SIMILAR PATTERNS OF AMINO ACIDS FOR 5D4U_C_SAMC301

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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 GLY A 565
TYR A 604
LEU A 562
GLY A 536
ILE A 537
 NAP  A 752 ( 4.9A)
NAP  A 752 (-3.7A)
None
None
None
 0.97A 5d4uC-1amoA:
undetectable		 5d4uC-1amoA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1brr PROTEIN
(BACTERIORHODOPSIN)

(Halobacterium
salinarum) 		PF01036
(Bac_rhodopsin) 		5 TYR A 185
TRP A 189
ILE A 148
GLY A 116
ILE A 117
 RET  A 999 (-3.5A)
RET  A 999 ( 4.3A)
None
ARC  A1002 ( 3.8A)
ARC  A1002 (-4.6A)
 0.99A 5d4uC-1brrA:
undetectable		 5d4uC-1brrA:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 138
ILE A 121
LEU A 122
THR A 115
GLY A  56
 None
 0.98A 5d4uC-1cg2A:
undetectable		 5d4uC-1cg2A:
22.67
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.
1f20 NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 GLY A1282
TYR A1322
LEU A1279
GLY A1252
ILE A1253
 None
NAP  A1502 ( 3.4A)
None
None
None
 0.94A 5d4uC-1f20A:
undetectable		 5d4uC-1f20A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g5q EPIDERMIN MODIFYING
ENZYME EPID

(Staphylococcus
epidermidis) 		PF02441
(Flavoprotein) 		5 GLY A 106
ILE A  70
THR A 105
ILE A  68
GLY A  93
 None
 0.93A 5d4uC-1g5qA:
3.3		 5d4uC-1g5qA:
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.
1gll GLYCEROL KINASE

(Escherichia
coli) 		no annotation 5 GLY Y 244
LEU Y 250
GLY Y 241
ILE Y  79
GLY Y 252
 None
 1.01A 5d4uC-1gllY:
undetectable		 5d4uC-1gllY:
19.36
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 GLY A 319
LEU A 251
GLY A 332
ILE A 329
GLY A 272
 None
 1.03A 5d4uC-1hcuA:
undetectable		 5d4uC-1hcuA:
19.41
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.
1mc0 3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 2A

(Mus musculus) 		PF01590
(GAF)
PF13185
(GAF_2) 		5 ILE A 410
LEU A 406
GLY A 538
ILE A 541
GLY A 466
 None
 0.82A 5d4uC-1mc0A:
undetectable		 5d4uC-1mc0A:
21.39
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.
1mf1 ADENYLOSUCCINATE
SYNTHETASE

(Mus musculus) 		PF00709
(Adenylsucc_synt) 		5 GLY A  65
HIS A 135
GLY A  99
ILE A  98
GLY A 278
 None
 0.96A 5d4uC-1mf1A:
undetectable		 5d4uC-1mf1A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p43 ENOLASE 1

(Saccharomyces
cerevisiae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 228
LEU A 225
GLY A 244
ILE A 291
GLY A 427
 None
 0.95A 5d4uC-1p43A:
undetectable		 5d4uC-1p43A:
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.
1tt7 YHFP

(Bacillus
subtilis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 129
ILE A  43
GLY A  66
ILE A  67
GLY A  71
 None
 0.96A 5d4uC-1tt7A:
6.4		 5d4uC-1tt7A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tt7 YHFP

(Bacillus
subtilis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 TYR A  40
ILE A  43
GLY A  66
ILE A  67
GLY A  71
 None
 0.92A 5d4uC-1tt7A:
6.4		 5d4uC-1tt7A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 GLY A 262
TRP A 264
GLY A 150
ILE A 172
GLY A  39
 None
None
None
None
CL  A1002 ( 3.7A)
 0.93A 5d4uC-1u2eA:
2.7		 5d4uC-1u2eA:
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.
1z1e STILBENE SYNTHASE

(Arachis
hypogaea) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 256
HIS A 161
THR A 264
GLY A 262
GLY A 211
 None
 0.99A 5d4uC-1z1eA:
1.5		 5d4uC-1z1eA:
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 GLY A  57
LEU A  71
THR A   6
GLY A  39
ILE A  40
 None
 0.98A 5d4uC-2abqA:
3.2		 5d4uC-2abqA:
24.48
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.
2bfu COWPEA MOSAIC VIRUS,
LARGE (L) SUBUNIT

(Cowpea mosaic
virus) 		PF02247
(Como_LCP) 		5 GLY L 219
ILE L 236
LEU L 193
ILE L 217
GLY L 362
 None
 1.04A 5d4uC-2bfuL:
undetectable		 5d4uC-2bfuL:
21.56
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.
2cq4 RNA BINDING MOTIF
PROTEIN 23

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 210
ILE A 181
GLY A 192
ILE A 193
GLY A 212
 None
 0.99A 5d4uC-2cq4A:
undetectable		 5d4uC-2cq4A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 241
LEU A 247
GLY A 238
ILE A  77
GLY A 249
 None
 0.96A 5d4uC-2dpnA:
undetectable		 5d4uC-2dpnA:
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.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		5 GLY A 101
LEU A 177
ILE A  98
ILE A  78
GLY A 181
 None
 1.00A 5d4uC-2eq5A:
undetectable		 5d4uC-2eq5A:
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.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		5 GLY A 148
LEU A 250
GLY A 154
ILE A 153
GLY A 291
 None
 1.04A 5d4uC-2ewnA:
undetectable		 5d4uC-2ewnA:
21.95
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 MET A 519
THR A 366
GLY A 530
ILE A 529
GLY A 535
 None
 1.00A 5d4uC-2f5vA:
undetectable		 5d4uC-2f5vA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		5 GLY A 287
LEU A 292
LEU A 322
ILE A 279
GLY A 216
 None
 0.98A 5d4uC-2g02A:
undetectable		 5d4uC-2g02A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gqf HYPOTHETICAL PROTEIN
HI0933

(Haemophilus
influenzae) 		PF03486
(HI0933_like) 		5 ILE A 161
MET A 358
LEU A 160
GLY A  11
ILE A  10
 None
None
None
FAD  A 403 (-3.1A)
FAD  A 403 (-4.9A)
 1.03A 5d4uC-2gqfA:
undetectable		 5d4uC-2gqfA:
20.65
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.
2i0z NAD(FAD)-UTILIZING
DEHYDROGENASES

(Bacillus cereus) 		PF03486
(HI0933_like) 		5 GLY A 387
ILE A 401
LEU A 405
GLY A  11
GLY A 175
 FAD  A 501 (-3.2A)
FAD  A 501 (-3.6A)
None
FAD  A 501 (-3.4A)
None
 0.99A 5d4uC-2i0zA:
2.9		 5d4uC-2i0zA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i53 CYCLIN K

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		5 GLY A  96
TYR A  77
LEU A 102
HIS A  79
GLY A 104
 None
 0.94A 5d4uC-2i53A:
undetectable		 5d4uC-2i53A:
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A  30
LEU A 307
LEU A  67
GLY A  60
GLY A 304
 GLY  A  30 ( 0.0A)
LEU  A 307 ( 0.6A)
LEU  A  67 ( 0.6A)
GLY  A  60 ( 0.0A)
GLY  A 304 ( 0.0A)
 0.87A 5d4uC-2nvvA:
2.3		 5d4uC-2nvvA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 5 LEU A  76
ILE A 271
LEU A 295
GLY A 226
GLY A 120
 None
 0.97A 5d4uC-2p4oA:
undetectable		 5d4uC-2p4oA:
20.89
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.
2qtz METHIONINE SYNTHASE
REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 GLY A 579
TYR A 624
LEU A 576
GLY A 548
ILE A 549
 None
NAP  A 701 (-3.7A)
None
None
None
 0.97A 5d4uC-2qtzA:
3.5		 5d4uC-2qtzA:
18.06
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.
2v40 ADENYLOSUCCINATE
SYNTHETASE ISOZYME 2

(Homo sapiens) 		PF00709
(Adenylsucc_synt) 		5 GLY A  62
HIS A 134
GLY A  96
ILE A  95
GLY A 277
 None
 0.99A 5d4uC-2v40A:
undetectable		 5d4uC-2v40A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  78
ILE A  61
THR A 109
GLY A  20
GLY A 150
 None
None
CIT  A 401 (-3.6A)
CIT  A 401 (-3.5A)
None
 0.91A 5d4uC-2vxyA:
undetectable		 5d4uC-2vxyA:
21.89
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.
2ww9 SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 GLY A 441
LEU A 436
LEU A 446
GLY A 452
ILE A 453
 None
 0.99A 5d4uC-2ww9A:
undetectable		 5d4uC-2ww9A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		5 GLY A 455
LEU A 473
GLY A 371
ILE A 374
GLY A 387
 None
 1.03A 5d4uC-3ayfA:
undetectable		 5d4uC-3ayfA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 174
LEU A 179
ILE A  41
HIS A  39
THR A 173
 None
None
None
None
TLA  A 502 (-3.6A)
 1.03A 5d4uC-3d46A:
undetectable		 5d4uC-3d46A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3en0 CYANOPHYCINASE

(Synechocystis
sp. PCC 6803) 		PF03575
(Peptidase_S51) 		5 GLY A 130
ILE A  24
LEU A  25
THR A 131
GLY A  14
 None
 1.01A 5d4uC-3en0A:
3.4		 5d4uC-3en0A:
20.61
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.
3f8k PROTEIN
ACETYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF00583
(Acetyltransf_1) 		5 TYR A 113
ILE A 122
GLY A 125
ILE A 124
GLY A  75
 None
None
None
COA  A 301 (-4.6A)
None
 0.95A 5d4uC-3f8kA:
undetectable		 5d4uC-3f8kA:
19.33
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 243
LEU A 249
GLY A 240
ILE A  78
GLY A 251
 None
 0.95A 5d4uC-3g25A:
undetectable		 5d4uC-3g25A:
19.49
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 TYR L 138
HIS L 140
LEU L 152
GLY L 217
ILE L 213
 None
 1.02A 5d4uC-3g9kL:
undetectable		 5d4uC-3g9kL:
23.68
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A 219
ILE A 211
HIS A 215
GLY A 180
GLY A 157
 None
 0.71A 5d4uC-3grfA:
3.8		 5d4uC-3grfA:
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.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		5 GLY A  35
LEU A 125
THR A 321
ILE A 284
GLY A 297
 None
 0.99A 5d4uC-3h4xA:
undetectable		 5d4uC-3h4xA:
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.
3hly FLAVODOXIN-LIKE
DOMAIN

(Synechococcus
elongatus) 		no annotation 5 GLY A 346
LEU A 370
GLY A 314
ILE A 315
GLY A 284
 None
 0.87A 5d4uC-3hlyA:
3.3		 5d4uC-3hlyA:
22.27
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.
3hn8 SYNAPTOTAGMIN-3

(Rattus
norvegicus) 		PF00168
(C2) 		5 GLY A 299
ILE A 301
GLY A 397
ILE A 396
GLY A 544
 None
 0.99A 5d4uC-3hn8A:
undetectable		 5d4uC-3hn8A:
24.69
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.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 105
MET A  69
LEU A  38
GLY A 307
ILE A 309
 TYR  A 105 ( 1.3A)
GLY  A  53 ( 3.5A)
LEU  A  38 ( 0.6A)
GLY  A 307 ( 0.0A)
ILE  A 309 ( 0.7A)
 1.03A 5d4uC-3i4kA:
undetectable		 5d4uC-3i4kA:
20.05
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.
3ilr HEPARIN LYASE I

(Bacteroides
thetaiotaomicron) 		PF14099
(Polysacc_lyase) 		5 GLY A 343
ILE A 299
GLY A 315
ILE A 340
GLY A 305
 None
 0.98A 5d4uC-3ilrA:
undetectable		 5d4uC-3ilrA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 GLY X 353
LEU X 618
THR X 377
GLY X 395
GLY X 349
 None
 1.02A 5d4uC-3kvnX:
undetectable		 5d4uC-3kvnX:
17.94
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.
3l12 PUTATIVE
GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Ruegeria
pomeroyi) 		PF03009
(GDPD) 		5 GLY A 291
LEU A 309
ILE A 269
LEU A 247
GLY A   9
 None
None
None
None
CL  A 316 ( 4.2A)
 0.98A 5d4uC-3l12A:
undetectable		 5d4uC-3l12A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lso PUTATIVE MEMBRANE
ANCHORED PROTEIN

(Corynebacterium
diphtheriae) 		PF16640
(Big_3_5) 		5 GLY B 321
TYR B 319
LEU B 348
ILE B 323
GLY B 452
 None
 1.04A 5d4uC-3lsoB:
undetectable		 5d4uC-3lsoB:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pqv RCL1 PROTEIN

(Kluyveromyces
lactis) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 GLY A 302
TYR A 298
ILE A 351
THR A 178
GLY A 144
 None
 1.01A 5d4uC-3pqvA:
undetectable		 5d4uC-3pqvA:
22.66
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		5 LEU A  45
LEU A 141
THR A  63
ILE A  95
GLY A  14
 None
 0.90A 5d4uC-3py6A:
undetectable		 5d4uC-3py6A:
22.71
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.
3q6t 43.2 KDA SALIVARY
PROTEIN

(Lutzomyia
longipalpis) 		PF03022
(MRJP) 		5 GLY A 155
ILE A 222
LEU A 183
ILE A 225
GLY A 326
 None
 0.96A 5d4uC-3q6tA:
undetectable		 5d4uC-3q6tA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 GLY A 128
ILE A 120
LEU A 134
GLY A 100
GLY A 261
 None
None
None
None
UD1  A 366 (-3.2A)
 0.87A 5d4uC-3s2uA:
5.6		 5d4uC-3s2uA:
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.
3ty4 PROBABLE
HOMOISOCITRATE
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00180
(Iso_dh) 		5 GLY A  48
ILE A  93
LEU A  96
GLY A  77
ILE A  12
 None
 0.88A 5d4uC-3ty4A:
undetectable		 5d4uC-3ty4A:
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 GLY A 151
ILE A 180
GLY A 156
ILE A 148
GLY A  44
 None
 0.90A 5d4uC-3ue1A:
undetectable		 5d4uC-3ue1A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vov GLUCOKINASE

(Thermus
thermophilus) 		PF00480
(ROK) 		5 GLY A 244
LEU A 280
GLY A 137
ILE A 136
GLY A 285
 None
 0.95A 5d4uC-3vovA:
undetectable		 5d4uC-3vovA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsm OCCLUSION-DERIVED
VIRUS ENVELOPE
PROTEIN E66

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF04850
(Baculo_E66) 		5 ILE A 435
MET A 482
GLY A 433
ILE A 520
GLY A 341
 None
 0.91A 5d4uC-3vsmA:
undetectable		 5d4uC-3vsmA:
17.88
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.
3wgk CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  78
ILE A  61
THR A 109
GLY A  20
GLY A 150
 None
None
GDP  A 400 (-3.3A)
GDP  A 400 (-3.5A)
None
 0.99A 5d4uC-3wgkA:
undetectable		 5d4uC-3wgkA:
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 LEU L  59
THR L  99
GLY L  43
ILE L 101
GLY L 130
 None
 0.97A 5d4uC-3wxrL:
undetectable		 5d4uC-3wxrL:
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.
3zzf ACETYLGLUTAMATE
KINASE

(Saccharomyces
cerevisiae) 		PF00696
(AA_kinase) 		5 GLY A 255
ILE A 313
LEU A 317
ILE A 266
GLY A 135
 None
None
None
EDO  A1354 (-4.7A)
NLG  A1360 (-3.2A)
 0.97A 5d4uC-3zzfA:
undetectable		 5d4uC-3zzfA:
22.88
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.
4at0 3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E

(Rhodococcus
jostii) 		PF00890
(FAD_binding_2) 		5 GLY A 181
LEU A 188
THR A  60
GLY A  30
ILE A  31
 None
None
FAD  A1493 (-3.6A)
FAD  A1493 (-3.3A)
FAD  A1493 (-4.6A)
 0.90A 5d4uC-4at0A:
undetectable		 5d4uC-4at0A:
20.91
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 GLY A 361
ILE A 375
LEU A 379
GLY A  12
GLY A 174
 FAD  A1392 (-3.2A)
FAD  A1392 (-4.2A)
None
FAD  A1392 (-3.4A)
None
 1.04A 5d4uC-4cnkA:
undetectable		 5d4uC-4cnkA:
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.
4dwd MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  38
LEU A 109
ILE A 100
ILE A 357
GLY A 111
 None
 0.94A 5d4uC-4dwdA:
undetectable		 5d4uC-4dwdA:
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.
4gis ENOLASE

(Vibrio harveyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 316
LEU A  21
LEU A 323
GLY A 286
ILE A 287
 None
 1.01A 5d4uC-4gisA:
undetectable		 5d4uC-4gisA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gky PROTEIN ERGIC-53

(Homo sapiens) 		PF03388
(Lectin_leg-like) 		5 GLY A 245
LEU A 133
GLY A 148
ILE A 149
GLY A 135
 None
 0.99A 5d4uC-4gkyA:
undetectable		 5d4uC-4gkyA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 TYR A 378
LEU A 708
GLY A 626
ILE A 681
GLY A  71
 None
 0.99A 5d4uC-4iglA:
undetectable		 5d4uC-4iglA:
10.81
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.
4l1f ACYL-COA
DEHYDROGENASE DOMAIN
PROTEIN

(Acidaminococcus
fermentans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A  82
ILE A 208
THR A  86
ILE A  42
GLY A 245
 None
 0.94A 5d4uC-4l1fA:
undetectable		 5d4uC-4l1fA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 GLY A 676
TRP A 707
GLY A 680
ILE A 678
GLY A  60
 None
None
None
None
EDO  A 805 (-3.7A)
 1.04A 5d4uC-4lgnA:
undetectable		 5d4uC-4lgnA:
15.26
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 GLY A 727
LEU A 449
GLY A 724
ILE A 730
GLY A  60
 None
None
None
None
EDO  A 805 (-3.7A)
 0.95A 5d4uC-4lgnA:
undetectable		 5d4uC-4lgnA:
15.26
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 GLY A 727
LEU A 449
THR A 725
GLY A 724
GLY A  60
 None
None
None
None
EDO  A 805 (-3.7A)
 0.94A 5d4uC-4lgnA:
undetectable		 5d4uC-4lgnA:
15.26
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.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		6 GLY A1294
TYR A1312
LEU A1071
THR A1310
GLY A1093
ILE A1308
 ATP  A1402 ( 3.7A)
ATP  A1402 (-4.9A)
None
ATP  A1402 (-4.7A)
None
None
 1.19A 5d4uC-4n1aA:
undetectable		 5d4uC-4n1aA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		5 GLY A1294
TYR A1312
LEU A1071
GLY A1093
ILE A1308
 ATP  A1404 ( 3.7A)
ATP  A1404 (-4.8A)
None
None
None
 0.96A 5d4uC-4nh0A:
undetectable		 5d4uC-4nh0A:
12.34
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A  77
ILE A 199
HIS A 201
GLY A  74
GLY A  12
 None
 0.88A 5d4uC-4oc9A:
3.8		 5d4uC-4oc9A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 LEU K  59
THR K  99
GLY K  43
ILE K 101
GLY K 130
 None
 1.01A 5d4uC-4qv9K:
undetectable		 5d4uC-4qv9K:
22.66
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.
4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED

(Thermoanaerobacter
italicus) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 GLY A 232
ILE A 309
GLY A 307
ILE A 267
GLY A 390
 None
None
ALA  A 505 (-3.2A)
None
None
 1.02A 5d4uC-4wcxA:
undetectable		 5d4uC-4wcxA:
24.38
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.
4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED

(Thermoanaerobacter
italicus) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 GLY A 307
TYR A 305
GLY A 326
ILE A 327
GLY A  41
 ALA  A 505 (-3.2A)
None
None
None
None
 1.02A 5d4uC-4wcxA:
undetectable		 5d4uC-4wcxA:
24.38
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.
4wd0 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Paenarthrobacter
aurescens) 		PF00977
(His_biosynth) 		5 GLY A 227
ILE A 225
HIS A  55
GLY A 202
ILE A 204
 CL  A 301 (-4.2A)
None
None
None
CL  A 301 ( 3.8A)
 0.93A 5d4uC-4wd0A:
undetectable		 5d4uC-4wd0A:
23.30
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.
4yb9 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Bos taurus) 		PF00083
(Sugar_tr) 		5 GLY D  27
ILE D 170
GLY D 173
ILE D 172
GLY D 200
 None
 0.95A 5d4uC-4yb9D:
undetectable		 5d4uC-4yb9D:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z6k ALCOHOL
DEHYDROGENASE

(Moraxella sp.
TAE123) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 262
LEU A 157
THR A 237
GLY A 177
ILE A 170
 None
 0.92A 5d4uC-4z6kA:
7.0		 5d4uC-4z6kA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5az3 ABC-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Corynebacterium
glutamicum) 		PF01497
(Peripla_BP_2) 		5 MET A 269
LEU A 239
THR A 319
GLY A 322
ILE A 316
 None
 0.88A 5d4uC-5az3A:
undetectable		 5d4uC-5az3A:
20.79
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.
5c5x AQUAPORIN-5

(Homo sapiens) 		PF00230
(MIP) 		5 GLY A 166
LEU A  56
HIS A 173
LEU A 171
GLY A  66
 None
 1.00A 5d4uC-5c5xA:
undetectable		 5d4uC-5c5xA:
19.30
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.
5crv TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 23

(Homo sapiens) 		PF03097
(BRO1) 		5 GLY A  73
LEU A  68
ILE A 356
THR A 352
GLY A 353
 None
 0.95A 5d4uC-5crvA:
undetectable		 5d4uC-5crvA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1
ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA2

(Lactobacillus
delbrueckii;
Lactobacillus
delbrueckii) 		PF00005
(ABC_tran)
PF00005
(ABC_tran) 		5 ILE A 240
LEU A 237
GLY A  40
ILE A  39
GLY B 149
 None
 0.96A 5d4uC-5d3mA:
undetectable		 5d4uC-5d3mA:
20.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d5t UNCHARACTERIZED
PROTEIN MJ0489

(Methanocaldococcus
jannaschii) 		PF06690
(DUF1188) 		7 GLY A  54
ILE A  78
LEU A  97
THR A 118
GLY A 122
ILE A 123
GLY A 184
 None
 0.64A 5d4uC-5d5tA:
35.9		 5d4uC-5d5tA:
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
8

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		5 GLY B 512
TYR B 516
ILE B 431
GLY B 456
ILE B 459
 None
 0.79A 5d4uC-5do7B:
undetectable		 5d4uC-5do7B:
18.39
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 5 GLY A 756
LEU A 481
THR A 754
GLY A 753
GLY A  92
 None
 0.96A 5d4uC-5fkrA:
undetectable		 5d4uC-5fkrA:
16.83
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 LEU A  32
ILE A 131
GLY A 122
ILE A 123
GLY A  17
 None
 1.01A 5d4uC-5fqdA:
undetectable		 5d4uC-5fqdA:
15.14
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		5 GLY A 222
TRP A 166
LEU A 258
GLY A 207
GLY A 217
 None
 1.00A 5d4uC-5gnxA:
undetectable		 5d4uC-5gnxA:
19.92
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.
5hvn 3-DEHYDROQUINATE
SYNTHASE

(Francisella
tularensis) 		PF01761
(DHQ_synthase) 		5 GLY A 112
ILE A 145
LEU A  80
GLY A 155
GLY A 140
 None
 1.00A 5d4uC-5hvnA:
undetectable		 5d4uC-5hvnA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i33 ADENYLOSUCCINATE
SYNTHETASE

(Cryptococcus
neoformans) 		PF00709
(Adenylsucc_synt) 		5 GLY A  40
HIS A 114
GLY A  79
ILE A  78
GLY A 251
 None
 0.95A 5d4uC-5i33A:
undetectable		 5d4uC-5i33A:
20.63
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.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		5 ILE A 370
LEU A 373
GLY A 430
ILE A 414
GLY A 362
 None
 0.97A 5d4uC-5idiA:
undetectable		 5d4uC-5idiA:
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.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 244
TYR A 242
ILE A 250
GLY A 252
GLY A 221
 None
 0.99A 5d4uC-5ijgA:
4.6		 5d4uC-5ijgA:
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.
5j49 UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Paraburkholderia
xenovorans) 		PF00483
(NTP_transferase) 		6 GLY A 112
LEU A 109
ILE A 214
LEU A 210
ILE A 235
GLY A 224
 None
 1.45A 5d4uC-5j49A:
undetectable		 5d4uC-5j49A:
23.64
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.
5kte DIVALENT METAL
CATION TRANSPORTER
MNTH

(Deinococcus
radiodurans) 		PF01566
(Nramp) 		5 GLY A 223
LEU A 374
ILE A 423
GLY A 216
GLY A 295
 None
 1.01A 5d4uC-5kteA:
undetectable		 5d4uC-5kteA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l26 NUCLEOSIDE PERMEASE

(Neisseria
wadsworthii) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 GLY A 212
LEU A 403
LEU A 132
GLY A  34
ILE A  38
 None
 1.01A 5d4uC-5l26A:
undetectable		 5d4uC-5l26A:
23.92
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 ILE A 402
HIS A 403
GLY A  94
ILE A 193
GLY A  87
 FAD  A 901 (-4.6A)
None
FAD  A 901 ( 4.4A)
None
FAD  A 901 (-3.2A)
 1.02A 5d4uC-5l46A:
undetectable		 5d4uC-5l46A:
15.68
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		5 LEU K  59
THR K  99
GLY K  43
ILE K 101
GLY K 129
 None
 0.88A 5d4uC-5l5wK:
undetectable		 5d4uC-5l5wK:
20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o4m HCGC

(Methanococcus
maripaludis) 		PF06690
(DUF1188) 		8 GLY A  49
TYR A  51
LEU A  52
ILE A  73
LEU A  91
THR A 113
GLY A 117
GLY A 176
 SAH  A 301 (-3.4A)
None
SAH  A 301 ( 4.3A)
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.9A)
SAH  A 301 ( 4.1A)
SAH  A 301 (-3.4A)
9KH  A 302 ( 3.3A)
 0.30A 5d4uC-5o4mA:
36.4		 5d4uC-5o4mA:
51.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v4b F-BOX/WD
REPEAT-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		5 GLY B2597
LEU B2594
THR B2584
GLY B2557
ILE B2563
 None
 0.90A 5d4uC-5v4bB:
undetectable		 5d4uC-5v4bB:
19.34
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.
5y81 ACTIN-RELATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		no annotation 5 GLY F  32
TYR F  30
LEU F 462
GLY F 456
ILE F 458
 None
 0.97A 5d4uC-5y81F:
undetectable		 5d4uC-5y81F:
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 5 TYR A 257
LEU A 262
GLY A 337
ILE A 336
GLY A  67
 None
None
PO4  A1002 (-3.2A)
None
None
 1.03A 5d4uC-6brsA:
undetectable		 5d4uC-6brsA:
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 570
THR A 531
GLY A 520
ILE A 523
GLY A  79
 None
 0.99A 5d4uC-6c26A:
undetectable		 5d4uC-6c26A:
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 5 LEU D 362
ILE D 420
GLY D 409
ILE D 408
GLY D 617
 None
None
None
None
CL  D 718 (-4.4A)
 0.90A 5d4uC-6eq8D:
undetectable		 5d4uC-6eq8D:
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		4 LYS A 170
ASP A  19
GLU A 197
THR A 192
 None
 1.11A 5d4uC-1rf5A:
0.0		 5d4uC-1rf5A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b1n SPE31

(Pachyrhizus
erosus) 		PF00112
(Peptidase_C1) 		4 LYS A  18
ASP A  56
GLU A  85
THR A  32
 None
 1.39A 5d4uC-2b1nA:
0.0		 5d4uC-2b1nA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o6x SECRETED CATHEPSIN L
1

(Fasciola
hepatica) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 LYS A 115
ASP A 153
GLU A 183
THR A 129
 None
 1.48A 5d4uC-2o6xA:
undetectable		 5d4uC-2o6xA:
22.63
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		4 LYS A 177
ASP A  27
GLU A 204
THR A 199
 None
 1.05A 5d4uC-2pqdA:
0.5		 5d4uC-2pqdA:
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.
2vhs CATHSILICATEIN

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 LYS A  17
ASP A  55
GLU A  86
THR A  31
 None
 1.37A 5d4uC-2vhsA:
undetectable		 5d4uC-2vhsA:
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.
3f75 CATHEPSIN L PROTEASE

(Toxoplasma
gondii) 		PF00112
(Peptidase_C1) 		4 LYS A  23
ASP A  61
GLU A  92
THR A  37
 None
 1.38A 5d4uC-3f75A:
0.0		 5d4uC-3f75A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hwn CATHEPSIN L1

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 LYS A  17
ASP A  55
GLU A  86
THR A  31
 None
 1.44A 5d4uC-3hwnA:
undetectable		 5d4uC-3hwnA:
24.75
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.
3qj3 CATHEPSIN L-LIKE
PROTEIN

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 LYS A 121
ASP A 161
GLU A 190
THR A 135
 None
 1.37A 5d4uC-3qj3A:
0.0		 5d4uC-3qj3A:
23.46
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.
3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 LYS A 114
ASP A 152
GLU A 182
THR A 128
 None
 1.40A 5d4uC-3qt4A:
0.0		 5d4uC-3qt4A:
20.70
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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		4 LYS A 174
ASP A  24
GLU A 201
THR A 196
 None
 1.05A 5d4uC-3rmtA:
undetectable		 5d4uC-3rmtA:
19.83
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.
4en8 HEMAGGLUTININ
COMPONENTS
HA-22/23/53

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 LYS B 336
ASP B 355
GLU B 338
THR B 362
 None
 1.20A 5d4uC-4en8B:
undetectable		 5d4uC-4en8B:
23.39
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		4 LYS A 485
ASP A 333
GLU A 512
THR A 507
 None
 0.90A 5d4uC-5bs5A:
undetectable		 5d4uC-5bs5A:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d5t UNCHARACTERIZED
PROTEIN MJ0489

(Methanocaldococcus
jannaschii) 		PF06690
(DUF1188) 		4 LYS A  34
ASP A  77
GLU A 139
THR A 185
 None
 0.37A 5d4uC-5d5tA:
35.9		 5d4uC-5d5tA:
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.
5hdf HYDROLASE

(Streptomyces
flocculus) 		no annotation 4 LYS B 274
ASP B 259
GLU B 271
THR B 247
 None
 0.86A 5d4uC-5hdfB:
2.2		 5d4uC-5hdfB:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nf2 MINOR FIMBRIUM
SUBUNIT MFA1

(Porphyromonas
gingivalis) 		no annotation 4 LYS A 363
ASP A 520
GLU A 327
THR A 339
 None
 1.25A 5d4uC-5nf2A:
undetectable		 5d4uC-5nf2A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o4m HCGC

(Methanococcus
maripaludis) 		PF06690
(DUF1188) 		4 LYS A  29
ASP A  72
GLU A 134
THR A 177
 SAH  A 301 (-2.8A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.8A)
 0.39A 5d4uC-5o4mA:
36.4		 5d4uC-5o4mA:
51.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sym ACYL-PROTEIN
THIOESTERASE 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		4 LYS A  97
ASP A  85
GLU A  94
THR A 131
 EDO  A 304 (-2.8A)
None
EDO  A 304 ( 4.4A)
None
 1.49A 5d4uC-5symA:
undetectable		 5d4uC-5symA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6czs -

(-) 		no annotation 4 LYS A 133
ASP A 171
GLU A 202
THR A 147
 None
 1.46A 5d4uC-6czsA:
undetectable		 5d4uC-6czsA:
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.
8pch CATHEPSIN H

(Sus scrofa) 		PF00112
(Peptidase_C1) 		4 LYS A  17
ASP A  55
GLU A  83
THR A  31
 None
 1.35A 5d4uC-8pchA:
undetectable		 5d4uC-8pchA:
22.06