SIMILAR PATTERNS OF AMINO ACIDS FOR 5ERG_B_SAMB401

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.
1cbg CYANOGENIC
BETA-GLUCOSIDASE

(Trifolium
repens) 		PF00232
(Glyco_hydro_1) 		5 ILE A 393
VAL A 392
GLY A 442
ARG A  91
VAL A 175
 None
 1.20A 5ergB-1cbgA:
undetectable		 5ergB-1cbgA:
20.93
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.
1crk CREATINE KINASE

(Gallus gallus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 GLN A 313
ILE A 331
VAL A 290
GLY A 351
LEU A 286
 PO4  A 400 ( 4.8A)
None
None
None
None
 1.20A 5ergB-1crkA:
undetectable		 5ergB-1crkA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6v METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanopyrus
kandleri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 VAL B 176
GLY B 163
PHE B 162
VAL B 149
CYH B 147
 None
 1.20A 5ergB-1e6vB:
undetectable		 5ergB-1e6vB:
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.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  64
VAL A  63
GLY A  66
SER A 143
PRO A  20
 None
 1.03A 5ergB-1ee2A:
7.0		 5ergB-1ee2A:
22.12
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.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  64
VAL A  63
SER A 143
PHE A 139
PRO A  20
 None
 1.20A 5ergB-1ee2A:
7.0		 5ergB-1ee2A:
22.12
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.
1j93 UROPORPHYRINOGEN
DECARBOXYLASE

(Nicotiana
tabacum) 		PF01208
(URO-D) 		5 ILE A 324
GLY A 293
ARG A 282
LEU A 262
PRO A 263
 None
 1.22A 5ergB-1j93A:
undetectable		 5ergB-1j93A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 GLY A 390
SER A 391
CYH A 353
LEU A 136
PRO A 131
 None
 1.12A 5ergB-1pieA:
undetectable		 5ergB-1pieA:
24.31
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.
1qgo ANAEROBIC COBALAMIN
BIOSYNTHETIC COBALT
CHELATASE

(Salmonella
enterica) 		PF06180
(CbiK) 		5 ILE A  22
GLY A  11
SER A   9
VAL A 174
PRO A 199
 None
None
None
SO4  A 401 (-3.9A)
None
 1.22A 5ergB-1qgoA:
undetectable		 5ergB-1qgoA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qil TOXIC SHOCK SYNDROME
TOXIN-1

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C) 		5 SER A 127
PHE A 131
VAL A 104
LEU A 102
PRO A 101
 None
 1.18A 5ergB-1qilA:
undetectable		 5ergB-1qilA:
21.64
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.
1qou CEN

(Antirrhinum
majus) 		PF01161
(PBP) 		5 VAL A  35
GLY A  38
PHE A 169
VAL A  15
LEU A 123
 None
 0.81A 5ergB-1qouA:
undetectable		 5ergB-1qouA:
19.52
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.
1qou CEN

(Antirrhinum
majus) 		PF01161
(PBP) 		5 VAL A  35
GLY A  38
PHE A 169
VAL A  16
LEU A 123
 None
 1.10A 5ergB-1qouA:
undetectable		 5ergB-1qouA:
19.52
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.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  64
VAL A  63
GLY A  66
SER A 144
PRO A  20
 None
 1.03A 5ergB-1u3tA:
7.2		 5ergB-1u3tA:
21.72
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.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  64
VAL A  63
SER A 144
PHE A 140
PRO A  20
 None
 1.21A 5ergB-1u3tA:
7.2		 5ergB-1u3tA:
21.72
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.
1uek 4-(CYTIDINE
5'-DIPHOSPHO)-2C-MET
HYL-D-ERYTHRITOL
KINASE

(Thermus
thermophilus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 VAL A 126
GLY A  94
SER A  95
VAL A  77
LEU A 105
 None
 1.02A 5ergB-1uekA:
undetectable		 5ergB-1uekA:
22.28
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		5 GLY A 682
HIS A 677
VAL A 632
CYH A 635
LEU A 599
 None
 0.94A 5ergB-2a3lA:
undetectable		 5ergB-2a3lA:
20.78
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.
2aj4 GALACTOKINASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 GLY A 522
SER A 523
CYH A 473
LEU A 168
PRO A 163
 None
 1.22A 5ergB-2aj4A:
undetectable		 5ergB-2aj4A:
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.
2bi3 PHOSPHOSERINE
AMINOTRANSFERASE

(Bacillus
alcalophilus) 		PF00266
(Aminotran_5) 		5 GLN A  68
ILE A 207
VAL A 206
GLY A 188
VAL A 217
 None
 1.18A 5ergB-2bi3A:
2.5		 5ergB-2bi3A:
22.20
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.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		5 GLN A 111
ILE A  85
VAL A  86
PHE A 157
ARG A  83
 None
 1.07A 5ergB-2br4A:
9.4		 5ergB-2br4A:
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.
2c2y METHYLENETETRAHYDROF
OLATE
DEHYDROGENASE-METHEN
YLTETRAHYDROFOLATE
CYCLOHYDROLASE

(Mycobacterium
tuberculosis) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ILE A  82
VAL A 113
ARG A  67
CYH A  57
LEU A  35
 None
 1.18A 5ergB-2c2yA:
5.0		 5ergB-2c2yA:
21.53
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 VAL A  98
GLY A  95
ARG A  93
CYH A 260
LEU A  89
 None
 1.20A 5ergB-2cb1A:
3.1		 5ergB-2cb1A:
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.
2cfb GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Synechococcus
elongatus) 		PF00202
(Aminotran_3) 		5 VAL A 108
GLY A 263
ARG A 265
VAL A 242
LEU A 220
 None
 1.19A 5ergB-2cfbA:
undetectable		 5ergB-2cfbA:
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.
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like) 		5 ILE A  35
VAL A  36
SER A 258
VAL A 221
LEU A 230
 None
 1.14A 5ergB-2cw6A:
undetectable		 5ergB-2cw6A:
20.20
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.
2f7v AECTYLCITRULLINE
DEACETYLASE

(Xanthomonas
campestris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLN A 338
ILE A  97
VAL A  96
VAL A  71
PRO A 156
 None
 1.18A 5ergB-2f7vA:
undetectable		 5ergB-2f7vA:
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.
2fdr CONSERVED
HYPOTHETICAL PROTEIN

(Agrobacterium
fabrum) 		PF13419
(HAD_2) 		5 ILE A  89
VAL A  14
GLY A 188
ARG A 211
PRO A 216
 None
 1.09A 5ergB-2fdrA:
undetectable		 5ergB-2fdrA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ghp U4/U6
SNRNA-ASSOCIATED
SPLICING FACTOR
PRP24

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		5 ILE A 237
GLY A 235
PHE A 234
ARG A 210
LEU A 286
 None
 1.18A 5ergB-2ghpA:
undetectable		 5ergB-2ghpA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		5 ILE G 309
VAL G 310
GLY G 332
SER G 333
ARG G 258
 None
 0.99A 5ergB-2iouG:
undetectable		 5ergB-2iouG:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLN X  38
ILE X 183
VAL X 184
GLY X  14
SER X  13
 None
SF4  X 800 (-3.8A)
None
SF4  X 800 ( 4.5A)
SF4  X 800 (-3.6A)
 1.11A 5ergB-2iv2X:
undetectable		 5ergB-2iv2X:
19.94
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.
2pd3 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Helicobacter
pylori) 		PF13561
(adh_short_C2) 		5 GLY A  13
SER A  91
HIS A  70
VAL A  78
LEU A 130
 NAD  A1780 (-3.7A)
NAD  A1780 ( 3.7A)
None
None
None
 1.19A 5ergB-2pd3A:
7.4		 5ergB-2pd3A:
22.47
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.
2uuu ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE

(Dictyostelium
discoideum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 GLY A 172
SER A 242
PHE A 241
VAL A 132
LEU A 129
 FAD  A1587 (-3.4A)
FAD  A1587 (-4.6A)
None
None
None
 1.10A 5ergB-2uuuA:
undetectable		 5ergB-2uuuA:
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.
2wsi FAD SYNTHETASE

(Saccharomyces
cerevisiae) 		PF01507
(PAPS_reduct) 		5 ILE A 161
VAL A 162
SER A  59
PHE A  58
LEU A  52
 FAD  A2762 ( 3.7A)
None
FAD  A2762 (-3.1A)
None
None
 1.10A 5ergB-2wsiA:
2.7		 5ergB-2wsiA:
20.35
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 ILE A 202
VAL A 201
GLY A 248
HIS A 255
LEU A 273
 None
 1.15A 5ergB-2x98A:
undetectable		 5ergB-2x98A:
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.
3c8t FUMARATE LYASE

(Chelativorans
sp. BNC1) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		6 GLN A 351
ILE A 348
GLY A 259
VAL A 276
LEU A 359
PRO A 279
 None
 1.36A 5ergB-3c8tA:
undetectable		 5ergB-3c8tA:
21.99
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.
3cue TRANSPORT PROTEIN
PARTICLE 31 KDA
SUBUNIT
TRANSPORT PROTEIN
PARTICLE 22 KDA
SUBUNIT

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF04051
(TRAPP)
PF04051
(TRAPP) 		5 ILE D  68
GLY D 150
SER D 151
ARG D  66
LEU B  65
 None
 1.21A 5ergB-3cueD:
undetectable		 5ergB-3cueD:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3deg GTP-BINDING PROTEIN
LEPA

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		5 ILE C  76
SER C  58
VAL C 169
CYH C 161
LEU C  20
 None
 1.22A 5ergB-3degC:
undetectable		 5ergB-3degC:
22.04
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ILE A 500
VAL A 501
GLY A 400
VAL A 460
LEU A 485
 None
 1.18A 5ergB-3dy5A:
undetectable		 5ergB-3dy5A:
16.62
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.
3f08 UNCHARACTERIZED
PROTEIN Q6HG14

(Bacillus
thuringiensis) 		PF10604
(Polyketide_cyc2) 		5 GLN A  89
ILE A  88
GLY A  22
PHE A  24
ARG A  68
 None
 1.19A 5ergB-3f08A:
undetectable		 5ergB-3f08A:
17.46
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.
3fxi TOLL-LIKE RECEPTOR 4

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 VAL A 197
SER A 172
HIS A 179
VAL A 157
LEU A 182
 None
None
NAG  A 721 (-4.1A)
None
None
 1.20A 5ergB-3fxiA:
undetectable		 5ergB-3fxiA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gb4 DDMC

(Stenotrophomonas
maltophilia) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 GLY A 266
SER A 267
VAL A 144
CYH A 146
LEU A 151
 None
 1.14A 5ergB-3gb4A:
undetectable		 5ergB-3gb4A:
23.81
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.
3god CAS1

(Pseudomonas
aeruginosa) 		PF01867
(Cas_Cas1) 		5 ILE A  52
GLY A  78
VAL A 101
CYH A  84
LEU A  59
 None
 1.17A 5ergB-3godA:
undetectable		 5ergB-3godA:
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.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 ILE A 189
GLY A 186
SER A 187
VAL A 238
LEU A 203
 None
 1.14A 5ergB-3grzA:
14.1		 5ergB-3grzA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ics COENZYME A-DISULFIDE
REDUCTASE

(Bacillus
anthracis) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A  54
VAL A  53
GLY A  45
VAL A 158
LEU A 172
 None
 1.11A 5ergB-3icsA:
2.9		 5ergB-3icsA:
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.
3js3 3-DEHYDROQUINATE
DEHYDRATASE

(Clostridioides
difficile) 		PF01487
(DHquinase_I) 		5 ILE A 140
VAL A 139
ARG A  49
VAL A  62
LEU A 101
 None
None
DHS  A 301 (-4.2A)
None
None
 1.12A 5ergB-3js3A:
undetectable		 5ergB-3js3A:
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.
3k2z LEXA REPRESSOR

(Thermotoga
maritima) 		PF00717
(Peptidase_S24)
PF01726
(LexA_DNA_bind) 		5 GLY A 142
PHE A 158
HIS A 124
VAL A 131
LEU A 155
 None
 1.15A 5ergB-3k2zA:
undetectable		 5ergB-3k2zA:
21.20
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.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		6 GLN A  75
ILE A  76
VAL A  77
GLY A 105
LEU A 170
PRO A 171
 None
SAH  A 301 (-4.3A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.2A)
SAH  A 301 (-4.8A)
 0.79A 5ergB-3lgaA:
23.4		 5ergB-3lgaA:
26.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Clostridium
perfringens) 		PF14010
(PEPcase_2) 		5 ILE A 210
GLY A 212
SER A 211
HIS A 248
PRO A 404
 None
 1.09A 5ergB-3odmA:
undetectable		 5ergB-3odmA:
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.
3p40 NEUROFASCIN

(Homo sapiens) 		PF13927
(Ig_3) 		5 ILE A 325
GLY A 323
SER A 324
VAL A 239
PRO A 157
 None
 1.18A 5ergB-3p40A:
undetectable		 5ergB-3p40A:
21.63
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.
3p94 GDSL-LIKE LIPASE

(Parabacteroides
distasonis) 		PF13472
(Lipase_GDSL_2) 		5 ILE A 103
VAL A 102
GLY A  52
PHE A  50
LEU A  96
 None
 0.98A 5ergB-3p94A:
undetectable		 5ergB-3p94A:
21.82
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.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 GLN B 271
ILE B 295
GLY B 297
PHE B 293
PRO B 282
 None
None
None
GRG  B 334 (-4.7A)
None
 1.13A 5ergB-3pz2B:
undetectable		 5ergB-3pz2B:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q6a UNCHARACTERIZED
PROTEIN

(Staphylococcus
saprophyticus) 		PF08327
(AHSA1) 		5 GLY A  27
SER A  32
PHE A  31
VAL A  90
LEU A 116
 None
 0.95A 5ergB-3q6aA:
undetectable		 5ergB-3q6aA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		5 ILE A 389
VAL A 386
SER A 453
PHE A 449
HIS A 516
 None
 1.11A 5ergB-3rm5A:
undetectable		 5ergB-3rm5A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s2w TRANSCRIPTIONAL
REGULATOR, MARR
FAMILY

(Methanosarcina
mazei) 		PF01047
(MarR) 		5 GLY A  46
SER A  47
PHE A  50
VAL A 105
LEU A  67
 GLY  A  46 (-0.0A)
SER  A  47 (-0.0A)
PHE  A  50 ( 1.3A)
VAL  A 105 ( 0.6A)
LEU  A  67 ( 0.6A)
 1.04A 5ergB-3s2wA:
undetectable		 5ergB-3s2wA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v70 GTPASE IMAP FAMILY
MEMBER 1

(Homo sapiens) 		PF04548
(AIG1) 		5 GLY A  69
SER A  70
VAL A 150
CYH A 186
LEU A 204
 None
 1.07A 5ergB-3v70A:
undetectable		 5ergB-3v70A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vzx HEPTAPRENYLGLYCERYL
PHOSPHATE SYNTHASE

(Bacillus
subtilis) 		PF01884
(PcrB) 		5 ILE A 205
VAL A 204
GLY A 186
PHE A 184
LEU A 178
 None
 1.15A 5ergB-3vzxA:
undetectable		 5ergB-3vzxA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wq4 BETA-PRIMEVEROSIDASE

(Camellia
sinensis) 		PF00232
(Glyco_hydro_1) 		5 ILE A 412
VAL A 411
GLY A 459
ARG A 111
VAL A 195
 None
 1.14A 5ergB-3wq4A:
undetectable		 5ergB-3wq4A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE

(Pseudomonas sp.
VM15C) 		no annotation 5 VAL A 247
GLY A 197
SER A 196
HIS A 226
PRO A 343
 None
 1.04A 5ergB-3wweA:
2.9		 5ergB-3wweA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zua ALPHA-HEMOLYSIN
TRANSLOCATION
ATP-BINDING PROTEIN
HLYB

(Escherichia
coli) 		PF03412
(Peptidase_C39) 		5 VAL A  60
GLY A 120
VAL A  89
LEU A  72
PRO A  73
 None
 1.11A 5ergB-3zuaA:
undetectable		 5ergB-3zuaA:
16.93
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.
4ayx ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
10

(Homo sapiens) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 ILE A 443
VAL A 441
GLY A 447
SER A 444
VAL A 330
 None
 1.08A 5ergB-4ayxA:
undetectable		 5ergB-4ayxA:
19.93
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.
4dok SIMILARITY TO
CHALCONE-FLAVONONE
ISOMERASE

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		5 GLN A 182
ILE A  88
VAL A  87
GLY A  46
VAL A 207
 None
 1.11A 5ergB-4dokA:
undetectable		 5ergB-4dokA:
18.65
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.
4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 ILE A 999
GLY A 903
HIS A 932
LEU A 891
PRO A 892
 None
 0.84A 5ergB-4dqkA:
3.7		 5ergB-4dqkA:
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.
4f4h GLUTAMINE DEPENDENT
NAD+ SYNTHETASE

(Burkholderia
thailandensis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 ILE A 405
VAL A 406
GLY A 298
VAL A 350
LEU A 313
 None
 1.15A 5ergB-4f4hA:
3.3		 5ergB-4f4hA:
20.24
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.
4f9z ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 27

(Homo sapiens) 		no annotation 5 VAL D 208
SER D 210
PHE D 212
VAL D 240
LEU D 166
 None
 1.16A 5ergB-4f9zD:
undetectable		 5ergB-4f9zD:
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.
4flc ADENYLOSUCCINATE
LYASE

(Homo sapiens) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 VAL A 198
GLY A 203
ARG A 329
VAL A 247
LEU A 121
 None
 1.18A 5ergB-4flcA:
undetectable		 5ergB-4flcA:
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.
4hf7 PUTATIVE
ACYLHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13472
(Lipase_GDSL_2) 		5 ILE A 111
VAL A 110
GLY A  60
PHE A  58
LEU A 104
 None
 1.05A 5ergB-4hf7A:
undetectable		 5ergB-4hf7A:
20.11
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.
4ix8 TYROSINE
AMINOTRANSFERASE

(Leishmania
infantum) 		PF00155
(Aminotran_1_2) 		5 ILE A 280
GLY A 282
VAL A 181
CYH A 182
LEU A 158
 None
 1.19A 5ergB-4ix8A:
undetectable		 5ergB-4ix8A:
21.70
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.
4iyj GDSL-LIKE PROTEIN

(Bacteroides
uniformis) 		PF13472
(Lipase_GDSL_2) 		5 ILE A 103
VAL A 102
GLY A  52
PHE A  50
LEU A  96
 None
 0.95A 5ergB-4iyjA:
undetectable		 5ergB-4iyjA:
23.06
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.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos taurus) 		PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 GLN A 537
ILE A 607
VAL A 608
GLY A 605
PHE A 509
 None
 1.16A 5ergB-4kcaA:
undetectable		 5ergB-4kcaA:
20.09
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.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 VAL A 297
GLY A 300
VAL A 153
LEU A 284
PRO A 285
 None
 1.04A 5ergB-4ky0A:
undetectable		 5ergB-4ky0A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A 663
SER A 662
PHE A 661
HIS A 688
LEU A 705
 None
 1.09A 5ergB-4mn8A:
undetectable		 5ergB-4mn8A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLN A 300
VAL A  51
PHE A  58
VAL A 118
LEU A 121
 None
 1.00A 5ergB-4nsxA:
undetectable		 5ergB-4nsxA:
18.31
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.
4qhk UCA HEAVY CHAIN

(Homo sapiens) 		no annotation 5 GLY M 174
SER M 172
VAL M 150
LEU M 178
PRO M 167
 None
 1.14A 5ergB-4qhkM:
undetectable		 5ergB-4qhkM:
20.10
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.
4r9n LMO0547 PROTEIN

(Listeria
monocytogenes) 		PF04198
(Sugar-bind) 		5 ILE A 262
VAL A 261
GLY A 142
VAL A 275
LEU A 269
 None
 1.09A 5ergB-4r9nA:
2.2		 5ergB-4r9nA:
19.53
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.
4rdy PARATHION HYDROLASE

(Vulcanisaeta
moutnovskia) 		PF02126
(PTE) 		5 VAL A 174
SER A 172
PHE A 173
HIS A 256
VAL A 274
 None
 1.19A 5ergB-4rdyA:
undetectable		 5ergB-4rdyA:
21.07
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.
4u9o NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		5 ILE A  92
VAL A  72
HIS A 313
VAL A 323
LEU A 316
 None
 1.22A 5ergB-4u9oA:
undetectable		 5ergB-4u9oA:
24.60
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ILE A 476
VAL A 475
PHE A 501
VAL A 551
LEU A 608
 None
 0.81A 5ergB-4uozA:
undetectable		 5ergB-4uozA:
19.35
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.
4uup MALATE DEHYDROGENASE

(synthetic
construct) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A 107
SER A  88
VAL A  52
CYH A  53
LEU A  39
 NAI  A 345 (-3.5A)
NAI  A 345 (-4.3A)
None
None
None
 1.12A 5ergB-4uupA:
6.5		 5ergB-4uupA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 GLY A 300
SER A 299
PHE A 303
VAL A 470
PRO A 346
 None
 1.07A 5ergB-4uzuA:
undetectable		 5ergB-4uzuA:
20.94
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.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 VAL A  92
GLY A  88
PHE A  93
VAL A 263
LEU A 218
 None
 1.14A 5ergB-4wy5A:
2.3		 5ergB-4wy5A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xn3 TAIL SPIKE PROTEIN

(Salmonella
virus HK620) 		no annotation 5 ILE A 448
VAL A 449
SER A 489
PHE A 490
VAL A 442
 None
 1.18A 5ergB-4xn3A:
undetectable		 5ergB-4xn3A:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		8 ILE A  86
GLY A 115
SER A 116
HIS A 137
ARG A 140
VAL A 164
CYH A 165
PRO A 183
 SAH  A 301 ( 4.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.3A)
None
SAH  A 301 (-3.9A)
SAH  A 301 (-4.0A)
SAH  A 301 ( 3.5A)
SAH  A 301 (-4.0A)
 0.58A 5ergB-5ccxA:
29.0		 5ergB-5ccxA:
34.63
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.
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 VAL A 182
SER A 193
VAL A 257
CYH A 254
LEU A 168
 None
 1.18A 5ergB-5elxA:
3.1		 5ergB-5elxA:
21.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		12 GLN B  92
ILE B  93
VAL B  94
GLY B 122
SER B 123
PHE B 124
HIS B 141
ARG B 144
VAL B 169
CYH B 170
LEU B 204
PRO B 205
 None
SAM  B 401 ( 4.3A)
SAM  B 401 (-3.8A)
SAM  B 401 (-3.9A)
SAM  B 401 (-4.2A)
None
None
SAM  B 401 (-4.7A)
SAM  B 401 (-3.7A)
SAM  B 401 (-3.6A)
SAM  B 401 (-4.5A)
SAM  B 401 ( 4.9A)
 0.05A 5ergB-5ergB:
45.3		 5ergB-5ergB:
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLN A  46
ILE A  45
SER A  92
VAL A  52
LEU A  50
 None
 1.06A 5ergB-5gmsA:
2.7		 5ergB-5gmsA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT THETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 GLN q 373
ILE q 223
HIS q 245
VAL q 300
LEU q 332
 None
 0.98A 5ergB-5gw5q:
undetectable		 5ergB-5gw5q:
21.16
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.
5i1w CRMK

(Actinoalloteichus
sp. WH1-2216-6) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 197
VAL A 196
GLY A 191
PHE A 491
HIS A  64
 FAD  A 601 (-3.6A)
FAD  A 601 ( 4.1A)
FAD  A 601 (-3.3A)
None
FAD  A 601 ( 2.7A)
 1.09A 5ergB-5i1wA:
undetectable		 5ergB-5i1wA:
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.
5jnq PHOSPHO-N-ACETYLMURA
MOYL-PENTAPEPTIDE-TR
ANSFERASE

([Clostridium]
bolteae) 		PF00953
(Glycos_transf_4)
PF10555
(MraY_sig1) 		5 GLN A 115
ILE A 118
VAL A  82
GLY A 120
PHE A 122
 None
 1.15A 5ergB-5jnqA:
undetectable		 5ergB-5jnqA:
21.73
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.
5kju SHIKIMATE
O-HYDROXYCINNAMOYLTR
ANSFERASE

(Arabidopsis
thaliana) 		PF02458
(Transferase) 		5 ILE A 302
VAL A 301
GLY A 158
HIS A  35
CYH A  86
 6TO  A 800 (-4.2A)
None
6TO  A 800 (-3.5A)
None
None
 1.14A 5ergB-5kjuA:
undetectable		 5ergB-5kjuA:
21.94
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.
5mob SLPYL1_ABA

(Solanum
lycopersicum) 		PF10604
(Polyketide_cyc2) 		5 VAL A 160
SER A 179
HIS A  97
VAL A 118
CYH A 102
 None
 1.18A 5ergB-5mobA:
undetectable		 5ergB-5mobA:
22.16
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ILE A 413
GLY A 352
SER A 349
PHE A 348
LEU A 435
 None
 1.03A 5ergB-5n28A:
undetectable		 5ergB-5n28A:
21.47
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.
5njj PROTEIN NUMB HOMOLOG

(Homo sapiens) 		no annotation 5 GLN A 109
VAL A  90
PHE A  39
HIS A  46
VAL A  62
 None
 1.23A 5ergB-5njjA:
undetectable		 5ergB-5njjA:
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ILE A 111
VAL A 112
GLY A 107
VAL A 285
LEU A 271
 None
None
GLC  A 501 (-3.7A)
None
None
 1.18A 5ergB-5od2A:
4.2		 5ergB-5od2A:
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		5 VAL A 148
PHE A 175
ARG A  63
VAL A 124
LEU A 471
 None
 1.10A 5ergB-5x5tA:
4.1		 5ergB-5x5tA:
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.
5xqw FAB FRAGMENT OF
CATALYTIC ANTIBODY
7B9, HEAVY CHAIN

(Mus musculus) 		no annotation 5 GLY H 157
SER H 156
HIS H 164
VAL H 136
LEU H 138
 None
 1.18A 5ergB-5xqwH:
undetectable		 5ergB-5xqwH:
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.
6b1z GLUTAMATE--TRNA
LIGASE

(Elizabethkingia
anophelis) 		PF00749
(tRNA-synt_1c) 		5 ILE A 219
VAL A 218
GLY A 221
VAL A 183
LEU A 173
 None
 1.02A 5ergB-6b1zA:
2.2		 5ergB-6b1zA:
22.33
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.
6c6y JC57-14 HEAVY CHAIN

(Macaca mulatta) 		no annotation 5 GLY A 174
SER A 172
VAL A 150
LEU A 178
PRO A 167
 None
 1.19A 5ergB-6c6yA:
undetectable		 5ergB-6c6yA:
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.
6ewp CENTROSOMAL PROTEIN
OF 120 KDA

(Mus musculus) 		no annotation 5 SER A 592
ARG A 595
VAL A 475
CYH A 477
LEU A 537
 None
 1.20A 5ergB-6ewpA:
2.0		 5ergB-6ewpA:
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 POLYSULPHIDE
REDUCTASE NRFD
ACTF

(Rhodothermus
marinus;
Rhodothermus
marinus) 		no annotation
no annotation 		5 GLY F  79
SER F  80
PHE F  83
VAL C 314
LEU F  89
 None
 1.15A 5ergB-6f0kF:
undetectable		 5ergB-6f0kF:
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.
6fn4 UIC2 ANTIGEN BINDING
FRAGMENT HEAVY CHAIN

(Mus musculus) 		no annotation 5 ILE C 101
SER C  52
PHE C  50
ARG C  98
PRO C 108
 None
 1.15A 5ergB-6fn4C:
undetectable		 5ergB-6fn4C:
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.
6fv5 QUEUINE
TRNA-RIBOSYLTRANSFER
ASE ACCESSORY
SUBUNIT 2

(Mus musculus) 		no annotation 5 GLN A 133
ILE A 189
VAL A 188
GLY A 191
HIS A  97
 None
 0.97A 5ergB-6fv5A:
undetectable		 5ergB-6fv5A:
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.
6g1o -

(-) 		no annotation 5 GLN A 211
ILE A 257
VAL A 256
VAL A 365
LEU A 377
 CA  A 501 ( 4.7A)
None
None
None
None
 1.20A 5ergB-6g1oA:
undetectable		 5ergB-6g1oA:
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.
6g1o -

(-) 		no annotation 5 ILE A 257
VAL A 256
GLY A 345
VAL A 365
LEU A 377
 None
 1.16A 5ergB-6g1oA:
undetectable		 5ergB-6g1oA:
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.
1b8a PROTEIN
(ASPARTYL-TRNA
SYNTHETASE)

(Thermococcus
kodakarensis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 GLY A 293
GLY A 296
GLU A 298
ASP A 294
 None
 0.68A 5ergB-1b8aA:
undetectable		 5ergB-1b8aA:
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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 129
GLY A 131
GLU A 152
ASP A 232
 FAD  A 600 (-3.0A)
FAD  A 600 (-3.5A)
FAD  A 600 (-2.5A)
FAD  A 600 (-3.9A)
 0.81A 5ergB-1bhyA:
2.9		 5ergB-1bhyA:
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.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		4 GLY A 275
SER A 276
ASP A  34
ASP A 271
 SAH  A 401 (-3.5A)
SAH  A 401 (-2.7A)
SAH  A 401 (-4.0A)
SAH  A 401 ( 4.8A)
 0.70A 5ergB-1booA:
3.9		 5ergB-1booA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		4 GLY A 275
SER A 276
GLU A 294
ASP A  34
 SAH  A 401 (-3.5A)
SAH  A 401 (-2.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.0A)
 0.75A 5ergB-1booA:
3.9		 5ergB-1booA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		4 GLY A  83
GLY A  85
GLU A 107
ASP A 134
 SAH  A 699 (-3.2A)
SAH  A 699 (-3.5A)
SAH  A 699 (-2.9A)
SAH  A 699 (-3.5A)
 0.71A 5ergB-1dl5A:
11.5		 5ergB-1dl5A:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 GLY A 217
GLY A 219
SER A 220
ASP A 260
 SAM  A1699 (-3.6A)
None
None
SAM  A1699 (-3.8A)
 0.70A 5ergB-1fpqA:
10.2		 5ergB-1fpqA:
22.28
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.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		6 GLY A 107
GLY A 109
SER A 110
GLU A 131
ASP A 161
ASP A 178
 SAM  A 301 (-2.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.4A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
 0.63A 5ergB-1i9gA:
23.7		 5ergB-1i9gA:
25.65
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 GLY A  99
GLY A 101
SER A 102
GLU A 121
ASP A 148
 ADN  A 500 (-3.2A)
ADN  A 500 (-3.4A)
None
ADN  A 500 (-2.9A)
ADN  A 500 (-3.7A)
 0.77A 5ergB-1jg3A:
11.5		 5ergB-1jg3A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1khh GUANIDINOACETATE
METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 GLY A  67
GLY A  69
GLU A  89
ASP A 134
 SAH  A 236 (-3.3A)
SAH  A 236 (-3.2A)
SAH  A 236 (-2.8A)
SAH  A 236 (-3.4A)
 0.56A 5ergB-1khhA:
12.7		 5ergB-1khhA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5x SURVIVAL PROTEIN E

(Pyrobaculum
aerophilum) 		PF01975
(SurE) 		4 GLY A  15
GLY A  91
SER A  90
ASP A   9
 None
 0.76A 5ergB-1l5xA:
2.2		 5ergB-1l5xA:
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A  82
GLY A  84
ASP A 141
ASP A 158
 None
 0.82A 5ergB-1mjfA:
10.1		 5ergB-1mjfA:
21.32
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.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		4 GLY A  79
GLY A  81
PHE A 102
ASP A 158
 SAH  A2002 (-4.0A)
SAH  A2002 (-3.0A)
SAH  A2002 (-4.4A)
SAH  A2002 (-3.6A)
 0.54A 5ergB-1n7jA:
10.5		 5ergB-1n7jA:
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.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		4 GLY A  65
GLU A  88
ASP A 113
ASP A 133
 SAM  A 301 ( 3.8A)
SAM  A 301 (-2.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.7A)
 0.62A 5ergB-1nt2A:
12.7		 5ergB-1nt2A:
20.10
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.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		6 GLY A 108
GLY A 110
SER A 111
GLU A 132
ASP A 160
ASP A 176
 None
None
CL  A 266 ( 4.4A)
None
None
None
 0.70A 5ergB-1o54A:
23.9		 5ergB-1o54A:
26.28
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.
1o9g RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF11599
(AviRa) 		4 GLY A  61
SER A  62
ASP A 153
ASP A  57
 None
 0.82A 5ergB-1o9gA:
12.2		 5ergB-1o9gA:
20.42
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.
1p22 F-BOX/WD-REPEAT
PROTEIN 1A

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		4 GLY A 446
SER A 445
ASP A 489
ASP A 449
 None
 0.79A 5ergB-1p22A:
undetectable		 5ergB-1p22A:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		4 GLY A  45
GLY A  47
GLU A  66
ASP A  91
 None
 0.70A 5ergB-1qyrA:
12.2		 5ergB-1qyrA:
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.
1rc6 HYPOTHETICAL PROTEIN
YLBA

(Escherichia
coli) 		PF05899
(Cupin_3)
PF07883
(Cupin_2) 		4 GLY A1080
GLY A1114
SER A1115
GLU A1079
 None
 0.66A 5ergB-1rc6A:
undetectable		 5ergB-1rc6A:
22.37
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.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		4 GLY A  78
GLY A  80
GLU A  99
ASP A 124
 None
 0.70A 5ergB-1vbfA:
10.6		 5ergB-1vbfA:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		4 GLY A  57
GLY A  59
GLU A  79
ASP A 105
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-2.8A)
SAH  A1001 (-3.2A)
 0.56A 5ergB-1wy7A:
14.5		 5ergB-1wy7A:
20.42
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.
1xcj GUANIDINOACETATE
N-METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 GLY A  67
GLY A  69
GLU A  89
ASP A 134
 SAH  A 236 (-3.4A)
SAH  A 236 (-3.3A)
SAH  A 236 (-2.9A)
NMG  A 237 ( 3.0A)
 0.53A 5ergB-1xcjA:
13.0		 5ergB-1xcjA:
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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A 258
GLY A 260
SER A 261
ASP A 553
 None
 0.78A 5ergB-1xkhA:
undetectable		 5ergB-1xkhA:
20.26
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.
1yb2 HYPOTHETICAL PROTEIN
TA0852

(Thermoplasma
acidophilum) 		PF08704
(GCD14) 		6 GLY A  98
GLY A 100
SER A 101
GLU A 122
ASP A 150
ASP A 166
 None
 0.81A 5ergB-1yb2A:
16.1		 5ergB-1yb2A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		4 GLY A  64
GLY A  66
GLU A  85
ASP A 113
 SAM  A4000 (-3.1A)
SAM  A4000 (-3.2A)
SAM  A4000 (-2.8A)
SAM  A4000 (-3.8A)
 0.57A 5ergB-1zq9A:
13.7		 5ergB-1zq9A:
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.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		4 GLY A  63
GLY A  65
PHE A  86
ASP A 142
 SAH  A4001 (-3.9A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.6A)
SAH  A4001 (-3.7A)
 0.52A 5ergB-2a14A:
11.5		 5ergB-2a14A:
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.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		6 GLY A 111
GLY A 113
SER A 114
GLU A 135
ASP A 173
ASP A 192
 SAM  A 601 (-2.9A)
SAM  A 601 (-3.2A)
SAM  A 601 (-4.8A)
SAM  A 601 (-2.9A)
SAM  A 601 (-3.4A)
SAM  A 601 (-3.5A)
 0.76A 5ergB-2b25A:
22.0		 5ergB-2b25A:
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.
2di8 FILAMIN-B

(Homo sapiens) 		PF00630
(Filamin) 		4 GLY A   9
GLY A   7
SER A   6
ASP A  38
 None
 0.68A 5ergB-2di8A:
undetectable		 5ergB-2di8A:
15.49
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.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		4 GLY A  62
SER A  63
GLU A  82
ASP A 127
 None
 0.76A 5ergB-2fpoA:
15.6		 5ergB-2fpoA:
23.00
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.
2gv8 MONOOXYGENASE

(Schizosaccharomyces
pombe) 		PF00743
(FMO-like)
PF13450
(NAD_binding_8) 		4 GLY A  13
GLY A  15
GLU A  38
ASP A 137
 FAD  A 500 (-3.1A)
FAD  A 500 (-3.4A)
FAD  A 500 (-2.5A)
FAD  A 500 (-4.2A)
 0.65A 5ergB-2gv8A:
3.1		 5ergB-2gv8A:
22.49
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.
2hjs USG-1 PROTEIN
HOMOLOG

(Pseudomonas
aeruginosa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 GLY A  11
GLY A  14
SER A  15
ASP A  58
 None
DIO  A 407 (-3.5A)
DIO  A 407 ( 3.0A)
None
 0.65A 5ergB-2hjsA:
undetectable		 5ergB-2hjsA:
20.10
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.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		4 GLY A 168
GLU A 192
ASP A 217
ASP A 237
 MTA  A4001 (-3.3A)
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
 0.58A 5ergB-2ipxA:
15.4		 5ergB-2ipxA:
20.64
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.
2odl ADHESIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		4 GLY A 401
GLY A 376
ASP A 434
ASP A 400
 None
 0.80A 5ergB-2odlA:
undetectable		 5ergB-2odlA:
23.28
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.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 GLY A 172
GLY A 342
SER A 338
PHE A  58
 None
 0.69A 5ergB-2p8uA:
undetectable		 5ergB-2p8uA:
21.67
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 124
GLY A 126
ASP A 178
ASP A 196
 S4M  A 501 (-3.4A)
S4M  A 501 ( 4.4A)
S4M  A 501 (-3.3A)
S4M  A 501 (-2.6A)
 0.79A 5ergB-2pt6A:
9.5		 5ergB-2pt6A:
20.46
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 GLY A  86
GLY A  88
GLU A 121
ASP A 176
 None
 0.58A 5ergB-2qy6A:
9.4		 5ergB-2qy6A:
20.36
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 GLY A  86
GLY A  88
GLU A 121
ASP A 198
 None
 0.41A 5ergB-2qy6A:
9.4		 5ergB-2qy6A:
20.36
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.
2v4n MULTIFUNCTIONAL
PROTEIN SUR E

(Salmonella
enterica) 		PF01975
(SurE) 		4 GLY A  15
GLY A  90
SER A  89
ASP A   9
 None
None
None
MG  A1254 (-2.7A)
 0.76A 5ergB-2v4nA:
2.2		 5ergB-2v4nA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vwq GLUCOSE
DEHYDROGENASE

(Haloferax
mediterranei) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		4 GLY A 180
GLY A 182
SER A 183
ASP A 227
 NAP  A 500 ( 3.9A)
NAP  A 500 (-3.3A)
NAP  A 500 (-3.6A)
None
 0.74A 5ergB-2vwqA:
7.0		 5ergB-2vwqA:
22.93
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.
2x9a ATTACHMENT PROTEIN
G3P
MEMBRANE SPANNING
PROTEIN, REQUIRED
FOR OUTER MEMBRANE
INTEGRITY

(Escherichia
virus If1;
Escherichia
coli) 		PF05357
(Phage_Coat_A)
PF06519
(TolA) 		4 GLY A  42
GLY A  44
ASP A  14
ASP B 417
 None
 0.79A 5ergB-2x9aA:
undetectable		 5ergB-2x9aA:
9.14
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.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		6 GLY A  99
GLY A 101
SER A 102
GLU A 120
ASP A 148
ASP A 165
 SAM  A 601 (-3.2A)
SAM  A 601 (-3.5A)
SAM  A 601 (-4.6A)
SAM  A 601 (-2.7A)
SAM  A 601 (-3.1A)
SAM  A 601 (-3.4A)
 0.76A 5ergB-2yvlA:
23.1		 5ergB-2yvlA:
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.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		4 GLY A  85
GLY A  87
GLU A 109
ASP A 136
 None
 0.64A 5ergB-2yxeA:
11.9		 5ergB-2yxeA:
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A  84
GLU A 107
ASP A 144
ASP A 161
 None
None
None
AG3  A1001 (-2.8A)
 0.77A 5ergB-2zsuA:
10.4		 5ergB-2zsuA:
21.52
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A  84
GLY A  86
ASP A 144
ASP A 161
 None
None
None
AG3  A1001 (-2.8A)
 0.67A 5ergB-2zsuA:
10.4		 5ergB-2zsuA:
21.52
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		4 GLY A 241
GLY A 243
GLU A 262
ASP A 288
 SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 (-2.7A)
SAH  A 376 (-4.1A)
 0.75A 5ergB-2zwvA:
13.9		 5ergB-2zwvA:
22.41
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.
3bew MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I
GLYCOPROTEIN
HAPLOTYPE B21

(Gallus gallus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 GLY A 109
GLY A  98
ASP A 124
ASP A 100
 None
 0.82A 5ergB-3bewA:
undetectable		 5ergB-3bewA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		4 GLY A  42
GLY A  44
GLU A  66
ASP A  86
 None
None
None
SO4  A 201 (-4.4A)
 0.64A 5ergB-3c85A:
7.9		 5ergB-3c85A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fii BOTULINUM NEUROTOXIN
TYPE F

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 GLY A 186
GLY A 188
SER A 189
ASP A 185
 None
 0.79A 5ergB-3fiiA:
undetectable		 5ergB-3fiiA:
22.10
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		4 GLY A  54
GLY A  56
GLU A  75
ASP A  99
 None
 0.48A 5ergB-3futA:
12.4		 5ergB-3futA:
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		4 GLY A  38
GLY A  40
GLU A  59
ASP A  84
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.7A)
 0.66A 5ergB-3gryA:
14.5		 5ergB-3gryA:
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.
3iht S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE

(Ruegeria
pomeroyi) 		PF12692
(Methyltransf_17) 		4 GLY A  47
GLY A  49
GLU A  70
ASP A  90
 SAM  A 200 (-3.3A)
SAM  A 200 (-3.2A)
SAM  A 200 (-2.7A)
SAM  A 200 (-3.2A)
 0.65A 5ergB-3ihtA:
9.6		 5ergB-3ihtA:
18.49
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.
3lbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Escherichia
coli) 		PF01135
(PCMT) 		5 GLY A  83
GLY A  85
SER A  86
GLU A 104
ASP A 131
 SAH  A 300 (-3.4A)
SAH  A 300 (-3.4A)
SAH  A 300 (-2.5A)
SAH  A 300 (-2.9A)
SAH  A 300 (-3.7A)
 0.72A 5ergB-3lbfA:
12.8		 5ergB-3lbfA:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		6 GLY A 101
GLY A 103
SER A 104
GLU A 125
ASP A 153
ASP A 169
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.4A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.6A)
 0.50A 5ergB-3lgaA:
23.4		 5ergB-3lgaA:
26.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll1 GRIFFITHSIN

(Griffithsia sp.
Q66D336) 		PF01419
(Jacalin) 		4 GLY A  66
GLY A   8
SER A 113
ASP A  67
 CL  A 121 ( 4.5A)
None
None
None
 0.79A 5ergB-3ll1A:
undetectable		 5ergB-3ll1A:
16.80
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.
3ll7 PUTATIVE
METHYLTRANSFERASE

(Porphyromonas
gingivalis) 		no annotation 4 GLY A 100
GLU A 119
ASP A 148
ASP A 167
 EDO  A 507 ( 3.8A)
None
None
EDO  A 507 (-4.1A)
 0.65A 5ergB-3ll7A:
11.5		 5ergB-3ll7A:
23.09
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.
3orh GUANIDINOACETATE
N-METHYLTRANSFERASE

(Homo sapiens) 		no annotation 4 GLY A  68
GLY A  70
GLU A  90
ASP A 135
 SAH  A4000 (-3.4A)
SAH  A4000 (-3.3A)
SAH  A4000 (-2.7A)
SAH  A4000 (-3.7A)
 0.56A 5ergB-3orhA:
12.6		 5ergB-3orhA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p9n POSSIBLE
METHYLTRANSFERASE
(METHYLASE)

(Mycobacterium
tuberculosis) 		PF03602
(Cons_hypoth95) 		4 GLY A  53
SER A  54
GLU A  73
ASP A 119
 None
 0.71A 5ergB-3p9nA:
15.0		 5ergB-3p9nA:
21.00
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		4 GLY A 429
GLY A 427
SER A 424
ASP A 796
 None
 0.83A 5ergB-3pgbA:
undetectable		 5ergB-3pgbA:
19.58
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  68
GLU A 101
ASP A 156
ASP A 178
 SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 (-2.6A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.4A)
 0.61A 5ergB-3ps9A:
10.5		 5ergB-3ps9A:
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  68
GLU A 101
PHE A 103
ASP A 178
 SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 (-2.6A)
SAM  A 670 (-4.8A)
SAM  A 670 (-3.4A)
 1.12A 5ergB-3ps9A:
10.5		 5ergB-3ps9A:
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLY A  66
GLY A  68
GLU A 101
ASP A 156
 None
 0.72A 5ergB-3pvcA:
3.3		 5ergB-3pvcA:
18.10
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLY A  66
GLY A  68
GLU A 101
ASP A 178
 None
 0.60A 5ergB-3pvcA:
3.3		 5ergB-3pvcA:
18.10
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.
3rom ADP-RIBOSYL CYCLASE
1

(Homo sapiens) 		PF02267
(Rib_hydrolayse) 		4 GLY A 245
GLY A 210
ASP A 282
ASP A 249
 None
 0.76A 5ergB-3romA:
undetectable		 5ergB-3romA:
21.07
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 101
GLY A 103
ASP A 155
ASP A 173
 DSH  A 303 (-3.4A)
DSH  A 303 (-3.5A)
DSH  A 303 (-3.5A)
DSH  A 303 (-3.0A)
 0.68A 5ergB-3rw9A:
8.9		 5ergB-3rw9A:
20.80
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		4 GLY A 331
SER A 332
ASP A 388
ASP A 327
 SAH  A 900 (-3.2A)
SAH  A 900 (-2.6A)
SAH  A 900 (-4.1A)
None
 0.74A 5ergB-3s1sA:
9.6		 5ergB-3s1sA:
19.10
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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 4 GLY A 204
GLY A 206
ASP A 252
ASP A 275
 SAH  A 601 (-3.5A)
SAH  A 601 (-3.2A)
SAH  A 601 (-3.6A)
MG  A 501 ( 2.8A)
 0.64A 5ergB-3ssmA:
10.5		 5ergB-3ssmA:
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.
3sz7 HSC70 COCHAPERONE
(SGT)

(Aspergillus
fumigatus) 		PF13181
(TPR_8)
PF13414
(TPR_11) 		4 GLY A 215
GLY A 213
GLU A 212
ASP A 218
 None
 0.70A 5ergB-3sz7A:
undetectable		 5ergB-3sz7A:
16.93
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		4 GLY A  46
GLY A  48
GLU A  71
ASP A  94
 None
 0.48A 5ergB-3uzuA:
11.7		 5ergB-3uzuA:
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		4 GLY A 104
GLY A 106
GLU A 133
ASP A 193
 SAM  A 501 (-3.6A)
SAM  A 501 (-3.3A)
SAM  A 501 (-2.3A)
SAM  A 501 (-3.8A)
 0.39A 5ergB-3vywA:
10.7		 5ergB-3vywA:
23.90
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.
3wiw GLYCOSYL HYDROLASE
FAMILY 88

(Pedobacter
heparinus) 		PF07470
(Glyco_hydro_88) 		4 GLY A  76
GLY A  80
PHE A 119
ASP A 116
 None
None
None
EPE  A 501 (-2.8A)
 0.81A 5ergB-3wiwA:
undetectable		 5ergB-3wiwA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		4 GLY A  85
GLU A 109
ASP A 134
ASP A 154
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.6A)
 0.37A 5ergB-4df3A:
12.8		 5ergB-4df3A:
20.88
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		4 GLY A  63
GLY A  65
GLU A  85
ASP A 111
 ACT  A 402 (-3.4A)
None
ACT  A 402 (-2.9A)
None
 0.48A 5ergB-4gc5A:
11.4		 5ergB-4gc5A:
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.
4h18 CMT1

(Corynebacterium
glutamicum) 		PF00756
(Esterase) 		4 GLY A 277
GLY A 274
SER A 273
ASP A 109
 None
 0.77A 5ergB-4h18A:
undetectable		 5ergB-4h18A:
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.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 GLY A 299
GLU A 322
ASP A 261
ASP A 421
 G6Q  A 544 (-3.4A)
G6Q  A 544 (-2.3A)
None
None
 0.83A 5ergB-4hjhA:
undetectable		 5ergB-4hjhA:
22.78
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.
4iwh 3-ISOPROPYLMALATE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00180
(Iso_dh) 		4 GLY A  10
GLY A  12
ASP A 284
ASP A   9
 None
 0.76A 5ergB-4iwhA:
undetectable		 5ergB-4iwhA:
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.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		4 GLY A 239
GLY A 241
GLU A 261
ASP A 283
 AGS  A 502 (-3.3A)
AGS  A 502 (-3.1A)
AGS  A 502 (-2.4A)
AGS  A 502 (-2.9A)
 0.74A 5ergB-4j9vA:
9.6		 5ergB-4j9vA:
22.24
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.
4jd0 NUCLEOTIDYL
TRANSFERASE

(Thermotoga
maritima) 		PF00483
(NTP_transferase) 		4 GLY A  12
GLY A  10
SER A   9
ASP A 223
 None
GOL  A 314 (-3.3A)
None
None
 0.82A 5ergB-4jd0A:
2.0		 5ergB-4jd0A:
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.
4l7v PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Vibrio cholerae) 		PF01135
(PCMT) 		5 GLY A  83
GLY A  85
SER A  86
GLU A 104
ASP A 131
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.5A)
SAH  A 301 (-2.6A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
 0.71A 5ergB-4l7vA:
12.5		 5ergB-4l7vA:
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.
4le5 S-ADENOSYLMETHIONINE
SYNTHETASE

(Campylobacter
jejuni) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 GLY A 290
GLY A 286
SER A 285
PHE A 129
 None
 0.70A 5ergB-4le5A:
undetectable		 5ergB-4le5A:
23.41
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.
4m38 PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Trypanosoma
brucei) 		PF06325
(PrmA) 		4 GLY A 103
GLY A 105
SER A 106
GLU A 125
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-3.3A)
SAH  A 401 (-3.1A)
 0.42A 5ergB-4m38A:
11.8		 5ergB-4m38A:
21.62
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.
4nfu EDS1

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 GLY A  78
GLU A 449
ASP A 446
ASP A  81
 None
None
BGC  A 701 (-3.6A)
None
 0.83A 5ergB-4nfuA:
undetectable		 5ergB-4nfuA:
21.55
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.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		5 GLY A  80
GLY A  82
SER A  83
GLU A 104
ASP A 132
 SAH  A 500 (-3.1A)
SAH  A 500 (-3.3A)
SAH  A 500 (-2.9A)
SAH  A 500 (-2.8A)
SAH  A 500 (-4.0A)
 0.84A 5ergB-4o29A:
12.5		 5ergB-4o29A:
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.
4o5p UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF09994
(DUF2235) 		5 GLY A 118
SER A 130
GLU A 126
PHE A 121
ASP A 123
 None
 1.48A 5ergB-4o5pA:
undetectable		 5ergB-4o5pA:
17.01
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.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 4 GLY A1696
GLY A1698
ASP A1755
ASP A1779
 None
 0.62A 5ergB-4uclA:
8.4		 5ergB-4uclA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 124
GLY A 126
ASP A 178
ASP A 196
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-3.2A)
4ZY  A 501 ( 3.6A)
 0.77A 5ergB-4uoeA:
9.6		 5ergB-4uoeA:
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		4 GLY A 443
SER A 444
ASP A 101
ASP A 439
 None
 0.75A 5ergB-4zcfA:
5.2		 5ergB-4zcfA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zg5 5'-NUCLEOTIDASE SURE

(Brucella
abortus) 		no annotation 4 GLY D  15
GLY D  90
SER D  89
ASP D   9
 None
None
None
MG  D 301 (-2.6A)
 0.65A 5ergB-4zg5D:
undetectable		 5ergB-4zg5D:
21.80
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.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		4 GLY A  31
GLY A  33
GLU A  53
ASP A  81
 SAH  A 201 (-3.4A)
SAH  A 201 (-3.4A)
SAH  A 201 (-2.8A)
SAH  A 201 (-3.6A)
 0.68A 5ergB-5bxyA:
14.4		 5ergB-5bxyA:
17.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		6 GLY A 111
GLY A 113
SER A 114
GLU A 135
ASP A 163
ASP A 181
 SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-4.4A)
SAH  A 301 (-2.2A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.4A)
 0.55A 5ergB-5ccxA:
29.0		 5ergB-5ccxA:
34.63
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.
5eku ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		PF06325
(PrmA) 		4 GLY A 103
GLY A 105
SER A 106
GLU A 125
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.6A)
SAH  A 401 (-2.7A)
SAH  A 401 (-2.8A)
 0.52A 5ergB-5ekuA:
10.3		 5ergB-5ekuA:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		7 GLY B 118
GLY B 120
SER B 121
GLU B 139
PHE B 140
ASP B 168
ASP B 203
 SAM  B 401 (-3.4A)
SAM  B 401 (-3.3A)
SAM  B 401 (-3.1A)
SAM  B 401 (-2.9A)
SAM  B 401 (-4.8A)
SAM  B 401 (-3.5A)
SAM  B 401 (-3.3A)
 0.00A 5ergB-5ergB:
45.3		 5ergB-5ergB:
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.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		4 GLY A 179
GLY A 181
SER A 182
ASP A 229
 SAH  A 400 (-4.0A)
SAH  A 400 (-3.4A)
SAH  A 400 ( 4.7A)
SAH  A 400 (-4.1A)
 0.46A 5ergB-5f8eA:
11.7		 5ergB-5f8eA:
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.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		4 GLU E 108
PHE E 109
ASP E 133
ASP E 153
 SAH  E 301 (-3.0A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.7A)
 0.75A 5ergB-5ginE:
13.3		 5ergB-5ginE:
22.19
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.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		4 GLY E  84
GLU E 108
ASP E 133
ASP E 153
 SAH  E 301 (-3.8A)
SAH  E 301 (-3.0A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.7A)
 0.60A 5ergB-5ginE:
13.3		 5ergB-5ginE:
22.19
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.
5kss 5'-NUCLEOTIDASE SURE

(Xylella
fastidiosa) 		PF01975
(SurE) 		4 GLY A  15
GLY A  90
SER A  89
ASP A   9
 None
None
None
MN  A 501 (-3.1A)
 0.73A 5ergB-5kssA:
2.4		 5ergB-5kssA:
19.40
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		5 GLY A 501
GLY A 503
GLU A 524
ASP A 551
ASP A 575
 SAH  A 705 (-3.5A)
SAH  A 705 (-3.6A)
SAH  A 705 (-2.7A)
SAH  A 705 (-3.4A)
SAH  A 705 (-3.6A)
 0.68A 5ergB-5wcjA:
12.4		 5ergB-5wcjA:
21.46
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.
5xhu FERREDOXIN--NADP
REDUCTASE

(Bacillus
subtilis) 		no annotation 4 GLY A  14
GLY A  16
GLU A  37
PHE A  38
 FAD  A1000 (-3.3A)
FAD  A1000 (-3.4A)
FAD  A1000 (-2.7A)
None
 0.72A 5ergB-5xhuA:
4.0		 5ergB-5xhuA:
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.
5yf0 -

(-) 		no annotation 4 GLY A 208
GLY A 210
GLU A 229
ASP A 295
 SAM  A 505 (-3.3A)
SAM  A 505 ( 3.9A)
SAM  A 505 (-2.9A)
SAM  A 505 (-3.6A)
 0.71A 5ergB-5yf0A:
11.1		 5ergB-5yf0A:
19.52
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 4 GLY A  62
GLU A  85
ASP A 113
ASP A 133
 SAM  A 302 (-3.4A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.6A)
 0.41A 5ergB-5zw4A:
16.9		 5ergB-5zw4A:
22.16
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.
6daw NON-HEME IRON
HYDROXYLASE

(Streptomyces
lusitanus) 		no annotation 4 GLY A 281
GLY A  69
ASP A  74
ASP A 282
 None
 0.81A 5ergB-6dawA:
undetectable		 5ergB-6dawA:
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.
6f5z 24-STEROL
C-METHYLTRANSFERASE

(Haloferax
volcanii) 		no annotation 4 GLY A  46
GLY A  48
SER A  49
ASP A  93
 SAH  A 301 (-3.5A)
SAH  A 301 ( 3.7A)
None
SAH  A 301 (-3.8A)
 0.69A 5ergB-6f5zA:
13.1		 5ergB-6f5zA:
undetectable