SIMILAR PATTERNS OF AMINO ACIDS FOR 4R29_B_SAMB301

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.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		5 ALA A  27
GLY A  11
ALA A 108
GLY A  68
TYR A  94
 None
 1.12A 4r29B-1dctA:
1.1		 4r29B-1dctA:
19.70
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.
1eh5 PALMITOYL PROTEIN
THIOESTERASE 1

(Bos taurus) 		PF02089
(Palm_thioest) 		5 SER A  50
ALA A 111
MET A 112
GLY A 113
PHE A 114
 None
 1.24A 4r29B-1eh5A:
undetectable		 4r29B-1eh5A:
19.59
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.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 ALA A 192
ARG A  78
GLY A 253
GLY A 329
PHE A 184
 None
 1.11A 4r29B-1ex0A:
0.0		 4r29B-1ex0A:
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.
1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 GLY A 173
GLU A 238
ALA A 152
GLY A 154
TYR A 156
 None
 1.10A 4r29B-1gz6A:
0.0		 4r29B-1gz6A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ARG A 461
ALA A 398
SER A 469
MET A 463
GLY A 464
 None
 1.13A 4r29B-1kblA:
0.0		 4r29B-1kblA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1
METHANOL
DEHYDROGENASE
SUBUNIT 2

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF02315
(MDH) 		5 SER B  43
GLY B  41
ALA A 176
GLY A 182
TYR A 183
 None
None
PQQ  A 701 (-2.8A)
None
None
 1.26A 4r29B-1lrwB:
undetectable		 4r29B-1lrwB:
15.56
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ALA A1258
GLY A1006
GLU A 802
ALA A 910
GLY A 913
 None
None
TEI  A3006 ( 3.2A)
MOS  A3004 ( 4.7A)
None
 1.08A 4r29B-1n5xA:
0.0		 4r29B-1n5xA:
10.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ARG A  73
GLY A  72
GLU A 355
MET A 344
GLY A 346
 None
 1.18A 4r29B-1o99A:
0.1		 4r29B-1o99A:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 316
GLU A 628
ALA A 650
GLY A  18
TYR A 326
 None
None
None
None
ACR  A3000 (-3.9A)
 1.20A 4r29B-1ulvA:
0.0		 4r29B-1ulvA:
12.18
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 228
GLY A 218
ALA A 238
GLY A 211
TYR A 209
 None
 1.05A 4r29B-1v7vA:
undetectable		 4r29B-1v7vA:
15.60
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.
1vl4 PMBA-RELATED PROTEIN

(Thermotoga
maritima) 		PF01523
(PmbA_TldD) 		5 GLY A 214
GLU A 360
ALA A 377
GLY A 379
TYR A 380
 None
 1.29A 4r29B-1vl4A:
undetectable		 4r29B-1vl4A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00291
(PALP) 		5 ALA B  90
GLY B 118
GLU B 104
ALA B 168
TYR B 181
 None
 1.29A 4r29B-1wdwB:
undetectable		 4r29B-1wdwB:
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus;
Thermus
thermophilus) 		PF02347
(GDC-P)
PF02347
(GDC-P) 		5 ALA B 205
GLY B 153
ALA A 173
GLY B 177
TYR B 178
 None
 1.17A 4r29B-1wytB:
undetectable		 4r29B-1wytB:
18.99
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.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 ALA A 114
SER A 115
GLY A  22
PHE A  21
TYR A 189
 None
 1.19A 4r29B-1yx2A:
undetectable		 4r29B-1yx2A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9n SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		5 ARG A 170
ALA A  92
SER A 147
GLY A 174
ALA A 152
 None
 1.28A 4r29B-1z9nA:
undetectable		 4r29B-1z9nA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 ALA A  87
GLY A 291
ALA A 283
MET A 286
GLY A 287
 None
 1.12A 4r29B-2anpA:
undetectable		 4r29B-2anpA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b6o LENS FIBER MAJOR
INTRINSIC PROTEIN

(Ovis aries) 		PF00230
(MIP) 		5 ALA A 117
SER A  31
GLY A  27
GLU A 134
TYR A 204
 None
 1.21A 4r29B-2b6oA:
1.2		 4r29B-2b6oA:
17.75
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.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		5 ALA A 208
GLY A 204
ALA A 240
GLY A 243
PHE A 205
 None
 1.15A 4r29B-2bfeA:
undetectable		 4r29B-2bfeA:
23.03
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.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		5 GLY A 204
GLU A 282
ALA A 240
GLY A 243
PHE A 205
 None
 1.18A 4r29B-2bfeA:
undetectable		 4r29B-2bfeA:
23.03
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.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A 350
GLY A 318
GLY A 250
PHE A 249
TYR A 257
 None
AMP  A1001 (-3.5A)
None
None
None
 1.11A 4r29B-2d1qA:
undetectable		 4r29B-2d1qA:
16.45
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.
2dna UNNAMED PROTEIN
PRODUCT

(Mus musculus) 		PF00627
(UBA) 		5 ALA A  36
ALA A  28
MET A  29
GLY A  30
PHE A  31
 None
 1.07A 4r29B-2dnaA:
undetectable		 4r29B-2dnaA:
17.37
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.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Ensifer
adhaerens) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ALA A  13
SER A  10
GLY A   8
ALA A  66
GLY A   5
 None
NDP  A1500 (-4.0A)
NDP  A1500 (-3.0A)
None
None
 1.12A 4r29B-2glxA:
undetectable		 4r29B-2glxA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kxi PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neisseria
meningitidis) 		no annotation 5 ARG A 124
ALA A 125
GLY A 129
ALA A  56
TYR A  68
 None
 1.24A 4r29B-2kxiA:
undetectable		 4r29B-2kxiA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		5 ALA A 634
GLY A 672
ALA A 264
GLY A 251
PHE A 636
 None
 1.22A 4r29B-2o5pA:
undetectable		 4r29B-2o5pA:
14.51
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.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 5 ARG A 192
GLY A 177
ALA A 238
PHE A 176
TYR A 181
 None
 1.20A 4r29B-2p4oA:
undetectable		 4r29B-2p4oA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE

(Porphyromonas
gingivalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 GLY A  12
ALA A  98
GLY A  96
PHE A  11
TYR A  91
 SO4  A 318 ( 3.3A)
None
None
None
None
 1.26A 4r29B-2qytA:
undetectable		 4r29B-2qytA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r5v PCZA361.1

(Amycolatopsis
orientalis) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 ALA A 134
SER A 133
GLY A 131
ALA A  79
TYR A   8
 None
 1.18A 4r29B-2r5vA:
undetectable		 4r29B-2r5vA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vgi PYRUVATE KINASE
ISOZYMES R/L

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		5 ARG A 216
GLY A 256
GLU A 347
ALA A 346
TYR A 218
 None
 1.23A 4r29B-2vgiA:
undetectable		 4r29B-2vgiA:
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.
3cnj CHOLESTEROL OXIDASE

(Streptomyces
sp. SA-COO) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ALA A 212
SER A 341
ALA A 123
MET A 122
GLY A 121
 None
None
None
FAD  A 510 (-4.0A)
FAD  A 510 (-4.0A)
 1.19A 4r29B-3cnjA:
undetectable		 4r29B-3cnjA:
18.81
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.
3efm FERRIC ALCALIGIN
SIDEROPHORE RECEPTOR

(Bordetella
pertussis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ALA A 483
GLY A 520
ALA A 148
GLY A 135
PHE A 485
 None
 1.20A 4r29B-3efmA:
undetectable		 4r29B-3efmA:
15.74
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.
3fhc ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD) 		6 SER B 116
GLY B 143
ALA B 109
MET B 110
GLY B 111
PHE B 112
 None
 1.45A 4r29B-3fhcB:
undetectable		 4r29B-3fhcB:
22.35
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.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 SER A 116
ALA A 109
MET A 110
GLY A 111
PHE A 112
 None
None
None
None
ANP  A 480 (-3.5A)
 1.20A 4r29B-3fhtA:
undetectable		 4r29B-3fhtA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbj KIF13B PROTEIN

(Homo sapiens) 		PF00225
(Kinesin) 		5 ARG A  11
GLY A  75
ALA A 117
GLY A 115
TYR A 111
 ADP  A2001 ( 3.8A)
None
None
None
ADP  A2001 (-3.5A)
 1.11A 4r29B-3gbjA:
undetectable		 4r29B-3gbjA:
20.06
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 ALA A 221
GLY A 191
ALA A 162
MET A 163
GLY A 164
 None
SAH  A 350 (-3.6A)
MQA  A 351 (-3.7A)
SAH  A 350 ( 3.7A)
None
 1.06A 4r29B-3gxoA:
undetectable		 4r29B-3gxoA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		5 ALA A 130
SER A 133
GLY A  46
ALA A 140
GLY A 105
 None
None
None
None
5RP  A 501 (-3.5A)
 1.29A 4r29B-3hheA:
undetectable		 4r29B-3hheA:
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 ALA A 465
GLY A 249
ALA A 233
GLY A 235
PHE A 248
 None
 1.26A 4r29B-3i5gA:
undetectable		 4r29B-3i5gA:
13.53
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.
3ihu TRANSCRIPTIONAL
REGULATOR, GNTR
FAMILY

(Cupriavidus
pinatubonensis) 		PF00392
(GntR)
PF07729
(FCD) 		5 ALA A  58
GLY A  23
ALA A  46
GLY A  49
PHE A  48
 None
 1.10A 4r29B-3ihuA:
undetectable		 4r29B-3ihuA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2q PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Marinobacter
hydrocarbonoclasticus) 		PF00365
(PFK) 		5 ARG A 303
SER A 158
GLY A 155
ALA A  75
GLY A  73
 None
 1.29A 4r29B-3k2qA:
undetectable		 4r29B-3k2qA:
20.14
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 SER X 615
GLY X 352
ALA X 417
GLY X 395
TYR X 397
 None
 1.24A 4r29B-3kvnX:
undetectable		 4r29B-3kvnX:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lwk BETA-CRYSTALLIN A4

(Homo sapiens) 		PF00030
(Crystall) 		5 SER A 152
GLY A 159
ALA A  79
GLY A  81
TYR A  74
 GOL  A   2 ( 3.7A)
None
None
None
None
 1.24A 4r29B-3lwkA:
undetectable		 4r29B-3lwkA:
19.57
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.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		5 ALA A 210
SER A 208
GLU A 312
GLY A 460
TYR A 458
 None
 1.16A 4r29B-3njxA:
undetectable		 4r29B-3njxA:
18.61
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.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 ALA A 451
SER A 486
GLY A 487
GLU A 513
TYR A 455
 None
 1.23A 4r29B-3nvaA:
undetectable		 4r29B-3nvaA:
18.08
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.
3p7m MALATE DEHYDROGENASE

(Francisella
tularensis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 151
SER A 150
GLY A 146
ALA A 243
GLY A 239
 None
 0.98A 4r29B-3p7mA:
undetectable		 4r29B-3p7mA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A  49
GLU A 446
ALA A 128
GLY A 131
TYR A  26
 None
 1.21A 4r29B-3pfeA:
undetectable		 4r29B-3pfeA:
19.96
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.
3qpd CUTINASE 1

(Aspergillus
oryzae) 		PF01083
(Cutinase) 		6 ALA A 204
SER A 205
GLU A  50
ALA A  47
GLY A 124
TYR A 125
 None
None
None
SEP  A 126 ( 3.9A)
None
SEP  A 126 ( 4.4A)
 1.29A 4r29B-3qpdA:
undetectable		 4r29B-3qpdA:
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.
3quc INORGANIC
PYROPHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 ALA A 140
GLY A  51
GLU A 171
ALA A 179
TYR A 153
 None
SO4  A 225 ( 3.8A)
None
None
None
 1.27A 4r29B-3qucA:
undetectable		 4r29B-3qucA:
21.97
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.
3rfy PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP38, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00160
(Pro_isomerase) 		5 GLY A 220
ALA A 239
GLY A 237
PHE A 221
TYR A 265
 None
 1.17A 4r29B-3rfyA:
undetectable		 4r29B-3rfyA:
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 403
SER A 399
GLY A 398
ALA A 380
GLY A 382
 None
 1.16A 4r29B-3rimA:
undetectable		 4r29B-3rimA:
14.97
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.
3slr UNCHARACTERIZED
PROTEIN BF1531

(Bacteroides
fragilis) 		no annotation 5 ARG A 108
GLU A 195
ALA A  32
GLY A  29
TYR A  58
 None
 1.22A 4r29B-3slrA:
undetectable		 4r29B-3slrA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA C1258
GLY C1006
GLU C 802
ALA C 910
GLY C 913
 None
None
RMO  C1317 (-4.4A)
RMO  C1317 ( 4.0A)
None
 1.05A 4r29B-3sr6C:
undetectable		 4r29B-3sr6C:
16.04
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.
3taw HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Parabacteroides
distasonis) 		PF04041
(Glyco_hydro_130) 		5 SER A 208
ARG A 152
GLY A 278
ALA A 371
GLY A 369
 None
 1.19A 4r29B-3tawA:
undetectable		 4r29B-3tawA:
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		5 ALA A 387
GLY A 385
ALA A  78
MET A 374
TYR A 376
 None
 1.28A 4r29B-3u7vA:
undetectable		 4r29B-3u7vA:
16.63
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ALA A 189
GLY A 347
ALA A 236
GLY A 239
PHE A 240
 None
 1.21A 4r29B-3uw2A:
undetectable		 4r29B-3uw2A:
17.49
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.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		6 ALA A 177
GLY A 165
ALA A 115
MET A 117
PHE A 162
TYR A 135
 None
 1.49A 4r29B-3wtbA:
undetectable		 4r29B-3wtbA:
21.97
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.
3x3y PHENYLETHYLAMINE
OXIDASE

(Arthrobacter
globiformis) 		PF01179
(Cu_amine_oxid)
PF02728
(Cu_amine_oxidN3) 		5 ALA A 308
GLY A 254
ALA A 402
GLY A 385
PHE A 386
 None
None
TYQ  A 382 ( 4.8A)
None
None
 1.11A 4r29B-3x3yA:
undetectable		 4r29B-3x3yA:
17.16
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ALA A 108
GLY A 103
ALA A 132
MET A 133
GLY A 134
 None
 1.18A 4r29B-3zh4A:
undetectable		 4r29B-3zh4A:
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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus) 		PF00144
(Beta-lactamase) 		5 GLY A 247
ALA A 255
MET A 254
GLY A 253
PHE A 185
 None
 1.25A 4r29B-3zytA:
undetectable		 4r29B-3zytA:
19.46
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 627
ARG A 630
GLY A 585
ALA A 341
GLY A 337
 None
 1.29A 4r29B-4c30A:
undetectable		 4r29B-4c30A:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ce4 MRPL39

(Sus scrofa) 		no annotation 5 ARG c 153
GLY c 255
ALA c 144
MET c 145
GLY c 148
 None
 1.30A 4r29B-4ce4c:
undetectable		 4r29B-4ce4c:
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.
4d8u D-CYSTEINE
DESULFHYDRASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A  60
ALA A 163
MET A 167
GLY A 165
PHE A  57
 None
 1.09A 4r29B-4d8uA:
undetectable		 4r29B-4d8uA:
20.06
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.
4e6p PROBABLE SORBITOL
DEHYDROGENASE
(L-IDITOL
2-DEHYDROGENASE)

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ALA A  46
ARG A  42
GLU A 226
ALA A 225
GLY A  17
 None
 1.00A 4r29B-4e6pA:
undetectable		 4r29B-4e6pA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e8d GLYCOSYL HYDROLASE,
FAMILY 35

(Streptococcus
pneumoniae) 		PF01301
(Glyco_hydro_35) 		5 GLY A 208
GLU A 265
ALA A 262
GLY A 211
PHE A 210
 None
 1.21A 4r29B-4e8dA:
undetectable		 4r29B-4e8dA:
16.13
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.
4iiv 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 ARG A   3
ARG A 134
GLY A 229
GLY A 132
TYR A  82
 None
 1.29A 4r29B-4iivA:
undetectable		 4r29B-4iivA:
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.
4ix1 HYPOTHETICAL PROTEIN

(Rhodococcus
opacus) 		no annotation 5 ALA A 234
SER A 118
GLY A 116
ALA A 210
GLY A 208
 None
 1.10A 4r29B-4ix1A:
undetectable		 4r29B-4ix1A:
22.39
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.
4mou ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Paenarthrobacter
aurescens) 		PF00378
(ECH_1) 		5 ALA A 145
GLY A 175
ALA A  72
MET A 119
GLY A 120
 None
 1.02A 4r29B-4mouA:
undetectable		 4r29B-4mouA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nq8 PUTATIVE PERIPLASMIC
SUBSTRATE-BINDING
TRANSPORT PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		5 ALA A  33
SER A  67
GLY A  71
GLU A 208
GLY A  92
 PAF  A 401 ( 4.0A)
None
None
None
None
 1.18A 4r29B-4nq8A:
undetectable		 4r29B-4nq8A:
19.14
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.
4pl7 ACTIN,THYMOSIN
BETA-4

(Homo sapiens;
Komagataella
phaffii) 		PF00022
(Actin)
PF01290
(Thymosin) 		5 ALA A 181
GLY A 302
MET A  16
GLY A  15
TYR A  69
 None
ATP  A 501 (-3.4A)
None
ATP  A 501 (-3.7A)
None
 1.27A 4r29B-4pl7A:
undetectable		 4r29B-4pl7A:
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 SER A 364
GLY A 413
ALA A 551
GLY A 289
TYR A 546
 None
 1.05A 4r29B-4qi6A:
undetectable		 4r29B-4qi6A:
12.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 12 ARG A  89
ALA A  92
SER A  98
ARG A 107
GLY A 110
GLU A 191
ALA A 195
MET A 198
GLY A 199
PHE A 202
TYR A 204
TYR A 212
 GOL  A 302 ( 3.3A)
SAM  A 301 (-3.7A)
SAM  A 301 (-2.6A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.3A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.7A)
 0.31A 4r29B-4r29A:
31.6		 4r29B-4r29A:
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.
4s12 N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Yersinia
enterocolitica) 		PF01380
(SIS) 		5 ALA A 140
SER A 197
GLY A 198
ALA A 109
GLY A  71
 SO4  A 301 (-3.4A)
None
None
None
None
 1.17A 4r29B-4s12A:
undetectable		 4r29B-4s12A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yah D-METHIONINE-BINDING
LIPOPROTEIN METQ

(Escherichia
coli) 		PF03180
(Lipoprotein_9) 		5 ALA X 206
SER X 207
GLY X 210
GLY X 217
TYR X 117
 None
 1.30A 4r29B-4yahX:
1.7		 4r29B-4yahX:
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.
4z3y BENZOYL-COA
REDUCTASE, PUTATIVE

(Geobacter
metallireducens) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 ALA A 184
SER A  93
GLY A 187
ALA A 346
GLY A 350
 MTE  A 703 (-4.8A)
MTE  A 703 (-2.9A)
None
None
None
 1.25A 4r29B-4z3yA:
undetectable		 4r29B-4z3yA:
14.85
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.
5caa NUCLEOSIDE
DIPHOSPHATE KINASE

(Leishmania
major) 		PF00334
(NDK) 		5 SER A 124
ARG A 127
ALA A  47
GLY A  49
TYR A  51
 None
 1.14A 4r29B-5caaA:
undetectable		 4r29B-5caaA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cdc VP1, STRUCTURAL
POLYPROTEIN

(Israeli acute
paralysis virus) 		PF08762
(CRPV_capsid) 		5 ARG A 182
SER A  82
GLY A 184
PHE A 188
TYR A  94
 None
 1.22A 4r29B-5cdcA:
undetectable		 4r29B-5cdcA:
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.
5dl6 PUTATIVE PORIN FOR
VANILLATE
TRAFFICKING (VANP)

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 ARG A 388
ALA A 123
ARG A 156
GLY A 283
GLU A 345
 None
 1.19A 4r29B-5dl6A:
undetectable		 4r29B-5dl6A:
19.00
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.
5erd DESMOGLEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		5 ALA A  22
ALA A  82
GLY A  80
TYR A  40
TYR A  38
 None
 1.16A 4r29B-5erdA:
undetectable		 4r29B-5erdA:
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.
5ey5 LBCATS-A

(synthetic
construct) 		PF00290
(Trp_syntA) 		5 ALA A 155
GLY A 181
GLU A  49
GLY A 211
PHE A 212
 None
None
G3P  A 301 (-3.1A)
G3P  A 301 ( 4.8A)
G3P  A 301 (-4.6A)
 1.11A 4r29B-5ey5A:
undetectable		 4r29B-5ey5A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY B 563
GLU B  37
ALA B  39
GLY B  41
TYR B  42
 None
 1.21A 4r29B-5fq6B:
undetectable		 4r29B-5fq6B:
11.89
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.
5ghe PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 5 ARG A 343
GLY A 163
GLU A 173
ALA A 333
GLY A 336
 None
 1.24A 4r29B-5gheA:
undetectable		 4r29B-5gheA:
19.27
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.
5gwn PROTEIN RCC2

(Homo sapiens) 		PF00415
(RCC1) 		5 ALA A 111
SER A 494
GLY A 492
GLU A 178
GLY A 175
 None
 1.04A 4r29B-5gwnA:
undetectable		 4r29B-5gwnA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6b ALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 ALA A 254
GLY A 410
ALA A 274
GLY A 276
TYR A 278
 None
 1.21A 4r29B-5j6bA:
undetectable		 4r29B-5j6bA:
17.02
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.
5jkp UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF08238
(Sel1) 		5 ALA A 187
SER A 180
GLY A 183
ALA A 221
GLY A 217
 None
 1.18A 4r29B-5jkpA:
undetectable		 4r29B-5jkpA:
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.
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF01392
(Fz)
PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 ALA A 236
ALA A 524
MET A 525
GLY A 527
PHE A 526
 None
 1.28A 4r29B-5l7dA:
1.1		 4r29B-5l7dA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhk LEUCINE
AMINOPEPTIDASE 2,
CHLOROPLASTIC

(Streptomyces
sp. BC16019) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ALA A 465
GLY A 387
GLU A 476
GLY A 483
PHE A 484
 None
 1.30A 4r29B-5lhkA:
0.6		 4r29B-5lhkA:
15.89
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.
5ns8 -

(-) 		no annotation 5 ALA A  52
ALA A  44
GLY A 406
PHE A 401
TYR A 407
 None
 1.22A 4r29B-5ns8A:
undetectable		 4r29B-5ns8A:
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.
5ol2 ACYL-COA
DEHYDROGENASE

(Clostridioides
difficile) 		no annotation 5 GLY C  83
ALA C 114
MET C  50
TYR C  68
TYR C  54
 None
 1.19A 4r29B-5ol2C:
3.1		 4r29B-5ol2C:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		5 ALA A 345
SER A 343
ARG A 379
GLY A 342
GLU A 599
 7A2  A 901 (-3.6A)
7A2  A 901 (-3.6A)
7A2  A 901 (-2.9A)
None
None
 1.14A 4r29B-5te1A:
undetectable		 4r29B-5te1A:
13.71
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.
5tuf TETRACYCLINE
DESTRUCTASE TET(50)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		5 ARG A  49
GLY A 345
ALA A 373
MET A 374
PHE A 344
 FAD  A 405 ( 4.6A)
None
None
None
None
 1.11A 4r29B-5tufA:
0.8		 4r29B-5tufA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tum TETRACYCLINE
DESTRUCTASE TET(56)

(Legionella
longbeachae) 		PF01494
(FAD_binding_3) 		5 ARG A  49
GLY A 345
ALA A 372
MET A 373
PHE A 344
 None
 1.21A 4r29B-5tumA:
undetectable		 4r29B-5tumA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 ALA A 200
ARG A 204
ALA A 215
GLY A 213
TYR A 212
 None
 1.25A 4r29B-5u2wA:
undetectable		 4r29B-5u2wA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ue7 PHOSPHOMANNOMUTASE

(Candida
albicans) 		PF03332
(PMM) 		5 GLY A 129
GLU A  85
ALA A  79
GLY A  76
TYR A 195
 None
 1.16A 4r29B-5ue7A:
undetectable		 4r29B-5ue7A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		5 ALA A 236
ALA A 524
MET A 525
GLY A 527
PHE A 526
 None
 1.28A 4r29B-5v57A:
1.4		 4r29B-5v57A:
15.17
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.
5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 ARG A 283
SER A 351
GLY A 257
ALA A  84
GLY A 284
 None
 1.30A 4r29B-5v7iA:
1.5		 4r29B-5v7iA:
17.97
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.
5vft PROTEASOME SUBUNIT
BETA TYPE-4

(Homo sapiens) 		no annotation 5 SER T  54
GLY T  52
ALA T 134
GLY T 123
TYR T 132
 None
 1.22A 4r29B-5vftT:
undetectable		 4r29B-5vftT:
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.
5vsj ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE
1

(Streptomyces
coelicolor) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		5 GLY A 509
ALA A 244
MET A 245
GLY A 246
PHE A 247
 None
 1.02A 4r29B-5vsjA:
undetectable		 4r29B-5vsjA:
13.67
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 ALA A 443
GLY A 366
ALA A 387
GLY A 391
TYR A 392
 None
 1.26A 4r29B-5xapA:
undetectable		 4r29B-5xapA:
14.84
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.
6co9 PROBABLE
COA-TRANSFERASE
ALPHA SUBUNIT

(Rhodococcus
jostii) 		no annotation 5 ALA A  66
SER A  65
GLY A  61
ALA A  37
MET A  36
 None
 1.12A 4r29B-6co9A:
undetectable		 4r29B-6co9A:
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.
6co9 PROBABLE
COA-TRANSFERASE
ALPHA SUBUNIT

(Rhodococcus
jostii) 		no annotation 5 ALA A  66
SER A  65
GLY A  61
GLU A 281
ALA A  37
 None
 1.16A 4r29B-6co9A:
undetectable		 4r29B-6co9A:
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.
6con COA-TRANSFERASE
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 6 ALA A  63
SER A  62
GLY A  58
GLU A 278
ALA A  34
MET A  33
 None
 1.20A 4r29B-6conA:
undetectable		 4r29B-6conA:
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.
6ehe OMPT PROTEIN

(Vibrio cholerae) 		no annotation 5 ARG A 307
SER A  35
GLY A  34
GLU A 286
GLY A 305
 MG  A 409 (-3.5A)
None
None
None
None
 1.26A 4r29B-6eheA:
undetectable		 4r29B-6eheA:
undetectable