SIMILAR PATTERNS OF AMINO ACIDS FOR 3DH0_B_SAMB300

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 LEU A 292
GLY A 129
ALA A 106
THR A 107
LEU A  57
 None
 1.02A 3dh0B-1c3rA:
3.3		 3dh0B-1c3rA:
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.
1dml DNA POLYMERASE
PROCESSIVITY FACTOR
DNA POLYMERASE

(Human
alphaherpesvirus
1;
Human
alphaherpesvirus
1) 		PF02282
(Herpes_UL42)
PF11590
(DNAPolymera_Pol) 		6 GLY B1215
GLY B1217
VAL A 167
ALA B1220
THR B1223
LEU B1227
 None
 1.29A 3dh0B-1dmlB:
undetectable		 3dh0B-1dmlB:
15.04
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.
1ei6 PHOSPHONOACETATE
HYDROLASE

(Pseudomonas
fluorescens) 		PF01663
(Phosphodiest) 		5 ARG A 328
GLY A 343
GLY A 370
ALA A 318
LEU A 259
 None
 1.13A 3dh0B-1ei6A:
undetectable		 3dh0B-1ei6A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1exb KV BETA2 PROTEIN

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 ARG A 264
GLY A  55
GLY A 323
THR A  56
LEU A  99
 NDP  A1000 (-2.9A)
NDP  A1000 (-2.7A)
NDP  A1000 (-3.6A)
None
None
 1.10A 3dh0B-1exbA:
undetectable		 3dh0B-1exbA:
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.
1ggv DIENELACTONE
HYDROLASE

(Pseudomonas
putida) 		PF01738
(DLH) 		5 LEU A  63
GLY A  98
GLY A  96
MET A  93
ALA A 102
 None
 0.96A 3dh0B-1ggvA:
2.4		 3dh0B-1ggvA:
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.
1guz MALATE DEHYDROGENASE

(Chlorobaculum
tepidum;
Prosthecochloris
vibrioformis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 PHE A 225
GLY A  12
GLY A   9
ALA A  16
THR A  15
 None
None
NAD  A1306 (-3.2A)
None
None
 1.10A 3dh0B-1guzA:
5.8		 3dh0B-1guzA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 PHE A 225
GLY A  12
GLY A   9
ALA A  16
THR A  15
 None
None
NAD  A1306 (-3.2A)
None
None
 1.10A 3dh0B-1gv0A:
7.6		 3dh0B-1gv0A:
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.
1gyt CYTOSOL
AMINOPEPTIDASE

(Escherichia
coli) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 LEU A 203
GLY A 269
GLY A 271
MET A 294
LEU A 489
 None
 1.14A 3dh0B-1gytA:
undetectable		 3dh0B-1gytA:
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 LEU A  67
GLY A 154
PHE A 158
ALA A  76
LEU A 142
 None
None
None
None
SF4  A1027 (-4.0A)
 1.09A 3dh0B-1h7wA:
3.2		 3dh0B-1h7wA:
13.79
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.
1jvb NAD(H)-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 247
GLY A 180
GLY A 178
VAL A 220
THR A 185
 None
 1.06A 3dh0B-1jvbA:
6.7		 3dh0B-1jvbA:
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 LEU A  36
GLY A 588
GLY A  38
VAL A 121
LEU A  98
 None
 0.95A 3dh0B-1n5xA:
undetectable		 3dh0B-1n5xA:
9.61
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.
1nqz COA PYROPHOSPHATASE
(MUTT/NUDIX FAMILY
PROTEIN)

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		5 LEU A   8
GLY A  70
VAL A  40
THR A 181
LEU A 185
 None
 1.10A 3dh0B-1nqzA:
undetectable		 3dh0B-1nqzA:
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.
1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 GLY A 270
VAL A 267
ALA A 276
THR A 278
LEU A 256
 None
 1.08A 3dh0B-1nugA:
undetectable		 3dh0B-1nugA:
15.30
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.
1omo ALANINE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF02423
(OCD_Mu_crystall) 		5 GLY A 132
GLY A 134
GLN A 136
ALA A 155
LEU A 191
 GLY  A 132 ( 0.0A)
GLY  A 134 (-0.0A)
GLN  A 136 (-0.6A)
ALA  A 155 ( 0.0A)
LEU  A 191 ( 0.6A)
 1.10A 3dh0B-1omoA:
5.5		 3dh0B-1omoA:
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.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 GLY B 187
GLY B 191
VAL B 200
THR B 232
LEU B 209
 None
 1.00A 3dh0B-1pjmB:
undetectable		 3dh0B-1pjmB:
18.00
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.
1qge PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)

(Burkholderia
glumae) 		PF00561
(Abhydrolase_1) 		5 GLY D  62
GLY D  60
GLN D  88
ALA D  67
LEU D  83
 None
 1.08A 3dh0B-1qgeD:
undetectable		 3dh0B-1qgeD:
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.
1v6m GALACTOSE-BINDING
LECTIN

(Arachis
hypogaea) 		PF00139
(Lectin_legB) 		5 GLY A 210
GLY A 102
ALA A 208
THR A  35
LEU A  37
 None
 1.13A 3dh0B-1v6mA:
undetectable		 3dh0B-1v6mA:
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.
1ve5 THREONINE DEAMINASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 LEU A 246
GLY A 178
GLY A 180
PHE A 243
LEU A 282
 None
PLP  A 413 (-3.3A)
PLP  A 413 (-3.5A)
None
None
 1.06A 3dh0B-1ve5A:
2.6		 3dh0B-1ve5A:
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 LEU A 414
GLY A  70
PHE A 415
ALA A 417
LEU A 235
 None
 1.09A 3dh0B-1wytA:
2.5		 3dh0B-1wytA:
19.32
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.
1ys2 LIPASE

(Burkholderia
cepacia) 		PF00561
(Abhydrolase_1) 		5 GLY X  62
GLY X  60
GLN X  88
ALA X  67
LEU X  83
 None
 1.08A 3dh0B-1ys2X:
undetectable		 3dh0B-1ys2X:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a1f URIDYLATE KINASE

(Haemophilus
influenzae) 		PF00696
(AA_kinase) 		5 LEU A  18
GLY A  53
GLY A  15
ALA A  80
THR A  81
 None
 1.11A 3dh0B-2a1fA:
3.8		 3dh0B-2a1fA:
28.46
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.
2c91 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 ARG A 218
GLY A  11
GLY A 284
THR A  12
LEU A  54
 NAP  A 350 (-3.0A)
NAP  A 350 (-3.1A)
NAP  A 350 (-3.6A)
None
None
 1.02A 3dh0B-2c91A:
undetectable		 3dh0B-2c91A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dy0 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Escherichia
coli) 		PF00156
(Pribosyltran) 		5 GLY A  67
GLY A  71
VAL A 124
ALA A  65
LEU A 109
 None
 1.10A 3dh0B-2dy0A:
2.7		 3dh0B-2dy0A:
22.61
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.
2hbw NLP/P60 PROTEIN

(Trichormus
variabilis) 		PF00877
(NLPC_P60) 		5 GLY A 223
GLY A 221
VAL A 177
THR A 152
LEU A 141
 None
 1.12A 3dh0B-2hbwA:
undetectable		 3dh0B-2hbwA:
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.
2i3y EPIDIDYMAL SECRETORY
GLUTATHIONE
PEROXIDASE

(Homo sapiens) 		PF00255
(GSHPx) 		5 PHE A  56
GLY A 192
PHE A 186
VAL A  60
THR A  39
 None
 0.88A 3dh0B-2i3yA:
undetectable		 3dh0B-2i3yA:
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.
2ilr FANCONI ANEMIA GROUP
E PROTEIN

(Homo sapiens) 		PF11510
(FA_FANCE) 		5 LEU A 373
GLY A 413
ALA A 415
THR A 417
LEU A 452
 None
 0.99A 3dh0B-2ilrA:
undetectable		 3dh0B-2ilrA:
20.45
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.
2mas INOSINE-URIDINE
NUCLEOSIDE
N-RIBOHYDROLASE

(Crithidia
fasciculata) 		PF01156
(IU_nuc_hydro) 		6 GLY A 155
GLY A 153
PHE A 167
VAL A 291
ALA A 165
THR A 275
 None
None
PIR  A 400 ( 4.0A)
None
None
None
 1.26A 3dh0B-2masA:
4.7		 3dh0B-2masA:
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.
2qko POSSIBLE
TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		5 LEU A  19
GLY A  26
GLY A  23
ALA A  31
THR A  28
 None
 1.14A 3dh0B-2qkoA:
undetectable		 3dh0B-2qkoA:
24.08
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		6 LEU A 151
GLY A 152
PHE A 150
GLN A 120
THR A 270
LEU A  42
 None
 1.34A 3dh0B-2qo3A:
2.2		 3dh0B-2qo3A:
13.65
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 388
GLY A 383
GLY A 386
VAL A 451
ALA A 381
 None
 1.11A 3dh0B-2qo3A:
2.2		 3dh0B-2qo3A:
13.65
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.
2v4y URIDYLATE KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 LEU A  21
GLY A  56
GLY A  18
ALA A  83
THR A  84
 None
GTP  A1243 (-3.3A)
GTP  A1243 (-3.5A)
None
None
 1.14A 3dh0B-2v4yA:
undetectable		 3dh0B-2v4yA:
24.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v9y PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 LEU A 666
GLY A 613
VAL A 611
ALA A 615
LEU A 686
 None
 1.13A 3dh0B-2v9yA:
undetectable		 3dh0B-2v9yA:
22.75
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.
2va1 URIDYLATE KINASE

(Ureaplasma
parvum) 		PF00696
(AA_kinase) 		5 LEU A  15
GLY A  49
GLY A  12
ALA A  76
THR A  77
 None
PO4  A1236 (-3.3A)
PO4  A1236 (-3.6A)
None
None
 1.11A 3dh0B-2va1A:
undetectable		 3dh0B-2va1A:
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.
2wc1 FLAVODOXIN

(Rhodobacter
capsulatus) 		PF00258
(Flavodoxin_1) 		5 LEU A  94
GLY A 149
PHE A  95
VAL A 143
ALA A 110
 None
 1.07A 3dh0B-2wc1A:
undetectable		 3dh0B-2wc1A:
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 LEU A 121
GLY A 101
GLY A  99
ALA A 105
LEU A  78
 None
None
COA  A 760 ( 4.0A)
None
None
 0.96A 3dh0B-2x58A:
4.4		 3dh0B-2x58A:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ARG A 231
GLY A 134
ALA A 175
THR A 173
LEU A 205
 SRM  B 503 (-4.0A)
SRM  B 503 (-3.3A)
None
None
None
 1.12A 3dh0B-2xsjA:
undetectable		 3dh0B-2xsjA:
18.45
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.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		5 LEU A 142
GLY A 146
GLY A 144
ALA A 150
THR A 149
 None
 1.02A 3dh0B-3bfgA:
undetectable		 3dh0B-3bfgA:
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.
3cj8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Enterococcus
faecalis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		5 GLY A 192
VAL A 195
ALA A 147
THR A 149
LEU A 151
 ACT  A 316 (-3.4A)
None
None
None
None
 1.11A 3dh0B-3cj8A:
undetectable		 3dh0B-3cj8A:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dh0 SAM DEPENDENT
METHYLTRANSFERASE

(Aquifex
aeolicus) 		PF13847
(Methyltransf_31) 		12 PHE A   7
LEU A  15
ARG A  20
GLY A  45
GLY A  47
PHE A  50
VAL A  70
GLN A  71
MET A  74
ALA A 113
THR A 115
LEU A 119
 None
SAM  A 220 (-4.0A)
SAM  A 220 (-2.9A)
SAM  A 220 (-3.5A)
SAM  A 220 ( 3.7A)
None
SAM  A 220 ( 4.1A)
SAM  A 220 (-4.1A)
SAM  A 220 (-4.2A)
SAM  A 220 (-3.9A)
SAM  A 220 (-4.1A)
SAM  A 220 (-4.6A)
 0.30A 3dh0B-3dh0A:
36.6		 3dh0B-3dh0A:
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.
3dqp OXIDOREDUCTASE YLBE

(Lactococcus
lactis) 		PF13460
(NAD_binding_10) 		5 LEU A  17
GLY A   7
GLY A  13
ALA A  31
LEU A  89
 None
 1.09A 3dh0B-3dqpA:
5.4		 3dh0B-3dqpA:
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.
3ek5 URIDYLATE KINASE

(Xanthomonas
campestris) 		PF00696
(AA_kinase) 		5 LEU A  18
GLY A  53
GLY A  15
ALA A  80
THR A  81
 None
 1.11A 3dh0B-3ek5A:
3.8		 3dh0B-3ek5A:
24.90
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.
3f6w XRE-FAMILY LIKE
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF13560
(HTH_31) 		5 PHE A  59
LEU A  30
GLY A  64
GLY A  62
ALA A  23
 None
 1.02A 3dh0B-3f6wA:
undetectable		 3dh0B-3f6wA:
15.92
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.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 158
GLY A 160
ALA A 200
THR A 181
LEU A 155
 None
 1.09A 3dh0B-3gazA:
8.4		 3dh0B-3gazA:
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.
3hd4 NUCLEOPROTEIN

(Murine
coronavirus) 		PF00937
(Corona_nucleoca) 		5 GLY A  88
GLY A  86
ALA A 180
THR A 183
LEU A 185
 None
 1.03A 3dh0B-3hd4A:
undetectable		 3dh0B-3hd4A:
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.
3ief TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Bartonella
henselae) 		PF01746
(tRNA_m1G_MT) 		5 PHE A  15
LEU A 144
GLY A  20
GLY A  17
ALA A  24
 None
 1.10A 3dh0B-3iefA:
undetectable		 3dh0B-3iefA:
20.41
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 244
LEU A 191
GLY A 184
GLY A 187
ALA A 201
 None
 1.10A 3dh0B-3jv7A:
7.2		 3dh0B-3jv7A:
19.06
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.
3la8 PUTATIVE PURINE
NUCLEOSIDE
PHOSPHORYLASE

(Streptococcus
mutans) 		PF01048
(PNP_UDP_1) 		5 LEU A 266
GLY A  25
GLN A 106
ALA A  77
LEU A 103
 None
 1.00A 3dh0B-3la8A:
undetectable		 3dh0B-3la8A:
22.83
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.
3pa8 TOXIN B

(Clostridioides
difficile) 		PF11713
(Peptidase_C80) 		5 GLY A 154
GLY A 111
PHE A 115
GLN A  42
ALA A 196
 621  A 300 ( 3.7A)
621  A 300 (-4.2A)
None
None
None
 1.12A 3dh0B-3pa8A:
3.4		 3dh0B-3pa8A:
21.84
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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		5 GLY A 115
GLY A  82
VAL A 121
ALA A 111
LEU A  29
 None
 1.00A 3dh0B-3pkoA:
undetectable		 3dh0B-3pkoA:
20.41
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.
3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Mycobacterium
tuberculosis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 106
VAL A  99
MET A 103
ALA A 110
LEU A  56
 ADP  A 307 (-3.2A)
ADP  A 307 (-3.9A)
None
None
None
 0.96A 3dh0B-3pygA:
undetectable		 3dh0B-3pygA:
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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A 127
GLY A 325
GLY A 322
PHE A 128
LEU A 332
 None
 1.02A 3dh0B-3q2iA:
5.0		 3dh0B-3q2iA:
21.11
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.
3q2k OXIDOREDUCTASE

(Bordetella
pertussis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A 126
GLY A 325
GLY A 322
PHE A 127
LEU A 332
 None
 1.05A 3dh0B-3q2kA:
5.2		 3dh0B-3q2kA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 LEU A 369
GLY A 368
ALA A 433
THR A 436
LEU A 384
 None
 1.02A 3dh0B-3sqgA:
undetectable		 3dh0B-3sqgA:
17.81
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.
3t57 UDP-N-ACETYLGLUCOSAM
INE
O-ACYLTRANSFERASE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 GLY A 228
VAL A 232
ALA A 191
THR A 194
LEU A 196
 None
 0.97A 3dh0B-3t57A:
undetectable		 3dh0B-3t57A:
21.36
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.
3vr5 V-TYPE SODIUM ATPASE
SUBUNIT B

(Enterococcus
hirae) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 LEU D  79
GLY D  92
GLY D  94
ALA D 223
THR D 224
 None
 0.82A 3dh0B-3vr5D:
2.9		 3dh0B-3vr5D:
18.76
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.
3we9 PUTATIVE
PHYTOENE/SQUALENE
SYNTHASE YISP

(Bacillus
subtilis) 		PF00494
(SQS_PSY) 		5 GLY A 156
GLY A 129
VAL A 162
ALA A 152
LEU A 238
 PGE  A 900 ( 3.8A)
PGE  A 900 ( 3.8A)
None
None
None
 1.11A 3dh0B-3we9A:
undetectable		 3dh0B-3we9A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 LEU A 589
GLY A 717
VAL A 541
ALA A 584
THR A 582
 None
 1.14A 3dh0B-3wfaA:
undetectable		 3dh0B-3wfaA:
15.29
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.
3wh9 ENDO-BETA-1,4-MANNAN
ASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		5 LEU A 242
GLY A 256
GLY A 254
ALA A 260
THR A 259
 None
 1.11A 3dh0B-3wh9A:
undetectable		 3dh0B-3wh9A:
20.12
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.
4a5o BIFUNCTIONAL PROTEIN
FOLD

(Pseudomonas
aeruginosa) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		6 ARG A  32
GLY A  94
VAL A  38
ALA A 278
THR A 275
LEU A 271
 None
 1.34A 3dh0B-4a5oA:
undetectable		 3dh0B-4a5oA:
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 PHE A  21
GLY A  52
GLY A  94
VAL A  37
THR A  42
 None
 1.14A 3dh0B-4cakA:
undetectable		 3dh0B-4cakA:
12.08
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.
4dvj PUTATIVE
ZINC-DEPENDENT
ALCOHOL
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 GLY A 179
GLY A 185
ALA A 204
THR A 203
LEU A 228
 None
 0.88A 3dh0B-4dvjA:
8.8		 3dh0B-4dvjA:
18.83
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.
4fwb HALOALKANE
DEHALOGENASE

(Rhodococcus
rhodochrous) 		PF00561
(Abhydrolase_1) 		5 PHE A  81
LEU A 111
GLY A  40
GLY A 108
LEU A 202
 None
 1.08A 3dh0B-4fwbA:
undetectable		 3dh0B-4fwbA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gvo LMO2349 PROTEIN

(Listeria
monocytogenes) 		PF00497
(SBP_bac_3) 		5 PHE A  45
GLY A  42
VAL A  62
THR A  43
LEU A  51
 HIS  A 703 ( 4.0A)
None
None
None
None
 1.12A 3dh0B-4gvoA:
undetectable		 3dh0B-4gvoA:
23.77
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 LEU M  96
GLY M  97
VAL M  10
ALA M 227
LEU M 106
 None
 1.05A 3dh0B-4heaM:
undetectable		 3dh0B-4heaM:
19.78
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.
4hgz CCBJ

(Streptomyces
caelestis) 		PF13649
(Methyltransf_25) 		6 ARG A  55
GLY A  50
GLY A  52
MET A  76
ALA A 116
THR A 119
 None
 1.14A 3dh0B-4hgzA:
15.9		 3dh0B-4hgzA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hgz CCBJ

(Streptomyces
caelestis) 		PF13649
(Methyltransf_25) 		5 ARG A  55
GLY A  50
GLY A  52
MET A  76
LEU A 123
 None
 1.13A 3dh0B-4hgzA:
15.9		 3dh0B-4hgzA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 LEU A 143
GLY A  56
GLY A 102
PHE A 144
THR A 186
 None
 1.11A 3dh0B-4iheA:
undetectable		 3dh0B-4iheA:
16.27
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.
4isy CYSTEINE DESULFURASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		5 GLY A 352
GLY A 309
VAL A 378
ALA A 350
THR A 303
 None
 1.13A 3dh0B-4isyA:
undetectable		 3dh0B-4isyA:
17.57
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.
4k73 L,D-TRANSPEPTIDASE

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		6 PHE A 121
GLY A 124
GLY A  50
PHE A 103
GLN A  47
ALA A 106
 None
 1.45A 3dh0B-4k73A:
undetectable		 3dh0B-4k73A:
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.
4l4y TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 GLY A 103
GLY A 100
ALA A 127
THR A 131
LEU A 135
 None
 1.10A 3dh0B-4l4yA:
4.7		 3dh0B-4l4yA:
20.86
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.
4l5i TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 GLY A 103
GLY A 100
ALA A 127
THR A 131
LEU A 135
 None
 1.12A 3dh0B-4l5iA:
4.3		 3dh0B-4l5iA:
18.40
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.
4lk5 ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 LEU A 142
GLY A 122
GLY A 120
ALA A 126
LEU A  99
 None
 0.99A 3dh0B-4lk5A:
undetectable		 3dh0B-4lk5A:
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.
4nes UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Methanocaldococcus
jannaschii) 		PF02350
(Epimerase_2) 		5 LEU A  51
GLY A 270
PHE A  48
VAL A 188
LEU A 277
 None
UDP  A 401 ( 4.7A)
None
None
None
 1.13A 3dh0B-4nesA:
3.0		 3dh0B-4nesA:
23.17
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 PHE A 957
LEU A 917
GLY A 966
GLY A 959
PHE A 915
 None
 1.06A 3dh0B-4nmeA:
4.6		 3dh0B-4nmeA:
12.94
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.
4ol8 REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Saccharomyces
cerevisiae) 		PF00078
(RVT_1) 		5 PHE A 421
LEU A 416
VAL A 371
ALA A 366
THR A 356
 None
 1.06A 3dh0B-4ol8A:
undetectable		 3dh0B-4ol8A:
16.95
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.
4pdb 30S RIBOSOMAL
PROTEIN S8

(Bacillus
anthracis) 		PF00410
(Ribosomal_S8) 		5 ARG A 142
GLY A 125
GLY A 123
ALA A 127
LEU A  63
 None
 0.97A 3dh0B-4pdbA:
undetectable		 3dh0B-4pdbA:
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 PHE A 954
LEU A 914
GLY A 963
GLY A 956
ALA A 757
 SO4  A2002 ( 4.3A)
None
None
None
None
 0.96A 3dh0B-4q73A:
5.3		 3dh0B-4q73A:
12.46
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.
4r0c ABGT PUTATIVE
TRANSPORTER FAMILY

(Alcanivorax
borkumensis) 		PF03806
(ABG_transport) 		5 LEU A 102
GLY A 304
VAL A 309
ALA A 300
LEU A 263
 LMT  A 802 ( 4.1A)
LMT  A 806 ( 4.5A)
None
None
None
 0.94A 3dh0B-4r0cA:
undetectable		 3dh0B-4r0cA:
15.35
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.
4tnm IMPORTIN SUBUNIT
ALPHA

(Arabidopsis
thaliana) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		5 GLY A 186
GLY A 190
VAL A 199
THR A 227
LEU A 208
 None
 1.11A 3dh0B-4tnmA:
undetectable		 3dh0B-4tnmA:
17.76
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.
4unr THYMIDYLATE KINASE

(Mycobacterium
tuberculosis) 		PF02223
(Thymidylate_kin) 		5 LEU A 138
GLY A   7
ALA A 102
THR A 175
LEU A 171
 None
 1.00A 3dh0B-4unrA:
undetectable		 3dh0B-4unrA:
20.68
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.
4y5f BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 PHE A 198
VAL A 159
GLN A 162
ALA A 288
LEU A 308
 LBV  A 401 ( 3.9A)
None
None
LBV  A 401 ( 4.2A)
None
 1.13A 3dh0B-4y5fA:
undetectable		 3dh0B-4y5fA:
19.06
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.
4zk3 SERPIN B3

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 174
GLY A 327
GLY A 351
ALA A 348
LEU A 299
 None
 1.08A 3dh0B-4zk3A:
undetectable		 3dh0B-4zk3A:
20.92
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.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 LEU A  22
GLY A  12
GLY A  18
THR A  38
LEU A  88
 None
NAD  A 501 (-3.3A)
None
None
None
 1.11A 3dh0B-4zqgA:
3.0		 3dh0B-4zqgA:
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.
4zu2 PUTATIVE
ISOHEXENYLGLUTACONYL
-COA HYDRATASE

(Pseudomonas
aeruginosa) 		PF00378
(ECH_1) 		5 LEU A 137
GLY A 117
GLY A 115
ALA A 121
LEU A  94
 None
None
IOD  A 302 ( 4.6A)
None
None
 0.95A 3dh0B-4zu2A:
undetectable		 3dh0B-4zu2A:
22.54
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 LEU A1609
GLY A1256
GLN A1262
ALA A1252
LEU A1273
 None
 1.12A 3dh0B-5a31A:
undetectable		 3dh0B-5a31A:
11.58
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.
5an9 60S RIBOSOMAL
PROTEIN L3

(Dictyostelium
discoideum) 		PF00297
(Ribosomal_L3) 		5 PHE A 373
ARG A 340
GLY A 318
THR A 369
LEU A 377
 C  N3422 ( 4.6A)
A  N3385 ( 3.5A)
None
None
None
 1.12A 3dh0B-5an9A:
undetectable		 3dh0B-5an9A:
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.
5iaa UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5

(Homo sapiens) 		PF00899
(ThiF) 		5 LEU A 116
GLY A  85
GLY A  83
ALA A  89
THR A  88
 None
 1.02A 3dh0B-5iaaA:
5.3		 3dh0B-5iaaA:
23.59
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.
5j5d 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00701
(DHDPS) 		5 PHE A 210
LEU A 226
GLY A  13
ALA A   9
LEU A 141
 None
 1.01A 3dh0B-5j5dA:
undetectable		 3dh0B-5j5dA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		5 ARG A  24
GLY A  49
PHE A  52
MET A  74
ALA A 111
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.6A)
None
SAH  A 301 ( 4.5A)
SAH  A 301 (-3.8A)
 0.74A 3dh0B-5je3A:
16.0		 3dh0B-5je3A:
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.
5kja APOCAROTENOID-15,15'
-OXYGENASE

(Synechocystis
sp. PCC 6803) 		PF03055
(RPE65) 		5 PHE A  69
LEU A 483
GLY A  73
GLY A  54
ALA A 134
 None
 1.14A 3dh0B-5kjaA:
undetectable		 3dh0B-5kjaA:
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		5 LEU A  39
GLY A 605
GLY A  38
ALA A 607
THR A 602
 None
 1.14A 3dh0B-5mq6A:
undetectable		 3dh0B-5mq6A:
15.85
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.
5nbo GLYCOSYL HYDROLASE
FAMILY 16

(Bacteroides
ovatus) 		no annotation 5 GLY A 150
GLY A 154
VAL A 164
THR A 120
LEU A 117
 None
 1.06A 3dh0B-5nboA:
undetectable		 3dh0B-5nboA:
18.64
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.
5nyw PROTEASOME SUBUNIT

(Yersinia
bercovieri) 		no annotation 5 GLY A  88
GLY A 134
VAL A  94
ALA A  84
LEU A  62
 None
 0.99A 3dh0B-5nywA:
undetectable		 3dh0B-5nywA:
24.28
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.
5tpw GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 GLY B 297
GLY B 295
PHE B 145
ALA B 302
THR B 300
 None
 1.13A 3dh0B-5tpwB:
undetectable		 3dh0B-5tpwB:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tul TETRACYCLINE
DESTRUCTASE TET(55)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		5 LEU A 312
GLY A 288
GLY A 308
VAL A 337
ALA A 155
 None
PO4  A 401 (-3.3A)
None
None
PO4  A 401 (-4.5A)
 1.06A 3dh0B-5tulA:
undetectable		 3dh0B-5tulA:
19.66
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.
5wqn PROBABLE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00106
(adh_short) 		5 LEU A  17
GLY A   8
GLY A  14
ALA A  30
LEU A 116
 None
 1.08A 3dh0B-5wqnA:
7.6		 3dh0B-5wqnA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 PHE A  69
LEU A 338
GLY A 343
GLY A 339
ALA A 346
 None
None
OLC  A 806 (-3.9A)
None
None
 1.14A 3dh0B-5xapA:
undetectable		 3dh0B-5xapA:
15.07
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.
5zvs PUTATIVE CORE
PROTEIN NTPASE/VP5

(Aquareovirus C) 		no annotation 5 LEU 4 588
VAL 4 536
GLN 4 535
ALA 4 435
LEU 4 511
 None
 1.00A 3dh0B-5zvs4:
undetectable		 3dh0B-5zvs4:
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.
6chk TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Lactobacillus
paracasei) 		no annotation 5 LEU A 289
GLY A 275
VAL A 182
ALA A 272
LEU A 233
 None
 1.12A 3dh0B-6chkA:
undetectable		 3dh0B-6chkA:
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.
6gdt -

(-) 		no annotation 6 PHE A 247
LEU A 286
GLY A 250
GLY A 246
ALA A 254
LEU A 366
 None
 1.29A 3dh0B-6gdtA:
undetectable		 3dh0B-6gdtA:
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 LYS A 527
ASP A 353
GLU A 548
GLU A 552
 None
 1.39A 3dh0B-1c30A:
3.5		 3dh0B-1c30A:
12.63
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.
1g4u PROTEIN TYROSINE
PHOSPHATASE SPTP

(Salmonella
enterica) 		PF00102
(Y_phosphatase)
PF03545
(YopE) 		4 LYS S 362
ASP S 327
GLU S 398
GLU S 366
 None
 1.43A 3dh0B-1g4uS:
0.3		 3dh0B-1g4uS:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 LYS A 324
TYR A  26
GLU A 251
GLU A 314
 None
 1.15A 3dh0B-1lrwA:
0.0		 3dh0B-1lrwA:
17.91
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.
2dpp NITRILE HYDRATASE
ALPHA SUBUNIT
NITRILE HYDRATASE
BETA SUBUNIT

(Bacillus sp.
RAPc8;
Bacillus sp.
RAPc8) 		PF02979
(NHase_alpha)
PF02211
(NHase_beta) 		4 TYR B  26
ASP B  30
GLU A  33
GLU A  48
 None
 1.32A 3dh0B-2dppB:
0.0		 3dh0B-2dppB:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		4 LYS A  19
ASP A  86
GLU A  53
GLU A  18
 None
 1.24A 3dh0B-2eb5A:
0.0		 3dh0B-2eb5A:
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.
2rfg DIHYDRODIPICOLINATE
SYNTHASE

(Hahella
chejuensis) 		PF00701
(DHDPS) 		4 TYR A 132
ASP A 141
GLU A 145
GLU A 172
 None
 1.49A 3dh0B-2rfgA:
0.9		 3dh0B-2rfgA:
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.
2vdf OUTER MEMBRANE
PROTEIN

(Neisseria
meningitidis) 		PF07239
(OpcA) 		4 TYR A  96
ASP A 144
GLU A 208
GLU A   9
 None
 1.35A 3dh0B-2vdfA:
0.0		 3dh0B-2vdfA:
23.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dh0 SAM DEPENDENT
METHYLTRANSFERASE

(Aquifex
aeolicus) 		PF13847
(Methyltransf_31) 		5 LYS A   6
TYR A  51
ASP A  69
GLU A  97
GLU A 118
 SAM  A 220 (-2.9A)
SAM  A 220 (-3.8A)
SAM  A 220 (-3.0A)
SAM  A 220 (-3.2A)
SAM  A 220 (-3.3A)
 0.42A 3dh0B-3dh0A:
36.6		 3dh0B-3dh0A:
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.
3fsn RETINAL PIGMENT
EPITHELIUM-SPECIFIC
65 KDA PROTEIN

(Bos taurus) 		PF03055
(RPE65) 		4 LYS A 455
TYR A 426
ASP A 327
GLU A 406
 None
 1.45A 3dh0B-3fsnA:
undetectable		 3dh0B-3fsnA:
16.89
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.
3g6i PUTATIVE OUTER
MEMBRANE PROTEIN,
PART OF CARBOHYDRATE
BINDING COMPLEX

(Bacteroides
thetaiotaomicron) 		PF12875
(DUF3826) 		4 TYR A  32
ASP A  77
GLU A 101
GLU A 177
 None
 1.48A 3dh0B-3g6iA:
undetectable		 3dh0B-3g6iA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 TYR A 478
ASP A 585
GLU A 518
GLU A 509
 None
 1.30A 3dh0B-4c3hA:
undetectable		 3dh0B-4c3hA:
8.72
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.
4ggp TRANS-2-ENOYL-COA
REDUCTASE

(Treponema
denticola) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		4 TYR A 230
ASP A 338
GLU A 317
GLU A 305
 None
 1.47A 3dh0B-4ggpA:
5.1		 3dh0B-4ggpA:
19.02
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.
4khb UNCHARACTERIZED
PROTEIN POB3N

(Chaetomium
thermophilum) 		no annotation 4 LYS D  61
ASP D  13
GLU D 116
GLU D  59
 None
 1.42A 3dh0B-4khbD:
undetectable		 3dh0B-4khbD:
21.85
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.
4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Anaerococcus
prevotii) 		PF03480
(DctP) 		4 TYR A  64
ASP A 263
GLU A 136
GLU A 252
 None
 1.50A 3dh0B-4n91A:
undetectable		 3dh0B-4n91A:
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		4 LYS A 553
TYR A 862
GLU A 590
GLU A 935
 None
 1.43A 3dh0B-5cjuA:
undetectable		 3dh0B-5cjuA:
11.82
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 TYR A  23
ASP A  67
GLU A  70
GLU A 234
 None
 1.43A 3dh0B-5enyA:
undetectable		 3dh0B-5enyA:
14.69