SIMILAR PATTERNS OF AMINO ACIDS FOR 6HWD_K_BO2K301_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6w SHORT CHAIN
3-HYDROXYACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 ALA A  37
THR A  36
ALA A  35
ALA A  13
GLY A  55
 None
 0.91A 6hwdK-1e6wA:
undetectable
6hwdL-1e6wA:
undetectable		 6hwdK-1e6wA:
16.73
6hwdL-1e6wA:
26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i8a ENDO-1,4-BETA-XYLANA
SE A

(Thermotoga
maritima) 		PF06452
(CBM9_1) 		5 ALA A  39
THR A  40
ALA A  41
GLY A 125
GLY A 126
 None
 0.74A 6hwdK-1i8aA:
undetectable
6hwdL-1i8aA:
undetectable		 6hwdK-1i8aA:
19.76
6hwdL-1i8aA:
21.02
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.
1iiu PLASMA
RETINOL-BINDING
PROTEIN

(Gallus gallus) 		PF00061
(Lipocalin) 		5 ALA A  57
THR A  56
ALA A  55
ALA A  43
GLY A  92
 RTL  A 176 ( 3.8A)
None
RTL  A 176 ( 3.8A)
RTL  A 176 ( 4.1A)
None
 0.87A 6hwdK-1iiuA:
undetectable
6hwdL-1iiuA:
undetectable		 6hwdK-1iiuA:
18.97
6hwdL-1iiuA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.79A 6hwdK-1j2qH:
29.6
6hwdL-1j2qH:
25.0		 6hwdK-1j2qH:
21.05
6hwdL-1j2qH:
17.82
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		6 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.32A 6hwdK-1j2qH:
29.6
6hwdL-1j2qH:
25.0		 6hwdK-1j2qH:
21.05
6hwdL-1j2qH:
17.82
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.
1kj9 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE 2

(Escherichia
coli) 		PF02222
(ATP-grasp) 		5 ALA A 369
THR A 370
ALA A 371
ALA A 377
GLY A 345
 None
 0.91A 6hwdK-1kj9A:
undetectable
6hwdL-1kj9A:
undetectable		 6hwdK-1kj9A:
12.21
6hwdL-1kj9A:
15.33
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.
1pq5 TRYPSIN

(Fusarium
oxysporum) 		PF00089
(Trypsin) 		6 ALA A  54
THR A  53
ALA A 101
ALA A  55
GLY A 208
ALA A 226
 None
 1.29A 6hwdK-1pq5A:
undetectable
6hwdL-1pq5A:
undetectable		 6hwdK-1pq5A:
16.51
6hwdL-1pq5A:
14.73
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.
1pq5 TRYPSIN

(Fusarium
oxysporum) 		PF00089
(Trypsin) 		6 ALA A  54
THR A  53
ALA A 101
ALA A  55
GLY A 208
ALA A 226
 None
 1.41A 6hwdK-1pq5A:
undetectable
6hwdL-1pq5A:
undetectable		 6hwdK-1pq5A:
16.51
6hwdL-1pq5A:
14.73
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 None
 0.68A 6hwdK-1q5qH:
26.3
6hwdL-1q5qH:
22.7		 6hwdK-1q5qH:
18.06
6hwdL-1q5qH:
17.89
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		7 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.41A 6hwdK-1q5qH:
26.3
6hwdL-1q5qH:
22.7		 6hwdK-1q5qH:
18.06
6hwdL-1q5qH:
17.89
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
GLY H  47
ALA H  49
 None
 0.46A 6hwdK-1q5rH:
23.9
6hwdL-1q5rH:
22.5		 6hwdK-1q5rH:
17.47
6hwdL-1q5rH:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT

(Thauera
aromatica) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		6 THR B  54
ALA B 109
THR B  77
ALA B 108
GLY B  31
GLY B  33
 None
None
None
None
FAD  B1900 (-3.1A)
FAD  B1900 (-3.3A)
 1.43A 6hwdK-1sb3B:
undetectable
6hwdL-1sb3B:
undetectable		 6hwdK-1sb3B:
13.44
6hwdL-1sb3B:
14.02
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 168
THR A 169
ALA A 170
ALA A 241
GLY A 148
 None
 0.89A 6hwdK-1ulvA:
undetectable
6hwdL-1ulvA:
undetectable		 6hwdK-1ulvA:
6.14
6hwdL-1ulvA:
6.35
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 168
THR A 169
ALA A 170
ALA A 241
GLY A 148
 None
 0.92A 6hwdK-1ulvA:
undetectable
6hwdL-1ulvA:
undetectable		 6hwdK-1ulvA:
6.14
6hwdL-1ulvA:
6.35
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.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 ALA A  98
THR A  99
ALA A 100
ALA A 139
ALA A 132
 None
SAM  A 400 (-3.2A)
None
None
None
 0.92A 6hwdK-1v2xA:
undetectable
6hwdL-1v2xA:
undetectable		 6hwdK-1v2xA:
20.37
6hwdL-1v2xA:
16.38
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		5 ALA A 255
ALA A 250
ALA A 126
GLY A  27
GLY A  26
 None
 0.88A 6hwdK-1woqA:
undetectable
6hwdL-1woqA:
undetectable		 6hwdK-1woqA:
15.19
6hwdL-1woqA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eez ALANINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		6 THR A 179
ALA A 181
ALA A 135
ALA A 139
GLY A 175
ALA A 236
 None
 1.37A 6hwdK-2eezA:
undetectable
6hwdL-2eezA:
undetectable		 6hwdK-2eezA:
12.43
6hwdL-2eezA:
13.76
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
THR H 321
LYS H 333
GLY H 347
ALA H 349
 None
 0.46A 6hwdK-2fhgH:
25.8
6hwdL-2fhgH:
22.6		 6hwdK-2fhgH:
17.47
6hwdL-2fhgH:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		5 THR A  83
ALA A  82
GLY A  90
GLY A  89
ALA A  88
 None
 0.91A 6hwdK-2fvmA:
undetectable
6hwdL-2fvmA:
undetectable		 6hwdK-2fvmA:
9.39
6hwdL-2fvmA:
10.50
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.
2h9f HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF04303
(PrpF) 		5 ALA A 328
ALA A 346
GLY A 341
GLY A 340
ALA A 339
 None
GOL  A 404 (-4.4A)
None
None
None
 0.94A 6hwdK-2h9fA:
undetectable
6hwdL-2h9fA:
undetectable		 6hwdK-2h9fA:
12.36
6hwdL-2h9fA:
11.88
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.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 THR A 414
ALA A 434
ALA A 365
GLY A 417
GLY A 418
 None
 0.86A 6hwdK-2olsA:
undetectable
6hwdL-2olsA:
undetectable		 6hwdK-2olsA:
7.22
6hwdL-2olsA:
7.59
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.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		5 ALA A  19
ALA A  18
GLY A 101
GLY A 124
ASP A 260
 None
 0.86A 6hwdK-2pfkA:
undetectable
6hwdL-2pfkA:
undetectable		 6hwdK-2pfkA:
13.55
6hwdL-2pfkA:
12.81
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.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		5 ALA A  23
ALA A 282
ALA A 303
GLY A  16
GLY A  15
 None
None
None
FAD  A 348 ( 4.9A)
FAD  A 348 (-3.3A)
 0.92A 6hwdK-2q7vA:
undetectable
6hwdL-2q7vA:
undetectable		 6hwdK-2q7vA:
13.19
6hwdL-2q7vA:
12.00
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.
2r6h NADH:UBIQUINONE
OXIDOREDUCTASE, NA
TRANSLOCATING, F
SUBUNIT

(Porphyromonas
gingivalis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ALA A 291
ALA A 214
GLY A 286
GLY A 287
ALA A 288
 FAD  A   1 ( 3.9A)
None
None
None
FAD  A   1 ( 3.7A)
 0.80A 6hwdK-2r6hA:
undetectable
6hwdL-2r6hA:
undetectable		 6hwdK-2r6hA:
14.07
6hwdL-2r6hA:
14.18
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.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ALA A 294
ALA A 281
GLY A 289
GLY A 290
ASP A 254
 None
EDO  A 331 ( 3.7A)
None
None
None
 0.83A 6hwdK-2rbcA:
undetectable
6hwdL-2rbcA:
undetectable		 6hwdK-2rbcA:
12.54
6hwdL-2rbcA:
12.79
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.
2rqw BUD EMERGENCE
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00018
(SH3_1) 		5 THR A 175
ALA A 168
GLY A 202
GLY A 203
ASP A 172
 None
 0.95A 6hwdK-2rqwA:
undetectable
6hwdL-2rqwA:
undetectable		 6hwdK-2rqwA:
18.35
6hwdL-2rqwA:
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.
2wq9 RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ALA A  57
THR A  56
ALA A  55
ALA A  43
GLY A  92
 OLA  A1179 ( 3.7A)
None
OLA  A1179 (-3.5A)
OLA  A1179 ( 4.0A)
None
 0.86A 6hwdK-2wq9A:
undetectable
6hwdL-2wq9A:
undetectable		 6hwdK-2wq9A:
19.54
6hwdL-2wq9A:
20.47
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 THR A 183
ALA A 203
ALA A   9
GLY A 186
GLY A 187
 None
 0.92A 6hwdK-2wqdA:
undetectable
6hwdL-2wqdA:
undetectable		 6hwdK-2wqdA:
8.91
6hwdL-2wqdA:
7.97
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 ALA A 148
ALA A 152
GLY A 175
GLY A 174
ASP A 253
 None
None
None
PLP  A1446 (-3.5A)
PLP  A1446 (-2.8A)
 0.91A 6hwdK-2ykyA:
undetectable
6hwdL-2ykyA:
undetectable		 6hwdK-2ykyA:
11.42
6hwdL-2ykyA:
11.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 ALA A  22
ALA A 375
ALA A 394
GLY A  15
GLY A  14
 None
None
None
FAD  A 618 (-3.8A)
FAD  A 618 (-3.3A)
 0.84A 6hwdK-2zxhA:
undetectable
6hwdL-2zxhA:
undetectable		 6hwdK-2zxhA:
8.93
6hwdL-2zxhA:
7.84
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.
3a8u OMEGA-AMINO
ACID--PYRUVATE
AMINOTRANSFERASE

(Pseudomonas
putida) 		PF00202
(Aminotran_3) 		6 ALA X 341
THR X 291
ALA X 294
ALA X 337
GLY X  63
GLY X  65
 None
 1.36A 6hwdK-3a8uX:
undetectable
6hwdL-3a8uX:
undetectable		 6hwdK-3a8uX:
13.60
6hwdL-3a8uX:
11.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		5 ALA A 117
THR A 118
ALA A 119
GLY A  54
GLY A  84
 None
 0.88A 6hwdK-3aarA:
undetectable
6hwdL-3aarA:
undetectable		 6hwdK-3aarA:
16.94
6hwdL-3aarA:
12.61
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.
3c5w PP2A-SPECIFIC
METHYLESTERASE PME-1

(Homo sapiens) 		PF12697
(Abhydrolase_6) 		5 THR P 165
ALA P 166
GLY P 158
GLY P 159
ALA P 160
 None
 0.92A 6hwdK-3c5wP:
undetectable
6hwdL-3c5wP:
undetectable		 6hwdK-3c5wP:
15.49
6hwdL-3c5wP:
13.90
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.
3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I

(Bacillus
anthracis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  15
ALA A 280
ALA A 310
GLY A   8
GLY A   7
 None
None
None
None
FAD  A 446 (-3.1A)
 0.91A 6hwdK-3cgdA:
undetectable
6hwdL-3cgdA:
undetectable		 6hwdK-3cgdA:
11.83
6hwdL-3cgdA:
11.61
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.
3d1r FRUCTOSE-1,6-BISPHOS
PHATASE CLASS II
GLPX

(Escherichia
coli) 		PF03320
(FBPase_glpX) 		5 ALA A 234
ALA A 263
GLY A 209
GLY A 210
ALA A 211
 None
None
FBP  A3499 ( 4.0A)
FBP  A3499 (-3.7A)
None
 0.85A 6hwdK-3d1rA:
undetectable
6hwdL-3d1rA:
undetectable		 6hwdK-3d1rA:
13.08
6hwdL-3d1rA:
14.29
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 ALA A  21
ALA A 368
ALA A 387
GLY A  14
GLY A  13
 None
 0.94A 6hwdK-3g05A:
undetectable
6hwdL-3g05A:
undetectable		 6hwdK-3g05A:
10.53
6hwdL-3g05A:
9.24
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.
3kd9 COENZYME A DISULFIDE
REDUCTASE

(Pyrococcus
horikoshii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  18
ALA A 278
ALA A 308
GLY A  11
GLY A  10
 None
 0.88A 6hwdK-3kd9A:
undetectable
6hwdL-3kd9A:
undetectable		 6hwdK-3kd9A:
12.47
6hwdL-3kd9A:
9.13
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.
3kky SUPEROXIDE DISMUTASE
[MN]

(Deinococcus
radiodurans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 ALA A  38
ALA A  69
ALA A  41
GLY A  76
GLY A  75
 None
 0.84A 6hwdK-3kkyA:
undetectable
6hwdL-3kkyA:
undetectable		 6hwdK-3kkyA:
16.11
6hwdL-3kkyA:
17.73
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.
3lki FRUCTOKINASE

(Xylella
fastidiosa) 		PF00294
(PfkB) 		5 ALA A  99
THR A  98
ALA A 120
GLY A  44
GLY A  45
 None
 0.73A 6hwdK-3lkiA:
undetectable
6hwdL-3lkiA:
undetectable		 6hwdK-3lkiA:
13.03
6hwdL-3lkiA:
13.02
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 THR A 271
ALA A 234
ALA A 273
GLY A 289
ALA A 288
 None
 0.87A 6hwdK-3mduA:
undetectable
6hwdL-3mduA:
undetectable		 6hwdK-3mduA:
12.78
6hwdL-3mduA:
9.89
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 6 THR N   1
THR N  21
ALA N  27
LYS N  33
GLY N  47
ALA N  49
 None
 0.61A 6hwdK-3mg6N:
28.9
6hwdL-3mg6N:
25.4		 6hwdK-3mg6N:
20.33
6hwdL-3mg6N:
15.31
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.
3nwa ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA B 211
THR B 221
ALA B 222
ALA B 190
ASP B 188
 None
 0.91A 6hwdK-3nwaB:
undetectable
6hwdL-3nwaB:
undetectable		 6hwdK-3nwaB:
10.17
6hwdL-3nwaB:
7.75
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.
3u8v METAL-BINDING
PROTEIN SMBP

(Nitrosomonas
europaea) 		PF16785
(SMBP) 		5 ALA A  14
ALA A  33
ALA A  17
GLY A  55
ALA A  81
 None
 0.92A 6hwdK-3u8vA:
undetectable
6hwdL-3u8vA:
undetectable		 6hwdK-3u8vA:
18.95
6hwdL-3u8vA:
17.31
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
 0.52A 6hwdK-3unfH:
30.8
6hwdL-3unfH:
25.9		 6hwdK-3unfH:
19.47
6hwdL-3unfH:
13.39
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
ALA H 161
ALA H 133
GLY H  15
ALA H   4
 04C  H 301 (-2.5A)
None
None
None
None
 0.94A 6hwdK-3unfH:
30.8
6hwdL-3unfH:
25.9		 6hwdK-3unfH:
19.47
6hwdL-3unfH:
13.39
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.
3w94 ENTEROPEPTIDASE-1

(Oryzias latipes) 		PF00089
(Trypsin) 		6 ALA A 834
THR A 833
ALA A 889
ALA A 835
GLY A 995
ALA A1013
 None
 1.31A 6hwdK-3w94A:
undetectable
6hwdL-3w94A:
undetectable		 6hwdK-3w94A:
17.86
6hwdL-3w94A:
14.83
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.
3w94 ENTEROPEPTIDASE-1

(Oryzias latipes) 		PF00089
(Trypsin) 		6 ALA A 834
THR A 833
ALA A 889
ALA A 835
GLY A 995
ALA A1013
 None
 1.48A 6hwdK-3w94A:
undetectable
6hwdL-3w94A:
undetectable		 6hwdK-3w94A:
17.86
6hwdL-3w94A:
14.83
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.
3w94 ENTEROPEPTIDASE-1

(Oryzias latipes) 		PF00089
(Trypsin) 		5 ALA A1013
ALA A1011
GLY A 981
GLY A 980
ALA A 834
 None
 0.90A 6hwdK-3w94A:
undetectable
6hwdL-3w94A:
undetectable		 6hwdK-3w94A:
17.86
6hwdL-3w94A:
14.83
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 ALA A 695
GLY A 718
GLY A 717
ALA A 714
ASP A 688
 None
 0.82A 6hwdK-3wfaA:
undetectable
6hwdL-3wfaA:
undetectable		 6hwdK-3wfaA:
8.18
6hwdL-3wfaA:
8.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR L   1
ALA L  20
ALA L  22
ALA L  27
LYS L  33
GLY L  47
GLY L  48
ALA L  49
 None
 0.74A 6hwdK-3wxrL:
37.2
6hwdL-3wxrL:
23.4		 6hwdK-3wxrL:
100.00
6hwdL-3wxrL:
15.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		7 THR L   1
ALA L  20
THR L  21
ALA L  22
ALA L  27
LYS L  33
ALA L  49
 None
 0.59A 6hwdK-3wxrL:
37.2
6hwdL-3wxrL:
23.4		 6hwdK-3wxrL:
100.00
6hwdL-3wxrL:
15.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
ALA L  20
THR L  21
LYS L  33
GLY L  47
 None
 0.93A 6hwdK-3wxrL:
37.2
6hwdL-3wxrL:
23.4		 6hwdK-3wxrL:
100.00
6hwdL-3wxrL:
15.73
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.
4aoa BETA-PHENYLALANINE
AMINOTRANSFERASE

(Variovorax
paradoxus) 		PF00202
(Aminotran_3) 		5 ALA A 135
ALA A 139
GLY A 162
GLY A 161
ASP A 240
 None
None
None
IK2  A1435 (-3.6A)
IK2  A1435 (-2.8A)
 0.92A 6hwdK-4aoaA:
undetectable
6hwdL-4aoaA:
undetectable		 6hwdK-4aoaA:
10.96
6hwdL-4aoaA:
11.71
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ALA A  18
ALA A 360
ALA A 385
GLY A  11
GLY A  10
 None
None
None
FAD  A1392 ( 4.6A)
FAD  A1392 (-3.0A)
 0.89A 6hwdK-4cnkA:
undetectable
6hwdL-4cnkA:
undetectable		 6hwdK-4cnkA:
12.20
6hwdL-4cnkA:
11.72
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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		6 THR A   1
ALA A  20
THR A  21
LYS A  33
GLY A  48
GLY A  49
 None
 0.62A 6hwdK-4g4eA:
21.0
6hwdL-4g4eA:
17.7		 6hwdK-4g4eA:
22.09
6hwdL-4g4eA:
19.05
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.
4hac MEVALONATE KINASE

(Methanosarcina
mazei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		6 ALA A 280
ALA A 246
ALA A 249
GLY A 286
GLY A 285
ALA A 284
 None
 1.36A 6hwdK-4hacA:
undetectable
6hwdL-4hacA:
undetectable		 6hwdK-4hacA:
15.08
6hwdL-4hacA:
14.24
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.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
ALA A  28
LYS A  34
GLY A  48
 None
 0.67A 6hwdK-4ho7A:
21.0
6hwdL-4ho7A:
17.1		 6hwdK-4ho7A:
17.42
6hwdL-4ho7A:
21.79
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		5 ALA A 367
ALA A 365
GLY A 379
GLY A 300
ALA A 301
 None
 0.87A 6hwdK-4hvlA:
undetectable
6hwdL-4hvlA:
undetectable		 6hwdK-4hvlA:
12.78
6hwdL-4hvlA:
12.33
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.
4i34 ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLPX

(Escherichia
coli) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 THR A 313
ALA A 312
ALA A  84
GLY A 249
GLY A 248
 None
 0.94A 6hwdK-4i34A:
undetectable
6hwdL-4i34A:
undetectable		 6hwdK-4i34A:
13.30
6hwdL-4i34A:
18.70
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 THR A 283
ALA A 282
GLY A 196
GLY A 185
ALA A 184
 None
 0.87A 6hwdK-4iheA:
undetectable
6hwdL-4iheA:
undetectable		 6hwdK-4iheA:
12.20
6hwdL-4iheA:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH) 		6 ALA A 281
THR A 282
ALA A 326
ALA A 322
GLY A 254
GLY A 278
 None
 1.13A 6hwdK-4ix2A:
undetectable
6hwdL-4ix2A:
undetectable		 6hwdK-4ix2A:
15.36
6hwdL-4ix2A:
11.60
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.
4jhm MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A  52
ALA A  51
GLY A 275
GLY A 276
ALA A 271
 None
 0.66A 6hwdK-4jhmA:
undetectable
6hwdL-4jhmA:
undetectable		 6hwdK-4jhmA:
13.54
6hwdL-4jhmA:
11.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k5r OXYGENASE

(Streptomyces
argillaceus) 		PF01494
(FAD_binding_3) 		6 ALA A 124
ALA A 126
ALA A 121
GLY A  35
GLY A  34
ALA A  33
 None
 1.34A 6hwdK-4k5rA:
undetectable
6hwdL-4k5rA:
undetectable		 6hwdK-4k5rA:
10.14
6hwdL-4k5rA:
8.38
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.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 ALA A 130
THR A 129
ALA A 128
GLY A 152
ALA A 107
 None
 0.92A 6hwdK-4ldnA:
undetectable
6hwdL-4ldnA:
undetectable		 6hwdK-4ldnA:
16.73
6hwdL-4ldnA:
16.88
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.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ALA A 367
ALA A 365
GLY A 379
GLY A 300
ALA A 301
 None
 0.91A 6hwdK-4m1zA:
undetectable
6hwdL-4m1zA:
undetectable		 6hwdK-4m1zA:
11.97
6hwdL-4m1zA:
13.51
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F

(Vibrio cholerae) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ALA F 286
ALA F 215
GLY F 281
GLY F 282
ALA F 283
 FAD  F 502 ( 4.6A)
None
None
None
FAD  F 502 ( 4.0A)
 0.88A 6hwdK-4p6vF:
undetectable
6hwdL-4p6vF:
undetectable		 6hwdK-4p6vF:
11.30
6hwdL-4p6vF:
13.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		9 THR K   1
ALA K  20
THR K  21
ALA K  22
ALA K  27
LYS K  33
GLY K  47
GLY K  48
ALA K  49
 None
 0.60A 6hwdK-4qv9K:
37.9
6hwdL-4qv9K:
23.6		 6hwdK-4qv9K:
98.75
6hwdL-4qv9K:
17.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  20
THR K  21
ALA K  22
LYS K  33
GLY K  47
 None
 0.92A 6hwdK-4qv9K:
37.9
6hwdL-4qv9K:
23.6		 6hwdK-4qv9K:
98.75
6hwdL-4qv9K:
17.31
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.
4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01964
(ThiC_Rad_SAM) 		5 THR A 479
ALA A 476
ALA A 512
ALA A 516
GLY A 470
 None
 0.85A 6hwdK-4s28A:
undetectable
6hwdL-4s28A:
undetectable		 6hwdK-4s28A:
9.46
6hwdL-4s28A:
9.90
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.
4u9u NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F

(Vibrio cholerae) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ALA A 286
ALA A 215
GLY A 281
GLY A 282
ALA A 283
 FAD  A1501 ( 4.4A)
None
None
ACT  A1502 (-3.3A)
FAD  A1501 (-3.7A)
 0.87A 6hwdK-4u9uA:
undetectable
6hwdL-4u9uA:
undetectable		 6hwdK-4u9uA:
14.71
6hwdL-4u9uA:
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.
4yio SUPEROXIDE DISMUTASE

(Streptococcus
thermophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 ALA A  38
ALA A  69
ALA A  41
GLY A  76
GLY A  75
 None
 0.87A 6hwdK-4yioA:
undetectable
6hwdL-4yioA:
undetectable		 6hwdK-4yioA:
16.76
6hwdL-4yioA:
17.31
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.52A 6hwdK-5fg9H:
27.8
6hwdL-5fg9H:
23.5		 6hwdK-5fg9H:
21.25
6hwdL-5fg9H:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ALA I  49
 7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.76A 6hwdK-5fmgI:
28.0
6hwdL-5fmgI:
23.9		 6hwdK-5fmgI:
18.78
6hwdL-5fmgI:
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 THR I   1
ALA I  20
THR I  21
ALA I  27
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.58A 6hwdK-5fmgI:
28.0
6hwdL-5fmgI:
23.9		 6hwdK-5fmgI:
18.78
6hwdL-5fmgI:
17.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR L   1
ALA L  20
GLY L  47
GLY L  48
ALA L  49
 None
 0.53A 6hwdK-5fmgL:
28.5
6hwdL-5fmgL:
23.8		 6hwdK-5fmgL:
63.75
6hwdL-5fmgL:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR L   1
MET L  45
GLY L  47
GLY L  48
ALA L  49
 None
 0.69A 6hwdK-5fmgL:
28.5
6hwdL-5fmgL:
23.8		 6hwdK-5fmgL:
63.75
6hwdL-5fmgL:
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE
BETA3 PROTEASOME
SUBUNIT, PUTATIVE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF00227
(Proteasome)
PF00227
(Proteasome) 		6 ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ASP J 138
 7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
 1.08A 6hwdK-5fmgI:
28.0
6hwdL-5fmgI:
23.9		 6hwdK-5fmgI:
18.78
6hwdL-5fmgI:
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE
BETA3 PROTEASOME
SUBUNIT, PUTATIVE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF00227
(Proteasome)
PF00227
(Proteasome) 		6 THR I   1
ALA I  20
THR I  21
ALA I  27
GLY I  47
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
 0.94A 6hwdK-5fmgI:
28.0
6hwdL-5fmgI:
23.9		 6hwdK-5fmgI:
18.78
6hwdL-5fmgI:
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.
5jdo HAPTOGLOBIN-HAEMOGLO
BIN RECEPTOR

(Trypanosoma
congolense) 		PF16731
(GARP) 		5 ALA B 237
ALA B  91
ALA B 240
GLY B  60
GLY B  61
 None
 0.90A 6hwdK-5jdoB:
undetectable
6hwdL-5jdoB:
undetectable		 6hwdK-5jdoB:
17.77
6hwdL-5jdoB:
16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 6 ALA B  85
THR B  86
ALA B  89
ALA B 217
GLY B 254
ALA B 255
 None
 1.36A 6hwdK-5khnB:
undetectable
6hwdL-5khnB:
2.4		 6hwdK-5khnB:
6.42
6hwdL-5khnB:
6.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		9 THR K   1
ALA K  20
THR K  21
ALA K  22
ALA K  27
LYS K  33
GLY K  47
GLY K  48
ALA K  49
 None
 0.83A 6hwdK-5l5wK:
36.9
6hwdL-5l5wK:
23.8		 6hwdK-5l5wK:
78.75
6hwdL-5l5wK:
18.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		7 THR K   1
ALA K  20
ALA K  22
LYS K  33
MET K  45
GLY K  47
ALA K  49
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
None
7DX  K 301 (-4.2A)
7DX  K 301 ( 3.8A)
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
 0.60A 6hwdK-5m2bK:
37.3
6hwdL-5m2bK:
24.1		 6hwdK-5m2bK:
66.25
6hwdL-5m2bK:
17.22
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.
5nii THIOREDOXIN
REDUCTASE

(Desulfovibrio
vulgaris) 		no annotation 5 ALA A 277
ALA A 264
ALA A  14
GLY A 270
GLY A 269
 FAD  A 401 ( 3.7A)
None
FAD  A 401 (-3.3A)
NA  A 402 (-4.7A)
NA  A 402 (-4.1A)
 0.94A 6hwdK-5niiA:
undetectable
6hwdL-5niiA:
undetectable		 6hwdK-5niiA:
24.71
6hwdL-5niiA:
23.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		6 THR R   1
ALA R  20
ALA R  22
ALA R  27
LYS R  33
GLY R  47
 None
 0.94A 6hwdK-5t0gR:
31.8
6hwdL-5t0gR:
24.0		 6hwdK-5t0gR:
78.75
6hwdL-5t0gR:
16.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		7 THR R   1
ALA R  20
ALA R  22
LYS R  33
GLY R  47
GLY R  48
ALA R  49
 None
 1.00A 6hwdK-5t0gR:
31.8
6hwdL-5t0gR:
24.0		 6hwdK-5t0gR:
78.75
6hwdL-5t0gR:
16.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		6 THR R   1
ALA R  20
THR R  21
ALA R  22
ALA R  27
LYS R  33
 None
 1.00A 6hwdK-5t0gR:
31.8
6hwdL-5t0gR:
24.0		 6hwdK-5t0gR:
78.75
6hwdL-5t0gR:
16.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		6 THR R   1
ALA R  20
THR R  21
ALA R  22
LYS R  33
ALA R  49
 None
 1.08A 6hwdK-5t0gR:
31.8
6hwdL-5t0gR:
24.0		 6hwdK-5t0gR:
78.75
6hwdL-5t0gR:
16.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		6 THR R   1
ALA R  20
THR R  21
ALA R  22
LYS R  33
GLY R  47
 None
 1.22A 6hwdK-5t0gR:
31.8
6hwdL-5t0gR:
24.0		 6hwdK-5t0gR:
78.75
6hwdL-5t0gR:
16.53
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.
5ttk AMINE OXIDASE

(Pseudomonas
putida) 		PF01593
(Amino_oxidase) 		5 ALA A  68
ALA A 451
ALA A 473
GLY A  61
GLY A  60
 None
None
None
FAD  A 501 ( 4.5A)
FAD  A 501 (-3.1A)
 0.92A 6hwdK-5ttkA:
undetectable
6hwdL-5ttkA:
undetectable		 6hwdK-5ttkA:
9.96
6hwdL-5ttkA:
14.59
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 6 ALA R  20
THR R  21
ALA R  22
ALA R  27
LYS R  33
GLY R  48
 None
 0.84A 6hwdK-5vfrR:
32.7
6hwdL-5vfrR:
23.7		 6hwdK-5vfrR:
undetectable
6hwdL-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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 9 THR R   1
ALA R  20
THR R  21
ALA R  22
ALA R  27
LYS R  33
GLY R  47
GLY R  48
ALA R  49
 None
 0.66A 6hwdK-5vfrR:
32.7
6hwdL-5vfrR:
23.7		 6hwdK-5vfrR:
undetectable
6hwdL-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.
5vho 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT
10

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 ALA G 122
ALA G 113
GLY G 128
GLY G 129
ALA G 130
 None
 0.85A 6hwdK-5vhoG:
undetectable
6hwdL-5vhoG:
undetectable		 6hwdK-5vhoG:
17.53
6hwdL-5vhoG:
17.47
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.
5xuo POLYKETIDE SYNTHASE
PKS13

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 819
ALA A 822
GLY A 813
GLY A 812
ALA A 808
 None
 0.77A 6hwdK-5xuoA:
undetectable
6hwdL-5xuoA:
undetectable		 6hwdK-5xuoA:
19.77
6hwdL-5xuoA:
19.54
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 7 THR B   1
ALA B  20
THR B  21
ALA B  27
LYS B  33
GLY B  47
ALA B  49
 None
 0.70A 6hwdK-6avoB:
21.0
6hwdL-6avoB:
21.3		 6hwdK-6avoB:
32.50
6hwdL-6avoB:
22.50
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 193
THR B 160
ALA B 161
GLY B 171
GLY B 170
ASP B 166
 None
 1.47A 6hwdK-6avoB:
21.0
6hwdL-6avoB:
21.3		 6hwdK-6avoB:
32.50
6hwdL-6avoB:
22.50
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-8

(Homo sapiens) 		no annotation 7 THR C   1
ALA C  20
ALA C  22
LYS C  33
MET C  45
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 ( 4.7A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 0.64A 6hwdK-6avoC:
34.6
6hwdL-6avoC:
24.9		 6hwdK-6avoC:
66.25
6hwdL-6avoC:
21.35
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-8

(Homo sapiens) 		no annotation 6 THR C   1
ALA C  20
ALA C  28
MET C  45
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.4A)
BZ7  C 301 ( 4.7A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 1.21A 6hwdK-6avoC:
34.6
6hwdL-6avoC:
24.9		 6hwdK-6avoC:
66.25
6hwdL-6avoC:
21.35
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-9

(Homo sapiens) 		no annotation 5 THR A   1
ALA A  22
LYS A  33
GLY A  47
ALA A  49
 None
 0.55A 6hwdK-6avoA:
25.2
6hwdL-6avoA:
25.8		 6hwdK-6avoA:
31.25
6hwdL-6avoA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bm8 ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA A 211
THR A 221
ALA A 222
ALA A 190
ASP A 188
 None
 0.93A 6hwdK-6bm8A:
undetectable
6hwdL-6bm8A:
undetectable		 6hwdK-6bm8A:
18.07
6hwdL-6bm8A:
25.88
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.
6gbh HOPQ

(Helicobacter
pylori) 		no annotation 5 ALA C  59
THR C  58
ALA C  57
GLY C  65
ALA C  63
 None
 0.88A 6hwdK-6gbhC:
undetectable
6hwdL-6gbhC:
undetectable		 6hwdK-6gbhC:
15.85
6hwdL-6gbhC:
22.62