GLY F 124
LEU F 127
GLU H 113
 None
 1.18A 5c0oE-6cfwF:
undetectable		 5c0oE-6cfwF:
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.
6d2l HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Homo sapiens) 		no annotation 5 GLY A 192
GLY A 194
LEU A 198
ALA A 215
GLU A 243
 FTG  A 501 (-3.2A)
FTG  A 501 ( 3.9A)
None
FTG  A 501 (-3.4A)
FTG  A 501 (-3.2A)
 0.84A 5c0oE-6d2lA:
10.4		 5c0oE-6d2lA:
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.
6f0k QUINOL:CYTOCHROME C
OXIDOREDUCTASE
MONOHEME CYTOCHROME
SUBUNIT

(Rhodothermus
marinus) 		no annotation 5 ALA E 138
PRO E 137
GLY E 126
ALA E 115
HIS E 118
 HEC  E 400 (-3.3A)
HEC  E 400 ( 4.9A)
None
None
HEC  E 400 (-3.2A)
 1.20A 5c0oE-6f0kE:
undetectable		 5c0oE-6f0kE:
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.
6f45 -

(-) 		no annotation 5 PRO D 128
GLY D 120
GLY D 126
GLY D 117
GLU D 165
 None
 1.20A 5c0oE-6f45D:
undetectable		 5c0oE-6f45D:
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.
6f45 -

(-) 		no annotation 5 PRO D 128
GLY D 120
GLY D 126
GLY D 154
ALA D 122
 None
 1.19A 5c0oE-6f45D:
undetectable		 5c0oE-6f45D:
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.
6fmq -

(-) 		no annotation 5 ALA A 522
GLY A 558
GLY A 511
GLY A 509
LEU A 569
 None
None
None
NA  A 708 ( 3.7A)
None
 1.07A 5c0oE-6fmqA:
undetectable		 5c0oE-6fmqA:
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.
6fu4 PROBABLE CHEMOTAXIS
TRANSDUCER

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 274
GLY A 331
LEU A 266
ALA A 247
LEU A 282
 None
 1.09A 5c0oE-6fu4A:
undetectable		 5c0oE-6fu4A:
undetectable