SIMILAR PATTERNS OF AMINO ACIDS FOR 3DH0_A_SAMA220_0

List of similar pattern of amino acids derived from ASSAM search

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

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

(Escherichia
coli) 		PF03590
(AsnA) 		5 VAL A 199
GLY A 200
GLY A 202
ALA A 230
LEU A 133
 None
 1.02A 3dh0A-12asA:
undetectable		 3dh0A-12asA:
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.
1b0a PROTEIN (FOLD
BIFUNCTIONAL
PROTEIN)

(Escherichia
coli) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 GLY A  94
VAL A  38
ALA A 278
THR A 275
LEU A 271
 None
 1.24A 3dh0A-1b0aA:
4.5		 3dh0A-1b0aA:
21.14
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.
1f9k ACIDIC LECTIN

(Psophocarpus
tetragonolobus) 		PF00139
(Lectin_legB) 		5 GLY A  89
ALA A  87
PHE A 127
THR A 126
LEU A 155
 None
AMG  A 400 ( 3.7A)
AMG  A 400 ( 3.6A)
None
None
 0.59A 3dh0A-1f9kA:
undetectable		 3dh0A-1f9kA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fno PEPTIDASE T

(Salmonella
enterica) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A  52
VAL A  25
ALA A 168
PHE A 169
THR A 170
 None
 1.28A 3dh0A-1fnoA:
undetectable		 3dh0A-1fnoA:
23.26
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.
1gzc ERYTHRINA
CRISTA-GALLI LECTIN

(Erythrina
crista-galli) 		PF00139
(Lectin_legB) 		5 GLY A  90
ALA A  88
PHE A 131
THR A 130
LEU A 160
 None
LAT  A1559 ( 3.8A)
LAT  A1559 ( 3.7A)
None
None
 0.72A 3dh0A-1gzcA:
undetectable		 3dh0A-1gzcA:
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.
1miv TRNA CCA-ADDING
ENZYME

(Geobacillus
stearothermophilus) 		PF01743
(PolyA_pol)
PF12627
(PolyA_pol_RNAbd)
PF13735
(tRNA_NucTran2_2) 		5 VAL A  25
GLY A  26
PHE A 113
VAL A  41
ALA A 117
 None
 1.33A 3dh0A-1mivA:
undetectable		 3dh0A-1mivA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		5 GLY A 431
GLY A  83
PHE A 501
THR A 497
LEU A 473
 None
 1.21A 3dh0A-1obhA:
undetectable		 3dh0A-1obhA:
14.20
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		5 LEU A 149
VAL A 162
GLY A 161
GLY A 159
THR A  92
 None
 1.25A 3dh0A-1qleA:
undetectable		 3dh0A-1qleA:
17.33
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.
1sbd SOYBEAN AGGLUTININ

(Glycine max) 		PF00139
(Lectin_legB) 		5 GLY A  89
ALA A  87
PHE A 128
THR A 127
LEU A 156
 None
GAL  A 847 ( 4.4A)
GAL  A 847 (-4.0A)
None
None
 0.98A 3dh0A-1sbdA:
undetectable		 3dh0A-1sbdA:
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.
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
 1.03A 3dh0A-1ve5A:
2.4		 3dh0A-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.
1vff BETA-GLUCOSIDASE

(Pyrococcus
horikoshii) 		PF00232
(Glyco_hydro_1) 		5 LEU A 310
VAL A 206
GLY A 263
THR A 323
LEU A 106
 None
 0.88A 3dh0A-1vffA:
undetectable		 3dh0A-1vffA:
20.97
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.
1y8p [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 3

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		5 VAL A 292
GLY A 291
GLY A 349
THR A 352
LEU A 344
 ATP  A 504 (-4.9A)
ATP  A 504 ( 4.7A)
None
ATP  A 504 (-4.1A)
None
 1.31A 3dh0A-1y8pA:
undetectable		 3dh0A-1y8pA:
18.96
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.
1yj8 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 LEU A 239
GLY A 234
GLY A 238
ALA A 232
LEU A 320
 None
 1.14A 3dh0A-1yj8A:
6.7		 3dh0A-1yj8A:
21.76
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.
2b8e CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 VAL A 616
GLY A 617
GLY A 619
THR A 428
LEU A 655
 None
 0.91A 3dh0A-2b8eA:
3.5		 3dh0A-2b8eA:
23.08
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.
2e7t BASIC AGGLUTININ

(Psophocarpus
tetragonolobus) 		PF00139
(Lectin_legB) 		5 GLY A  88
ALA A  86
PHE A 126
THR A 125
LEU A 154
 None
A2G  A 400 ( 4.3A)
A2G  A 400 ( 3.8A)
None
None
 0.67A 3dh0A-2e7tA:
undetectable		 3dh0A-2e7tA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 VAL A 160
GLY A 163
GLY A  55
SER A  82
THR A 158
 None
FAD  A1625 (-3.1A)
FAD  A1625 (-3.3A)
None
None
 1.38A 3dh0A-2f5vA:
undetectable		 3dh0A-2f5vA:
16.30
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.
2gs9 HYPOTHETICAL PROTEIN
TT1324

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 VAL A  44
GLY A  45
GLY A  47
PHE A 103
THR A 105
 None
SAH  A 301 (-3.7A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.5A)
SAH  A 301 (-3.5A)
 0.81A 3dh0A-2gs9A:
17.5		 3dh0A-2gs9A:
23.71
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.
2hrz NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 PHE A  85
LEU A  24
GLY A  15
GLY A  21
LEU A  67
 None
 1.40A 3dh0A-2hrzA:
3.9		 3dh0A-2hrzA:
20.90
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		5 VAL A  72
GLY A 131
VAL A 381
ALA A 408
LEU A 441
 None
 1.14A 3dh0A-2oodA:
undetectable		 3dh0A-2oodA:
19.01
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.
2otb GFP-LIKE FLUORESCENT
CHROMOPROTEIN CFP484

(Clavularia sp.) 		PF01353
(GFP) 		5 PHE A  65
LEU A  46
GLY A  33
GLY A  31
SER A 117
 None
 1.38A 3dh0A-2otbA:
undetectable		 3dh0A-2otbA:
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.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 VAL A 214
GLY A 213
GLY A 142
VAL A 137
ALA A 102
 None
 1.30A 3dh0A-2pi5A:
undetectable		 3dh0A-2pi5A:
13.01
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		5 LEU A 574
GLY A 608
PHE A 591
VAL A 424
LEU A 626
 None
 1.30A 3dh0A-2pziA:
undetectable		 3dh0A-2pziA:
15.24
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.
2qhs LIPOYLTRANSFERASE

(Thermus
thermophilus) 		PF03099
(BPL_LplA_LipB) 		5 GLY A 152
GLY A 141
SER A 149
ALA A 154
LEU A  36
 OCA  A3913 (-4.3A)
OCA  A3913 (-3.9A)
None
OCA  A3913 ( 4.1A)
None
 1.40A 3dh0A-2qhsA:
undetectable		 3dh0A-2qhsA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qy0 COMPLEMENT C1R
SUBCOMPONENT

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU B 590
VAL B 581
GLY B 580
GLY B 578
PHE B 592
 None
 1.23A 3dh0A-2qy0B:
undetectable		 3dh0A-2qy0B:
21.12
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.
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
 1.09A 3dh0A-2v9yA:
undetectable		 3dh0A-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.
2voy CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 VAL I 616
GLY I 617
GLY I 619
THR I 428
LEU I 655
 None
 0.91A 3dh0A-2voyI:
3.4		 3dh0A-2voyI:
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.
2x75 ADENYLOSUCCINATE
LYASE

(Staphylococcus
aureus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 GLY A 178
GLY A 205
SER A 210
PHE A 104
THR A 100
 None
 1.26A 3dh0A-2x75A:
undetectable		 3dh0A-2x75A:
18.47
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.
2yev CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00034
(Cytochrom_C)
PF00116
(COX2)
PF02790
(COX2_TM) 		5 PHE B 337
GLY B  28
VAL B 166
ALA B 147
LEU B 143
 None
 1.19A 3dh0A-2yevB:
undetectable		 3dh0A-2yevB:
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 GLY A 145
GLY A 279
PHE A 141
PHE A 291
LEU A 177
 PLP  A1446 (-3.2A)
None
None
None
None
 1.18A 3dh0A-2ykyA:
undetectable		 3dh0A-2ykyA:
16.99
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.
2zkj [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 4

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		5 VAL A 298
GLY A 297
GLY A 355
THR A 358
LEU A 350
 ADP  A 501 (-4.7A)
ADP  A 501 ( 4.6A)
None
ADP  A 501 (-3.8A)
None
 1.34A 3dh0A-2zkjA:
undetectable		 3dh0A-2zkjA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 VAL A 167
GLY A 166
SER A 161
ALA A 199
THR A 210
 None
 1.23A 3dh0A-3cj1A:
undetectable		 3dh0A-3cj1A:
18.18
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
VAL A  44
GLY A  45
GLY A  47
PHE A  50
VAL A  70
SER A  95
ALA A 113
PHE A 114
THR A 115
LEU A 119
 None
SAM  A 220 (-4.0A)
SAM  A 220 ( 4.8A)
SAM  A 220 (-3.5A)
SAM  A 220 ( 3.7A)
None
SAM  A 220 ( 4.1A)
SAM  A 220 ( 3.7A)
SAM  A 220 (-3.9A)
None
SAM  A 220 (-4.1A)
SAM  A 220 (-4.6A)
 0.03A 3dh0A-3dh0A:
39.9		 3dh0A-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
 1.02A 3dh0A-3dqpA:
5.5		 3dh0A-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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 311
GLY A 307
GLY A 309
THR A 331
LEU A 349
 None
FAB  A 701 (-3.2A)
FAB  A 701 (-3.4A)
FAB  A 701 (-2.9A)
None
 1.41A 3dh0A-3e9yA:
2.7		 3dh0A-3e9yA:
17.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evz METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF05175
(MTS) 		5 GLY A  88
GLY A  90
VAL A 112
SER A 136
ALA A 155
 None
 0.88A 3dh0A-3evzA:
15.9		 3dh0A-3evzA:
30.16
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.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 277
GLY A 280
PHE A 256
SER A 154
ALA A 273
 None
 1.20A 3dh0A-3gg9A:
5.4		 3dh0A-3gg9A:
24.16
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.
3klq PUTATIVE PILUS
ANCHORING PROTEIN

(Streptococcus
pyogenes) 		PF12892
(FctA) 		5 PHE A  24
LEU A  15
GLY A  46
VAL A  11
SER A  10
 None
 1.20A 3dh0A-3klqA:
undetectable		 3dh0A-3klqA:
17.59
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.
3m1y PHOSPHOSERINE
PHOSPHATASE (SERB)

(Helicobacter
pylori) 		PF00702
(Hydrolase) 		5 VAL A 162
GLY A 163
GLY A 165
THR A  12
LEU A 200
 None
 1.02A 3dh0A-3m1yA:
2.5		 3dh0A-3m1yA:
22.95
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.
3m9i LENS FIBER MAJOR
INTRINSIC PROTEIN

(Ovis aries) 		PF00230
(MIP) 		5 PHE A 136
VAL A 206
GLY A 207
GLY A 211
THR A 131
 None
 1.37A 3dh0A-3m9iA:
undetectable		 3dh0A-3m9iA:
21.76
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.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 PHE A 296
LEU A 310
GLY A 357
PHE A 355
SER A 429
 None
 1.19A 3dh0A-3ogzA:
2.2		 3dh0A-3ogzA:
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.
3p3l CYTOCHROME P450

(Streptomyces
thioluteus) 		PF00067
(p450) 		5 VAL A 292
PHE A 354
VAL A 321
ALA A 294
LEU A  48
 None
EPE  A 409 (-3.8A)
None
HEM  A 501 ( 3.8A)
None
 1.35A 3dh0A-3p3lA:
undetectable		 3dh0A-3p3lA:
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.
3t57 UDP-N-ACETYLGLUCOSAM
INE
O-ACYLTRANSFERASE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 GLY A 229
VAL A 232
ALA A 191
THR A 194
LEU A 196
 None
 1.17A 3dh0A-3t57A:
undetectable		 3dh0A-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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 VAL A   6
GLY A   7
GLY A   9
VAL A  39
LEU A 138
 None
 0.67A 3dh0A-3u95A:
4.1		 3dh0A-3u95A:
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.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 GLY A 527
GLY A 575
VAL A 564
THR A 337
LEU A 459
 None
 1.17A 3dh0A-3ue3A:
undetectable		 3dh0A-3ue3A:
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		5 LEU A 252
VAL A 248
GLY A 249
GLY A 333
THR A 190
 None
 1.38A 3dh0A-3vilA:
undetectable		 3dh0A-3vilA:
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.
4bgv MALATE DEHYDROGENASE

(Picrophilus
torridus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 PHE A 217
GLY A 218
PHE A 158
VAL A 223
SER A 230
 None
None
None
None
PEG  A1325 (-3.4A)
 1.39A 3dh0A-4bgvA:
7.6		 3dh0A-4bgvA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 LEU A 380
GLY A 324
GLY A 322
VAL A 365
THR A 326
 None
JHZ  A 504 (-3.6A)
None
None
JHZ  A 504 (-4.0A)
 1.22A 3dh0A-4e2zA:
14.5		 3dh0A-4e2zA:
18.60
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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 GLY A 270
GLY A 267
SER A 372
ALA A 244
LEU A 258
 None
None
None
GOL  A 407 ( 4.2A)
None
 0.91A 3dh0A-4evqA:
undetectable		 3dh0A-4evqA:
20.16
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.
4f07 STYRENE
MONOOXYGENASE
COMPONENT 2

(Pseudomonas sp.
Y2) 		PF01613
(Flavin_Reduct) 		5 PHE A  76
LEU A  70
GLY A  41
VAL A  39
LEU A 114
 None
 1.12A 3dh0A-4f07A:
undetectable		 3dh0A-4f07A:
22.51
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.
4g1u HEMIN TRANSPORT
SYSTEM PERMEASE
PROTEIN HMUU

(Yersinia pestis) 		PF01032
(FecCD) 		5 GLY A 282
GLY A 286
PHE A  13
VAL A  71
LEU A 209
 None
 1.22A 3dh0A-4g1uA:
undetectable		 3dh0A-4g1uA:
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.
4ijr D-ARABINOSE
DEHYDROGENASE
[NAD(P)+] HEAVY
CHAIN

(Saccharomyces
cerevisiae) 		PF00248
(Aldo_ket_red) 		5 LEU A  36
GLY A  39
GLY A  37
VAL A  54
LEU A 287
 None
NDP  A 401 (-3.4A)
None
None
NDP  A 401 (-4.3A)
 1.35A 3dh0A-4ijrA:
undetectable		 3dh0A-4ijrA:
20.60
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.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		5 PHE A 267
GLY A 365
GLY A 363
PHE A 359
SER A 312
 NO2  A 501 (-3.4A)
None
None
None
None
 1.21A 3dh0A-4jreA:
undetectable		 3dh0A-4jreA:
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.
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
 1.02A 3dh0A-4lk5A:
undetectable		 3dh0A-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.
4lt5 NAEGLERIA TET-LIKE
DIOXYGENASE

(Naegleria
gruberi) 		no annotation 5 LEU A 292
GLY A 291
PHE A 241
PHE A 124
THR A 125
 None
 0.98A 3dh0A-4lt5A:
undetectable		 3dh0A-4lt5A:
21.35
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.
4olq ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Hyphomonas
neptunium) 		PF00378
(ECH_1) 		5 LEU A  27
VAL A 133
GLY A 111
GLY A  64
LEU A 150
 None
 1.32A 3dh0A-4olqA:
undetectable		 3dh0A-4olqA:
23.47
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.
4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 PHE A 876
VAL A 866
GLY A 867
GLY A 873
ALA A 896
 None
 1.24A 3dh0A-4pj6A:
undetectable		 3dh0A-4pj6A:
15.48
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.
4q05 ESTERASE E25

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 212
VAL A 114
GLY A 184
PHE A 275
ALA A 181
 None
 1.15A 3dh0A-4q05A:
3.2		 3dh0A-4q05A:
18.28
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.
4q76 CYSTEINE DESULFURASE
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00266
(Aminotran_5) 		5 PHE A 356
LEU A 331
VAL A 191
SER A 189
LEU A 392
 None
 1.00A 3dh0A-4q76A:
2.4		 3dh0A-4q76A:
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.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 VAL A 177
GLY A 178
GLY A 180
ALA A 244
LEU A 258
 None
 1.09A 3dh0A-4qvgA:
17.6		 3dh0A-4qvgA:
21.69
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.
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
 0.92A 3dh0A-4r0cA:
undetectable		 3dh0A-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.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		5 VAL A  13
GLY A  14
GLY A  16
VAL A  42
LEU A 227
 FAD  A 502 (-4.5A)
FAD  A 502 (-3.6A)
FAD  A 502 (-4.2A)
FAD  A 502 (-4.9A)
FAD  A 502 (-4.2A)
 0.89A 3dh0A-4rslA:
2.7		 3dh0A-4rslA:
20.48
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.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		5 VAL A  13
GLY A  14
GLY A  17
VAL A  42
LEU A 227
 FAD  A 502 (-4.5A)
FAD  A 502 (-3.6A)
FAD  A 502 (-3.1A)
FAD  A 502 (-4.9A)
FAD  A 502 (-4.2A)
 1.09A 3dh0A-4rslA:
2.7		 3dh0A-4rslA:
20.48
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 PHE A 278
VAL A 312
GLY A 313
GLY A 341
ALA A 338
 None
 1.31A 3dh0A-4um8A:
undetectable		 3dh0A-4um8A:
14.80
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.
4urp FATTY ACID
REPRESSION MUTANT
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00881
(Nitroreductase) 		5 LEU A  20
VAL A  59
GLY A  92
VAL A  94
LEU A  30
 None
 1.15A 3dh0A-4urpA:
undetectable		 3dh0A-4urpA:
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.
4y96 TRIOSEPHOSPHATE
ISOMERASE

(Gemmata
obscuriglobus) 		PF00121
(TIM) 		5 GLY A  28
VAL A  63
SER A  61
ALA A  26
LEU A 248
 None
 1.28A 3dh0A-4y96A:
undetectable		 3dh0A-4y96A:
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.
4z8z UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 5 LEU A 129
VAL A 184
GLY A 185
GLY A 189
LEU A 113
 None
 1.18A 3dh0A-4z8zA:
undetectable		 3dh0A-4z8zA:
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.
4zrs ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 PHE A  71
VAL A 103
GLY A 104
GLY A  94
LEU A 131
 None
 0.97A 3dh0A-4zrsA:
undetectable		 3dh0A-4zrsA:
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.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		5 GLY A 570
GLY A 615
VAL A 599
THR A 401
LEU A 512
 NHE  A 901 (-3.6A)
NHE  A 901 ( 4.7A)
None
None
None
 1.21A 3dh0A-4ztkA:
undetectable		 3dh0A-4ztkA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b58 PUTATIVE HEMIN ABC
TRANSPORT SYSTEM,
MEMBRANE PROTEIN

(Burkholderia
cenocepacia) 		PF01032
(FecCD) 		5 VAL A  91
GLY A  92
GLY A  96
THR A 319
LEU A 337
 None
 0.94A 3dh0A-5b58A:
undetectable		 3dh0A-5b58A:
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.
5c65 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 3

(Homo sapiens) 		PF00083
(Sugar_tr) 		5 LEU A 133
VAL A  72
GLY A  73
GLY A  77
PHE A 130
 None
 1.36A 3dh0A-5c65A:
undetectable		 3dh0A-5c65A:
17.61
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.
5cg9 TET-LIKE DIOXYGENASE

(Naegleria
gruberi) 		no annotation 5 LEU A 292
GLY A 291
PHE A 241
PHE A 124
THR A 125
 None
 0.96A 3dh0A-5cg9A:
undetectable		 3dh0A-5cg9A:
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLY A 911
PHE A 823
PHE A 805
THR A 804
LEU A 134
 None
None
None
EDO  A1604 ( 4.7A)
None
 1.14A 3dh0A-5dotA:
2.2		 3dh0A-5dotA:
9.47
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.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 VAL A 166
GLY A 165
GLY A 163
ALA A 192
LEU A 125
 None
 0.66A 3dh0A-5dtrA:
11.9		 3dh0A-5dtrA:
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.
5eyi NON-STRUCTURAL
PROTEIN 11

(Porcine
reproductive
and respiratory
syndrome virus) 		no annotation 5 GLY A 106
ALA A  67
PHE A 103
THR A 105
LEU A 116
 None
 1.34A 3dh0A-5eyiA:
undetectable		 3dh0A-5eyiA:
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.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 LEU A 161
VAL A 307
SER A 227
THR A 250
LEU A 282
 None
 1.09A 3dh0A-5fkcA:
undetectable		 3dh0A-5fkcA:
13.83
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 5 PHE A 675
LEU A 654
GLY A 615
ALA A 613
THR A 616
 None
 1.35A 3dh0A-5fkrA:
undetectable		 3dh0A-5fkrA:
13.80
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.
5fsw RNA DEPENDENT RNA
POLYMERASE QDE-1

(Thielavia
terrestris) 		PF05183
(RdRP) 		5 GLY A 954
GLY A 486
VAL A 949
PHE A 959
LEU A 829
 None
 1.15A 3dh0A-5fswA:
undetectable		 3dh0A-5fswA:
12.17
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU C 358
GLY C 353
GLY C 357
SER C 308
ALA C 351
 None
 1.20A 3dh0A-5g5gC:
undetectable		 3dh0A-5g5gC:
14.81
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.
5h36 UNCHARACTERIZED
PROTEIN TRIC

(Rhodobacter
sphaeroides) 		no annotation 5 GLY E 159
GLY E 180
PHE E 185
VAL E 164
ALA E 155
 None
 1.30A 3dh0A-5h36E:
undetectable		 3dh0A-5h36E:
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.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		5 PHE A 514
LEU A 587
GLY A 536
PHE A 588
VAL A 582
 None
 1.41A 3dh0A-5h3oA:
undetectable		 3dh0A-5h3oA:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iaa UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5

(Homo sapiens) 		PF00899
(ThiF) 		5 LEU A 102
VAL A  84
GLY A  85
PHE A 103
THR A  88
 None
 1.01A 3dh0A-5iaaA:
5.3		 3dh0A-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.
5it0 PHOSPHOSERINE
PHOSPHATASE

(Mycobacterium
avium) 		PF12710
(HAD)
PF13740
(ACT_6) 		5 VAL A 341
GLY A 342
GLY A 344
THR A 191
LEU A 379
 None
 0.87A 3dh0A-5it0A:
2.0		 3dh0A-5it0A:
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.
5jhe PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP7

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase)
PF00515
(TPR_1) 		5 PHE A  62
GLY A  74
VAL A  89
ALA A 132
PHE A 145
 None
 1.21A 3dh0A-5jheA:
undetectable		 3dh0A-5jheA:
18.30
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.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 PHE A 518
VAL A 515
GLY A 516
GLY A 499
THR A 534
 None
 1.30A 3dh0A-5kshA:
undetectable		 3dh0A-5kshA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 PHE A 518
VAL A 515
GLY A 516
GLY A 545
THR A 534
 None
 1.33A 3dh0A-5kshA:
undetectable		 3dh0A-5kshA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3dh0A-5mq6A:
3.4		 3dh0A-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.
5mze 7,8-DIHYDRO-8-OXOGUA
NINE TRIPHOSPHATASE

(Mus musculus) 		no annotation 5 LEU A  11
GLY A  36
GLY A  34
ALA A  49
PHE A  86
 None
8DG  A 204 (-3.4A)
None
None
None
 1.21A 3dh0A-5mzeA:
undetectable		 3dh0A-5mzeA:
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.
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
 1.03A 3dh0A-5nboA:
undetectable		 3dh0A-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.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 VAL A  38
GLY A  39
GLY A  95
PHE A 129
SER A 407
 None
 1.22A 3dh0A-5neuA:
undetectable		 3dh0A-5neuA:
14.72
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.
5tc4 BIFUNCTIONAL
METHYLENETETRAHYDROF
OLATE
DEHYDROGENASE/CYCLOH
YDROLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 GLY A 128
VAL A  72
ALA A 328
THR A 324
LEU A 320
 None
 1.38A 3dh0A-5tc4A:
undetectable		 3dh0A-5tc4A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ttk AMINE OXIDASE

(Pseudomonas
putida) 		PF01593
(Amino_oxidase) 		5 LEU A  88
VAL A  59
GLY A  60
GLY A  62
ALA A  84
 None
FAD  A 501 (-4.7A)
FAD  A 501 (-3.1A)
FAD  A 501 (-3.5A)
FAD  A 501 (-3.3A)
 1.38A 3dh0A-5ttkA:
undetectable		 3dh0A-5ttkA:
20.33
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 GLY A  44
GLY A  49
VAL A 128
ALA A  93
LEU A 115
 None
 1.32A 3dh0A-5um6A:
4.0		 3dh0A-5um6A:
13.24
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.
5vn2 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 LEU A  61
GLY A 116
ALA A 123
THR A 121
LEU A 172
 NAD  A 301 (-4.3A)
None
None
None
None
 1.26A 3dh0A-5vn2A:
6.7		 3dh0A-5vn2A:
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.
5vye L-THREONINE ALDOLASE

(Pseudomonas
putida) 		no annotation 5 VAL A 148
GLY A 149
GLY A 291
ALA A 145
THR A 150
 None
 1.15A 3dh0A-5vyeA:
2.6		 3dh0A-5vyeA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 VAL A 289
GLY A 290
GLY A 292
PHE A 262
THR A 357
 None
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
None
SAH  A 703 (-3.2A)
 0.90A 3dh0A-5wp4A:
18.5		 3dh0A-5wp4A:
18.22
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.
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
 1.13A 3dh0A-5wqnA:
7.8		 3dh0A-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.
5xav INTRACELLULAR
POLYHYDROXYALKANOATE
SYNTHASE

(Chromobacterium
sp. USM2) 		PF07167
(PhaC_N) 		5 PHE A 214
LEU A 288
VAL A 292
GLY A 293
GLY A 289
 None
 1.26A 3dh0A-5xavA:
2.2		 3dh0A-5xavA:
18.11
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 LEU A  14
GLY A   8
GLY A  10
SER A 155
LEU A 147
 None
FAD  A 501 (-3.3A)
FAD  A 501 (-3.4A)
None
None
 1.23A 3dh0A-6c7sA:
3.4		 3dh0A-6c7sA:
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.
6crj NORWALK VIRUS, MNV-1
CAPSID PROTEIN
CHIMERA

(Norwalk virus) 		no annotation 5 GLY B 115
ALA B 117
PHE B 118
THR B 119
LEU B 190
 None
 1.12A 3dh0A-6crjB:
undetectable		 3dh0A-6crjB:
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 ACTF

(Rhodothermus
marinus) 		no annotation 5 LEU F  48
VAL F 390
GLY F 387
GLY F  44
LEU F  76
 None
 1.30A 3dh0A-6f0kF:
undetectable		 3dh0A-6f0kF:
undetectable