SIMILAR PATTERNS OF AMINO ACIDS FOR 5BXN_V_BO2V301

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.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1) 		PF00082
(Peptidase_S8) 		5 THR A  74
ALA A  77
GLY A  78
ALA A  82
ASP A   5
 None
None
None
CA  A 701 ( 4.9A)
CA  A 701 (-3.2A)
 1.33A 5bxnV-1dbiA:
undetectable
5bxnW-1dbiA:
undetectable		 5bxnV-1dbiA:
22.45
5bxnW-1dbiA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 SER A 641
THR A 588
THR A 245
ALA A 244
ASP A 585
 None
 1.07A 5bxnV-1dedA:
undetectable
5bxnW-1dedA:
undetectable		 5bxnV-1dedA:
16.67
5bxnW-1dedA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f80 HOLO-(ACYL CARRIER
PROTEIN) SYNTHASE

(Bacillus
subtilis) 		PF01648
(ACPS) 		5 THR A  10
GLN A 113
ALA A  51
GLY A  52
ALA A  56
 None
 1.20A 5bxnV-1f80A:
undetectable
5bxnW-1f80A:
undetectable		 5bxnV-1f80A:
20.26
5bxnW-1f80A:
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.
1hdg HOLO-D-GLYCERALDEHYD
E-3-PHOSPHATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 THR O 150
GLN O 182
ALA O 210
GLY O 209
ASP O 192
 SO4  O 339 (-3.5A)
None
None
SO4  O 339 (-3.8A)
None
 1.28A 5bxnV-1hdgO:
undetectable
5bxnW-1hdgO:
undetectable		 5bxnV-1hdgO:
22.13
5bxnW-1hdgO:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hpg GLUTAMIC ACID
SPECIFIC PROTEASE

(Streptomyces
griseus) 		no annotation 5 THR A 117
GLN A 122
ALA A  44
GLY A  19
ALA A 198
 None
 1.03A 5bxnV-1hpgA:
undetectable
5bxnW-1hpgA:
undetectable		 5bxnV-1hpgA:
21.95
5bxnW-1hpgA:
22.86
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
LYS H  33
ALA H  46
GLY H  47
ALA H  52
 CIB  H1001 (-1.9A)
CIB  H1001 (-4.0A)
CIB  H1001 ( 4.7A)
CIB  H1001 (-4.4A)
None
 1.29A 5bxnV-1j2qH:
29.9
5bxnW-1j2qH:
28.1		 5bxnV-1j2qH:
28.81
5bxnW-1j2qH:
26.76
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
LYS H  33
ALA H  46
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-4.5A)
CIB  H1001 (-4.0A)
CIB  H1001 ( 4.7A)
CIB  H1001 (-4.4A)
 0.36A 5bxnV-1j2qH:
29.9
5bxnW-1j2qH:
28.1		 5bxnV-1j2qH:
28.81
5bxnW-1j2qH:
26.76
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.
1m4y ATP-DEPENDENT
PROTEASE HSLV

(Thermotoga
maritima) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  33
ALA A  47
GLY A  48
 None
 0.92A 5bxnV-1m4yA:
21.1
5bxnW-1m4yA:
19.4		 5bxnV-1m4yA:
22.92
5bxnW-1m4yA:
23.88
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.
1n0w DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51) 		5 THR A 298
ALA A 256
GLY A 120
THR A 119
ALA A 262
 None
 1.33A 5bxnV-1n0wA:
undetectable
5bxnW-1n0wA:
undetectable		 5bxnV-1n0wA:
24.81
5bxnW-1n0wA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT
GLYCEROL DEHYDRATASE
REACTIVASE BETA
SUBUNIT

(Klebsiella
pneumoniae) 		PF02288
(Dehydratase_MU)
PF08841
(DDR) 		5 SER B 114
ALA B 104
GLY B 105
ALA B 102
ASP A 168
 None
 1.33A 5bxnV-1nbwB:
undetectable
5bxnW-1nbwB:
undetectable		 5bxnV-1nbwB:
21.08
5bxnW-1nbwB:
18.54
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.
1oh2 SUCROSE SPECIFIC
PORIN

(Salmonella
enterica) 		PF02264
(LamB) 		5 THR Q 376
GLN Q 373
ALA Q 107
GLY Q 106
ALA Q 101
 None
 1.25A 5bxnV-1oh2Q:
undetectable
5bxnW-1oh2Q:
undetectable		 5bxnV-1oh2Q:
20.67
5bxnW-1oh2Q:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 THR A 215
ALA A 218
GLY A 219
ALA A 223
ASP A 135
 None
None
None
CA  A 601 ( 4.9A)
CA  A 601 (-3.3A)
 1.37A 5bxnV-1ot5A:
undetectable
5bxnW-1ot5A:
undetectable		 5bxnV-1ot5A:
19.42
5bxnW-1ot5A:
17.83
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.
1p90 HYPOTHETICAL PROTEIN

(Azotobacter
vinelandii) 		PF02579
(Nitro_FeMo-Co) 		5 GLN A 164
ALA A 111
ALA A 109
ASP A 165
CYH A 166
 None
 1.34A 5bxnV-1p90A:
undetectable
5bxnW-1p90A:
undetectable		 5bxnV-1p90A:
20.25
5bxnW-1p90A:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H   1
LYS H  33
ALA H  46
GLY H  47
ALA H  52
 None
 1.31A 5bxnV-1q5qH:
26.0
5bxnW-1q5qH:
24.6		 5bxnV-1q5qH:
26.21
5bxnW-1q5qH:
26.64
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		8 THR H   1
THR H  21
GLN H  22
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.71A 5bxnV-1q5qH:
26.0
5bxnW-1q5qH:
24.6		 5bxnV-1q5qH:
26.21
5bxnW-1q5qH:
26.64
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H  21
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.31A 5bxnV-1q5rH:
24.0
5bxnW-1q5rH:
23.4		 5bxnV-1q5rH:
26.61
5bxnW-1q5rH:
23.33
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H  21
GLN H  22
ALA H  46
GLY H  47
ALA H  49
 None
 0.80A 5bxnV-1q5rH:
24.0
5bxnW-1q5rH:
23.4		 5bxnV-1q5rH:
26.61
5bxnW-1q5rH:
23.33
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 SER A 321
THR A 320
ALA A 326
GLY A 325
THR A 324
 None
AMP  A 720 ( 4.8A)
None
None
None
 1.33A 5bxnV-1ry2A:
undetectable
5bxnW-1ry2A:
undetectable		 5bxnV-1ry2A:
16.16
5bxnW-1ry2A:
15.22
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.
1s0u TRANSLATION
INITIATION FACTOR 2
GAMMA SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 SER A  52
THR A  51
GLY A  59
THR A  58
ALA A  56
 None
 1.23A 5bxnV-1s0uA:
undetectable
5bxnW-1s0uA:
undetectable		 5bxnV-1s0uA:
19.81
5bxnW-1s0uA:
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.
1sj8 TALIN 1

(Mus musculus) 		PF09141
(Talin_middle) 		5 THR A 561
GLY A 553
THR A 554
ALA A 555
CYH A 719
 None
 1.20A 5bxnV-1sj8A:
undetectable
5bxnW-1sj8A:
undetectable		 5bxnV-1sj8A:
22.36
5bxnW-1sj8A:
20.85
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.
1thm THERMITASE

(Thermoactinomyces
vulgaris) 		PF00082
(Peptidase_S8) 		5 THR A  73
ALA A  76
GLY A  77
ALA A  81
ASP A   5
 None
None
None
None
CA  A 301 ( 3.3A)
 1.35A 5bxnV-1thmA:
undetectable
5bxnW-1thmA:
undetectable		 5bxnV-1thmA:
24.14
5bxnW-1thmA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp8 RECA PROTEIN

(Deinococcus
radiodurans) 		PF00154
(RecA) 		5 THR A  86
ALA A  93
GLY A 120
ALA A 116
ASP A 112
 AGS  A 400 (-3.9A)
None
None
None
AGS  A 400 (-3.6A)
 1.34A 5bxnV-1xp8A:
undetectable
5bxnW-1xp8A:
undetectable		 5bxnV-1xp8A:
19.84
5bxnW-1xp8A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfc 2-(R)-HYDROXYPROPYL-
COM DEHYDROGENASE

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 THR A 193
GLN A 194
GLY A 216
THR A 217
ALA A 218
 NAD  A1251 (-3.3A)
None
None
None
None
 1.36A 5bxnV-2cfcA:
undetectable
5bxnW-2cfcA:
undetectable		 5bxnV-2cfcA:
25.09
5bxnW-2cfcA:
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 THR B 509
THR B 479
ALA B 567
GLY B 566
ALA A  52
 None
 1.10A 5bxnV-2e0xB:
undetectable
5bxnW-2e0xB:
3.9		 5bxnV-2e0xB:
23.17
5bxnW-2e0xB:
22.17
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.
2e54 ACETYLORNITHINE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00202
(Aminotran_3) 		5 THR A  95
GLN A 139
GLY A 132
THR A 135
ALA A 136
 PLP  A1001 (-3.7A)
None
None
None
None
 1.37A 5bxnV-2e54A:
undetectable
5bxnW-2e54A:
undetectable		 5bxnV-2e54A:
22.08
5bxnW-2e54A:
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
LYS H 333
ALA H 346
GLY H 347
ALA H 352
 None
 1.13A 5bxnV-2fhgH:
25.2
5bxnW-2fhgH:
24.1		 5bxnV-2fhgH:
26.77
5bxnW-2fhgH:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 9 THR H 301
SER H 320
THR H 321
GLN H 322
LYS H 333
ALA H 346
GLY H 347
THR H 348
ALA H 349
 None
 0.50A 5bxnV-2fhgH:
25.2
5bxnW-2fhgH:
24.1		 5bxnV-2fhgH:
26.77
5bxnW-2fhgH:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g8g CAPSID

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		5 SER A 441
THR A 442
ALA A 450
GLY A 451
THR A 452
 None
 1.18A 5bxnV-2g8gA:
undetectable
5bxnW-2g8gA:
undetectable		 5bxnV-2g8gA:
17.66
5bxnW-2g8gA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h8o GERANYLTRANSTRANSFER
ASE

(Agrobacterium
fabrum) 		PF00348
(polyprenyl_synt) 		5 THR A 216
ALA A 224
GLY A 223
THR A 222
ASP A 201
 None
 1.31A 5bxnV-2h8oA:
undetectable
5bxnW-2h8oA:
undetectable		 5bxnV-2h8oA:
20.12
5bxnW-2h8oA:
21.87
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.
2iqt FRUCTOSE-BISPHOSPHAT
E ALDOLASE CLASS 1

(Porphyromonas
gingivalis) 		PF00274
(Glycolytic) 		5 THR A  87
THR A  55
GLN A  52
GLY A  80
ASP A  48
 None
 1.35A 5bxnV-2iqtA:
undetectable
5bxnW-2iqtA:
undetectable		 5bxnV-2iqtA:
20.47
5bxnW-2iqtA:
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.
2rkv TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E

(Fusarium
graminearum) 		PF02458
(Transferase) 		5 GLN A 211
ALA A 218
GLY A 219
ALA A 369
CYH A 290
 None
 1.09A 5bxnV-2rkvA:
undetectable
5bxnW-2rkvA:
undetectable		 5bxnV-2rkvA:
20.53
5bxnW-2rkvA:
17.66
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.
2w1j PUTATIVE SORTASE

(Streptococcus
pneumoniae) 		PF04203
(Sortase) 		5 GLN A 106
ALA A  70
GLY A  99
THR A 100
ALA A 101
 None
 1.32A 5bxnV-2w1jA:
undetectable
5bxnW-2w1jA:
undetectable		 5bxnV-2w1jA:
22.18
5bxnW-2w1jA:
16.97
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.
2w1j PUTATIVE SORTASE

(Streptococcus
pneumoniae) 		PF04203
(Sortase) 		5 GLN A 106
ALA A  98
GLY A  99
THR A 100
ALA A 101
 None
 1.25A 5bxnV-2w1jA:
undetectable
5bxnW-2w1jA:
undetectable		 5bxnV-2w1jA:
22.18
5bxnW-2w1jA:
16.97
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.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A  14
ALA A 343
GLY A 342
ALA A 338
ASP A 327
 FAD  A1487 (-3.5A)
None
None
FAD  A1487 ( 3.8A)
FAD  A1487 (-2.6A)
 1.24A 5bxnV-2x50A:
undetectable
5bxnW-2x50A:
undetectable		 5bxnV-2x50A:
19.08
5bxnW-2x50A:
17.05
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 THR B 158
GLN B 214
GLY B 154
THR B 155
ALA B 150
 None
 1.10A 5bxnV-2xdqB:
undetectable
5bxnW-2xdqB:
undetectable		 5bxnV-2xdqB:
18.18
5bxnW-2xdqB:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 5 THR C  44
ALA C  11
GLY C  10
THR C   8
ALA C  32
 None
NAD  C4300 ( 4.0A)
None
None
None
 1.24A 5bxnV-3a28C:
undetectable
5bxnW-3a28C:
undetectable		 5bxnV-3a28C:
21.91
5bxnW-3a28C:
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 THR A 322
THR A 435
GLN A 436
ALA A 400
GLY A 399
 None
 1.25A 5bxnV-3a9sA:
undetectable
5bxnW-3a9sA:
undetectable		 5bxnV-3a9sA:
18.06
5bxnW-3a9sA:
15.91
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.
3alr NANOS PROTEIN

(Danio rerio) 		PF05741
(zf-nanos) 		5 ALA A 135
GLY A 134
THR A 133
ALA A 132
CYH A 130
 None
None
None
ZN  A 602 ( 4.7A)
ZN  A 602 (-2.3A)
 1.15A 5bxnV-3alrA:
undetectable
5bxnW-3alrA:
undetectable		 5bxnV-3alrA:
19.30
5bxnW-3alrA:
15.94
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.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A  74
ALA A  81
GLY A 108
ALA A 104
ASP A 100
 ADP  A 502 (-4.0A)
None
None
None
ADP  A 502 (-4.4A)
 1.34A 5bxnV-3cmtA:
undetectable
5bxnW-3cmtA:
undetectable		 5bxnV-3cmtA:
9.61
5bxnW-3cmtA:
8.27
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.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A1074
ALA A1081
GLY A1108
ALA A1104
ASP A1100
 ADP  A1502 (-3.9A)
None
None
None
ADP  A1502 ( 4.7A)
 1.34A 5bxnV-3cmtA:
undetectable
5bxnW-3cmtA:
undetectable		 5bxnV-3cmtA:
9.61
5bxnW-3cmtA:
8.27
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.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A2074
ALA A2081
GLY A2108
ALA A2104
ASP A2100
 ADP  A2502 (-3.8A)
None
None
None
ADP  A2502 (-4.6A)
 1.34A 5bxnV-3cmtA:
undetectable
5bxnW-3cmtA:
undetectable		 5bxnV-3cmtA:
9.61
5bxnW-3cmtA:
8.27
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.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A3074
ALA A3081
GLY A3108
ALA A3104
ASP A3100
 ADP  A3502 (-3.7A)
None
None
None
ADP  A3502 ( 4.8A)
 1.34A 5bxnV-3cmtA:
undetectable
5bxnW-3cmtA:
undetectable		 5bxnV-3cmtA:
9.61
5bxnW-3cmtA:
8.27
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.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A4074
ALA A4081
GLY A4108
ALA A4104
ASP A4100
 ADP  A4502 (-3.8A)
None
None
None
ADP  A4502 ( 4.9A)
 1.34A 5bxnV-3cmtA:
undetectable
5bxnW-3cmtA:
undetectable		 5bxnV-3cmtA:
9.61
5bxnW-3cmtA:
8.27
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.
3g5s METHYLENETETRAHYDROF
OLATE--TRNA-(URACIL-
5-)-METHYLTRANSFERAS
E TRMFO

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 THR A  19
SER A  76
GLY A 350
THR A 349
ALA A 348
 None
 1.22A 5bxnV-3g5sA:
undetectable
5bxnW-3g5sA:
undetectable		 5bxnV-3g5sA:
19.73
5bxnW-3g5sA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		5 SER A 168
ALA A 227
GLY A 228
ALA A 151
ASP A 231
 None
 1.29A 5bxnV-3h6eA:
undetectable
5bxnW-3h6eA:
undetectable		 5bxnV-3h6eA:
20.84
5bxnW-3h6eA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 SER A 147
THR A 146
ALA A 295
GLY A 296
CYH A 173
 None
PR8  A 601 (-4.0A)
None
PR8  A 601 (-3.4A)
None
 1.07A 5bxnV-3ialA:
undetectable
5bxnW-3ialA:
undetectable		 5bxnV-3ialA:
20.04
5bxnW-3ialA:
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		5 THR A  40
THR A  49
GLY A  42
ALA A  44
CYH A   8
 None
 1.36A 5bxnV-3in1A:
undetectable
5bxnW-3in1A:
undetectable		 5bxnV-3in1A:
22.29
5bxnW-3in1A:
22.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 THR H   1
LYS H  33
ALA H  46
GLY H  47
ALA H  52
 None
 1.30A 5bxnV-3jtlH:
29.1
5bxnW-3jtlH:
27.5		 5bxnV-3jtlH:
31.03
5bxnW-3jtlH:
25.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
LYS H  33
ALA H  46
GLY H  47
 None
 0.30A 5bxnV-3jtlH:
29.1
5bxnW-3jtlH:
27.5		 5bxnV-3jtlH:
31.03
5bxnW-3jtlH:
25.81
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 SER A 101
ALA A 126
GLY A 127
THR A 128
ALA A 129
 None
 0.87A 5bxnV-3ktdA:
undetectable
5bxnW-3ktdA:
undetectable		 5bxnV-3ktdA:
23.96
5bxnW-3ktdA:
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.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		5 SER A 277
ALA A 109
GLY A 308
THR A 307
ASP A 260
 None
 1.32A 5bxnV-3lm6A:
undetectable
5bxnW-3lm6A:
undetectable		 5bxnV-3lm6A:
22.19
5bxnW-3lm6A:
20.37
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
THR N  21
LYS N  33
GLY N  47
ALA N  49
 None
 0.54A 5bxnV-3mg6N:
29.6
5bxnW-3mg6N:
27.6		 5bxnV-3mg6N:
29.49
5bxnW-3mg6N:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 THR A 134
ALA A 402
GLY A 401
THR A 195
ALA A 205
 None
 1.12A 5bxnV-3qfhA:
undetectable
5bxnW-3qfhA:
undetectable		 5bxnV-3qfhA:
19.42
5bxnW-3qfhA:
18.16
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.
3qvq PHOSPHODIESTERASE
OLEI02445

(Oleispira
antarctica) 		PF03009
(GDPD) 		5 SER A 236
THR A 216
ALA A 233
ALA A 223
ASP A 219
 None
 1.35A 5bxnV-3qvqA:
undetectable
5bxnW-3qvqA:
undetectable		 5bxnV-3qvqA:
24.54
5bxnW-3qvqA:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
THR H  21
LYS H  33
ALA H  46
GLY H  47
ALA H  49
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.5A)
04C  H 301 ( 4.3A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
 0.54A 5bxnV-3unfH:
35.4
5bxnW-3unfH:
28.7		 5bxnV-3unfH:
46.35
5bxnW-3unfH:
23.83
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.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 THR A 131
ALA A 149
GLY A 150
THR A 151
ASP A 153
 None
 1.18A 5bxnV-3v76A:
undetectable
5bxnW-3v76A:
undetectable		 5bxnV-3v76A:
21.12
5bxnW-3v76A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
LYS L  33
ALA L  46
GLY L  47
ALA L  49
 None
 0.41A 5bxnV-3wxrL:
28.7
5bxnW-3wxrL:
25.5		 5bxnV-3wxrL:
28.87
5bxnW-3wxrL:
22.60
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 THR A 350
ALA A 311
GLY A 358
THR A 356
ALA A 355
 None
 1.25A 5bxnV-4dzhA:
undetectable
5bxnW-4dzhA:
undetectable		 5bxnV-4dzhA:
20.59
5bxnW-4dzhA:
20.54
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.
4ewj ENOLASE 2

(Streptococcus
suis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 THR A  64
GLN A  65
ALA A 108
GLY A 107
ALA A 110
 None
 1.30A 5bxnV-4ewjA:
undetectable
5bxnW-4ewjA:
undetectable		 5bxnV-4ewjA:
18.57
5bxnW-4ewjA:
19.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  33
ALA A  47
GLY A  48
 None
 0.77A 5bxnV-4g4eA:
22.0
5bxnW-4g4eA:
20.2		 5bxnV-4g4eA:
31.46
5bxnW-4g4eA:
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.
4h0m C-PHYCOCYANIN ALPHA
CHAIN
C-PHYCOCYANIN BETA
CHAIN

(Synechococcus
elongatus) 		PF00502
(Phycobilisome) 		5 THR B   6
GLN A  33
GLY A 105
THR A 104
ALA A  98
 None
 1.17A 5bxnV-4h0mB:
undetectable
5bxnW-4h0mB:
undetectable		 5bxnV-4h0mB:
22.09
5bxnW-4h0mB:
20.55
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.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  34
ALA A  47
GLY A  48
 None
 0.72A 5bxnV-4ho7A:
21.3
5bxnW-4ho7A:
20.4		 5bxnV-4ho7A:
23.27
5bxnW-4ho7A:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ius GCN5-RELATED
N-ACETYLTRANSFERASE

(Kribbella
flavida) 		PF00583
(Acetyltransf_1) 		5 THR A 204
ALA A 138
GLY A 189
THR A 190
ALA A 171
 None
None
None
MLI  A 501 (-3.4A)
None
 0.97A 5bxnV-4iusA:
undetectable
5bxnW-4iusA:
undetectable		 5bxnV-4iusA:
20.54
5bxnW-4iusA:
20.99
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 SER A 690
ALA A 538
GLY A 539
THR A 542
ASP A 600
 None
SO4  A1009 ( 4.5A)
SO4  A1009 (-3.3A)
None
None
 1.32A 5bxnV-4k6mA:
undetectable
5bxnW-4k6mA:
undetectable		 5bxnV-4k6mA:
13.31
5bxnW-4k6mA:
13.94
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.
4ler PUTATIVE OUTER
MEMBRANE PROTEIN,
PROBABLY INVOLVED IN
NUTRIENT BINDING

(Bacteroides
vulgatus) 		PF12771
(SusD-like_2) 		5 SER A 321
THR A 281
GLN A 282
ALA A 315
GLY A 318
 None
 1.21A 5bxnV-4lerA:
undetectable
5bxnW-4lerA:
undetectable		 5bxnV-4lerA:
21.15
5bxnW-4lerA:
18.51
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 SER A 273
THR A 275
GLY A 177
THR A 236
ASP A 301
 None
None
None
PQQ  A 602 (-3.1A)
CE  A 601 ( 2.3A)
 1.28A 5bxnV-4maeA:
undetectable
5bxnW-4maeA:
undetectable		 5bxnV-4maeA:
16.81
5bxnW-4maeA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4moz FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Slackia
heliotrinireducens) 		PF01791
(DeoC) 		5 SER A 222
GLN A 254
ALA A 227
GLY A 263
CYH A 240
 None
 1.30A 5bxnV-4mozA:
undetectable
5bxnW-4mozA:
undetectable		 5bxnV-4mozA:
23.10
5bxnW-4mozA:
22.86
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.
4pt2 ENCAPSULIN PROTEIN

(Myxococcus
xanthus) 		no annotation 5 THR P  23
GLN P  26
ALA P 113
GLY P 116
ALA P 118
 None
 1.24A 5bxnV-4pt2P:
undetectable
5bxnW-4pt2P:
undetectable		 5bxnV-4pt2P:
22.62
5bxnW-4pt2P:
22.97
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.
4pwo DSBA

(Corynebacterium
diphtheriae) 		PF13462
(Thioredoxin_4) 		5 SER A 282
THR A 283
ALA A 114
GLY A  63
THR A  64
 None
 1.35A 5bxnV-4pwoA:
undetectable
5bxnW-4pwoA:
undetectable		 5bxnV-4pwoA:
21.35
5bxnW-4pwoA:
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.
4qhr ALANINE RACEMASE

(Acinetobacter
baumannii) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 THR A 312
THR A 318
GLN A 319
GLY A 291
ALA A 288
 None
 1.21A 5bxnV-4qhrA:
undetectable
5bxnW-4qhrA:
undetectable		 5bxnV-4qhrA:
22.28
5bxnW-4qhrA:
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 THR A 466
ALA A 439
GLY A 440
THR A 441
ASP A 622
 None
 1.23A 5bxnV-4qmeA:
undetectable
5bxnW-4qmeA:
undetectable		 5bxnV-4qmeA:
14.50
5bxnW-4qmeA:
12.69
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.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
THR K  21
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.52A 5bxnV-4qv9K:
29.1
5bxnW-4qv9K:
25.7		 5bxnV-4qv9K:
28.87
5bxnW-4qv9K:
27.19
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.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		5 GLN A 257
ALA A  77
GLY A  74
THR A  72
ALA A 251
 None
 1.24A 5bxnV-4u0tA:
undetectable
5bxnW-4u0tA:
undetectable		 5bxnV-4u0tA:
19.50
5bxnW-4u0tA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ys6 PUTATIVE
SOLUTE-BINDING
COMPONENT OF ABC
TRANSPORTER

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 THR A 248
SER A 224
GLY A 128
THR A 125
ALA A 165
 None
 1.32A 5bxnV-4ys6A:
undetectable
5bxnW-4ys6A:
undetectable		 5bxnV-4ys6A:
21.15
5bxnW-4ys6A:
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.
4zg5 5'-NUCLEOTIDASE SURE

(Brucella
abortus) 		no annotation 5 GLN D  39
ALA D  17
GLY D  15
ALA D  13
ASP D  38
 None
None
None
None
MG  D 301 ( 4.7A)
 1.35A 5bxnV-4zg5D:
undetectable
5bxnW-4zg5D:
undetectable		 5bxnV-4zg5D:
26.26
5bxnW-4zg5D:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		5 THR A 152
THR A  95
ALA A 145
GLY A 101
THR A 100
 None
None
CL  A 608 ( 3.9A)
None
None
 1.33A 5bxnV-5cxpA:
undetectable
5bxnW-5cxpA:
undetectable		 5bxnV-5cxpA:
21.19
5bxnW-5cxpA:
18.18
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A 277
ALA A 369
GLY A 370
ASP A  99
CYH A  95
 None
None
ADP  A 501 (-3.3A)
None
None
 1.34A 5bxnV-5dmhA:
undetectable
5bxnW-5dmhA:
undetectable		 5bxnV-5dmhA:
22.27
5bxnW-5dmhA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A  37
THR A  36
ALA A 258
GLY A 259
THR A 260
 FAD  A 601 (-4.4A)
FAD  A 601 (-3.0A)
FAD  A 601 (-3.5A)
FAD  A 601 ( 3.8A)
None
 1.27A 5bxnV-5eb5A:
undetectable
5bxnW-5eb5A:
undetectable		 5bxnV-5eb5A:
18.15
5bxnW-5eb5A:
17.50
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.
5ewq AMIDASE

(Bacillus
anthracis) 		PF01425
(Amidase) 		5 GLN A 258
ALA A 189
GLY A 230
THR A 233
ALA A 232
 None
 1.35A 5bxnV-5ewqA:
undetectable
5bxnW-5ewqA:
undetectable		 5bxnV-5ewqA:
19.26
5bxnW-5ewqA:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		9 THR H   1
SER H  20
THR H  21
GLN H  22
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.64A 5bxnV-5fg9H:
36.3
5bxnW-5fg9H:
26.2		 5bxnV-5fg9H:
97.88
5bxnW-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 LYS I  33
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 1.04A 5bxnV-5fmgI:
30.2
5bxnW-5fmgI:
26.7		 5bxnV-5fmgI:
48.51
5bxnW-5fmgI:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 THR I   1
THR I  21
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
None
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 0.90A 5bxnV-5fmgI:
30.2
5bxnW-5fmgI:
26.7		 5bxnV-5fmgI:
48.51
5bxnW-5fmgI:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ivl DEAD-BOX
ATP-DEPENDENT RNA
HELICASE CSHA

(Geobacillus
stearothermophilus) 		no annotation 5 THR B  26
THR B  32
GLY B  51
THR B  53
ALA B  54
 None
None
SO4  B 502 (-3.4A)
SO4  B 502 (-3.6A)
None
 1.35A 5bxnV-5ivlB:
undetectable
5bxnW-5ivlB:
undetectable		 5bxnV-5ivlB:
20.60
5bxnW-5ivlB:
18.69
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.
5jp6 PUTATIVE
POLYSACCHARIDE
DEACETYLASE

(Bdellovibrio
bacteriovorus) 		PF01522
(Polysacc_deac_1) 		5 ALA A 264
GLY A 204
THR A 203
ALA A 202
ASP A 336
 None
 1.18A 5bxnV-5jp6A:
undetectable
5bxnW-5jp6A:
undetectable		 5bxnV-5jp6A:
23.31
5bxnW-5jp6A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jrj PROTEIN RECA

(Herbaspirillum
seropedicae) 		PF00154
(RecA) 		5 THR A  81
ALA A  88
GLY A 115
ALA A 111
ASP A 107
 ADP  A 401 ( 3.6A)
None
None
None
ATP  A 402 ( 3.4A)
 1.35A 5bxnV-5jrjA:
undetectable
5bxnW-5jrjA:
undetectable		 5bxnV-5jrjA:
21.31
5bxnW-5jrjA:
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.
5k1s OXIDOREDUCTASE,
ZINC-BINDING
DEHYDROGENASE FAMILY

(Myxococcus
xanthus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 160
ALA A 300
GLY A 152
THR A 153
ALA A 154
 None
 1.08A 5bxnV-5k1sA:
undetectable
5bxnW-5k1sA:
undetectable		 5bxnV-5k1sA:
20.87
5bxnW-5k1sA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.40A 5bxnV-5l5wK:
29.1
5bxnW-5l5wK:
25.4		 5bxnV-5l5wK:
29.18
5bxnW-5l5wK:
23.87
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.
5lcn UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF12146
(Hydrolase_4) 		5 LYS A 186
ALA A 182
GLY A 181
THR A 180
ASP A 233
 None
 1.29A 5bxnV-5lcnA:
undetectable
5bxnW-5lcnA:
undetectable		 5bxnV-5lcnA:
20.35
5bxnW-5lcnA:
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.
5lir SIGMA CROSS-REACTING
PROTEIN 27A
(SCRP-27A)

(Salmonella
enterica) 		PF01965
(DJ-1_PfpI) 		5 THR A 192
GLN A 199
GLY A 207
ALA A 204
ASP A 200
 None
 1.29A 5bxnV-5lirA:
undetectable
5bxnW-5lirA:
undetectable		 5bxnV-5lirA:
21.03
5bxnW-5lirA:
24.70
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		5 THR A  53
THR A  18
ALA A  10
GLY A  11
ALA A  13
 None
 1.36A 5bxnV-5n8oA:
undetectable
5bxnW-5n8oA:
undetectable		 5bxnV-5n8oA:
9.30
5bxnW-5n8oA:
8.14
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.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 THR R   1
LYS R  33
ALA R  46
GLY R  47
ALA R  49
 None
 0.83A 5bxnV-5t0gR:
26.9
5bxnW-5t0gR:
24.3		 5bxnV-5t0gR:
27.90
5bxnW-5t0gR:
23.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR O   1
LYS O  33
ALA O  46
GLY O  47
THR O  48
ALA O  49
 None
 0.82A 5bxnV-5t0hO:
29.8
5bxnW-5t0hO:
26.3		 5bxnV-5t0hO:
55.74
5bxnW-5t0hO:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		5 SER A 196
ALA A 215
GLY A 205
THR A 206
ALA A 207
 None
 1.17A 5bxnV-5tvgA:
undetectable
5bxnW-5tvgA:
undetectable		 5bxnV-5tvgA:
20.75
5bxnW-5tvgA:
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 THR R   1
THR R  21
LYS R  33
GLY R  47
ALA R  49
 None
 0.69A 5bxnV-5vfrR:
27.6
5bxnW-5vfrR:
25.1		 5bxnV-5vfrR:
undetectable
5bxnW-5vfrR:
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.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		5 THR A 342
ALA A  33
GLY A 364
THR A 365
ALA A 367
 None
 1.34A 5bxnV-5vmbA:
undetectable
5bxnW-5vmbA:
undetectable		 5bxnV-5vmbA:
21.53
5bxnW-5vmbA:
21.33
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.
5wu3 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE

(Homo sapiens) 		PF03828
(PAP_assoc) 		5 SER A 583
GLN A 578
ALA A 156
ALA A 154
ASP A 588
 None
 1.34A 5bxnV-5wu3A:
undetectable
5bxnW-5wu3A:
undetectable		 5bxnV-5wu3A:
18.12
5bxnW-5wu3A:
17.13
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 5 THR A  79
SER A  89
ALA A 117
GLY A 450
ASP A 390
 None
 1.35A 5bxnV-5ykdA:
undetectable
5bxnW-5ykdA:
undetectable		 5bxnV-5ykdA:
15.02
5bxnW-5ykdA:
17.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 6 THR B   1
THR B  21
LYS B  33
ALA B  46
GLY B  47
ALA B  49
 None
 0.72A 5bxnV-6avoB:
22.2
5bxnW-6avoB:
20.5		 5bxnV-6avoB:
43.40
5bxnW-6avoB:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 SER A  16
THR A  15
ALA A  67
GLY A  68
ALA A  50
 None
 1.18A 5bxnV-6c62A:
undetectable
5bxnW-6c62A:
undetectable		 5bxnV-6c62A:
17.78
5bxnW-6c62A:
17.65
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 THR A 176
GLN A 164
GLY A 231
THR A 228
ALA A 227
 None
 1.19A 5bxnV-6frvA:
undetectable
5bxnW-6frvA:
undetectable		 5bxnV-6frvA:
15.98
5bxnW-6frvA:
18.46