SIMILAR PATTERNS OF AMINO ACIDS FOR 3MG0_2_BO221405_1

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.
1a5z L-LACTATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 146
THR A 139
ALA A  97
SER A 272
GLY A 164
 None
NAD  A 352 (-3.5A)
None
None
None
 1.20A 3mg02-1a5zA:
undetectable
3mg0V-1a5zA:
undetectable		 3mg02-1a5zA:
20.13
3mg0V-1a5zA:
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.
1dkg NUCLEOTIDE EXCHANGE
FACTOR GRPE

(Escherichia
coli) 		PF01025
(GrpE) 		5 THR A 191
THR A 145
GLY A 168
ALA A 193
SER A 162
 None
 1.12A 3mg02-1dkgA:
undetectable
3mg0V-1dkgA:
undetectable		 3mg02-1dkgA:
20.17
3mg0V-1dkgA:
18.75
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.
1euz GLUTAMATE
DEHYDROGENASE

(Thermococcus
profundus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 THR A 227
THR A 191
ALA A 195
GLY A 221
ALA A 295
 None
SO4  A 602 (-2.8A)
None
None
None
 1.05A 3mg02-1euzA:
undetectable
3mg0V-1euzA:
undetectable		 3mg02-1euzA:
18.03
3mg0V-1euzA:
20.38
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.
1f7c RHOGAP PROTEIN

(Gallus gallus) 		PF00620
(RhoGAP) 		5 THR A 258
THR A 256
ALA A 260
GLY A 212
ALA A 207
 None
 1.06A 3mg02-1f7cA:
undetectable
3mg0V-1f7cA:
undetectable		 3mg02-1f7cA:
19.26
3mg0V-1f7cA:
22.18
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.34A 3mg02-1j2qH:
28.8
3mg0V-1j2qH:
29.7		 3mg02-1j2qH:
28.00
3mg0V-1j2qH:
32.00
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.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 334
THR A 333
THR A 332
GLY A 309
ALA A 375
 FAD  A 701 (-2.8A)
None
None
FAD  A 701 (-3.4A)
FAD  A 701 (-3.8A)
 1.15A 3mg02-1jscA:
undetectable
3mg0V-1jscA:
undetectable		 3mg02-1jscA:
16.75
3mg0V-1jscA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 THR A 582
THR A 583
THR A 394
ALA A 584
GLY A 398
 None
 1.19A 3mg02-1kcwA:
undetectable
3mg0V-1kcwA:
undetectable		 3mg02-1kcwA:
11.21
3mg0V-1kcwA:
12.37
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 THR A 403
THR A 404
THR A 405
ALA A 223
GLY A 433
 None
 0.96A 3mg02-1kqfA:
undetectable
3mg0V-1kqfA:
undetectable		 3mg02-1kqfA:
11.71
3mg0V-1kqfA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 THR A 378
SER A 365
GLY A 366
ALA A 383
SER A 133
 None
XPL  A 202 ( 2.7A)
None
None
None
 1.11A 3mg02-1l2qA:
undetectable
3mg0V-1l2qA:
undetectable		 3mg02-1l2qA:
18.30
3mg0V-1l2qA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT

(Klebsiella
pneumoniae) 		PF08841
(DDR) 		5 THR A  14
THR A  13
SER A  31
GLY A  32
ALA A  52
 None
 1.19A 3mg02-1nbwA:
undetectable
3mg0V-1nbwA:
undetectable		 3mg02-1nbwA:
18.33
3mg0V-1nbwA:
17.17
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.
1nex CDC4 PROTEIN

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12937
(F-box-like) 		5 THR B 592
THR B 593
GLY B 636
ALA B 649
SER B 653
 None
 0.87A 3mg02-1nexB:
undetectable
3mg0V-1nexB:
undetectable		 3mg02-1nexB:
18.53
3mg0V-1nexB:
19.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.51A 3mg02-1q5qH:
26.9
3mg0V-1q5qH:
25.8		 3mg02-1q5qH:
30.21
3mg0V-1q5qH:
25.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 THR A 474
THR A 472
ALA A 473
SER A 440
GLY A 441
 None
2MD  A 799 (-4.0A)
None
2MD  A 799 ( 4.4A)
2MD  A 799 (-3.7A)
 1.16A 3mg02-1tmoA:
undetectable
3mg0V-1tmoA:
undetectable		 3mg02-1tmoA:
12.92
3mg0V-1tmoA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF14519
(Macro_2) 		5 THR A 148
ALA A 198
SER A 119
GLY A 118
ALA A 173
 APR  A 285 (-2.8A)
APR  A 285 (-3.4A)
None
None
None
 1.07A 3mg02-1txzA:
undetectable
3mg0V-1txzA:
undetectable		 3mg02-1txzA:
22.15
3mg0V-1txzA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 THR A 141
THR A 145
ALA A 148
GLY A 246
ALA A  73
 None
 1.12A 3mg02-2cfzA:
undetectable
3mg0V-2cfzA:
undetectable		 3mg02-2cfzA:
15.36
3mg0V-2cfzA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2crn UBASH3A PROTEIN

(Homo sapiens) 		PF00627
(UBA) 		5 THR A  37
THR A  33
ALA A  32
ALA A  43
HIS A  48
 None
 1.17A 3mg02-2crnA:
undetectable
3mg0V-2crnA:
undetectable		 3mg02-2crnA:
15.88
3mg0V-2crnA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5u VIRION PROTEIN UL25

(Human
alphaherpesvirus
1) 		PF01499
(Herpes_UL25) 		5 THR A 510
THR A 502
ALA A 211
ALA A 197
SER A 205
 None
 1.06A 3mg02-2f5uA:
undetectable
3mg0V-2f5uA:
undetectable		 3mg02-2f5uA:
20.05
3mg0V-2f5uA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f91 HEPATOPANCREAS
TRYPSIN

(Astacus
leptodactylus) 		PF00089
(Trypsin) 		5 THR A 139
THR A 159
GLY A 211
ALA A 200
SER A 190
 None
CL  A 408 (-4.9A)
None
None
None
 1.13A 3mg02-2f91A:
undetectable
3mg0V-2f91A:
undetectable		 3mg02-2f91A:
24.79
3mg0V-2f91A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.58A 3mg02-2fhgH:
25.7
3mg0V-2fhgH:
25.1		 3mg02-2fhgH:
25.00
3mg0V-2fhgH:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iph THIOL PROTEASE P3C

(Norwalk virus) 		PF05416
(Peptidase_C37) 		5 THR A1028
THR A1027
THR A1056
GLY A1155
ALA A1170
 None
 1.20A 3mg02-2iphA:
undetectable
3mg0V-2iphA:
undetectable		 3mg02-2iphA:
23.00
3mg0V-2iphA:
22.59
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.
2jet CHYMOTRYPSINOGEN B
CHAIN B
CHYMOTRYPSINOGEN B
CHAIN C

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 THR B 138
THR B 139
ALA C 158
GLY C 196
SER C 217
 None
 1.17A 3mg02-2jetB:
undetectable
3mg0V-2jetB:
undetectable		 3mg02-2jetB:
19.10
3mg0V-2jetB:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 THR A 126
THR A 125
SER A 377
GLY A 376
ALA A 380
 None
None
SCY  A 129 ( 3.6A)
SCY  A 129 ( 3.5A)
None
 0.85A 3mg02-2p8uA:
undetectable
3mg0V-2p8uA:
undetectable		 3mg02-2p8uA:
18.10
3mg0V-2p8uA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		5 THR A 610
ALA A 606
SER A 377
GLY A 378
ALA A 380
 None
 1.12A 3mg02-2vobA:
undetectable
3mg0V-2vobA:
undetectable		 3mg02-2vobA:
16.07
3mg0V-2vobA:
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.
2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 THR A 163
THR A 162
SER A 414
GLY A 413
ALA A 417
 None
None
HMG  A1509 (-3.4A)
HMG  A1509 (-3.5A)
None
 0.83A 3mg02-2wyaA:
undetectable
3mg0V-2wyaA:
undetectable		 3mg02-2wyaA:
18.18
3mg0V-2wyaA:
19.35
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.
2xts SULFITE
DEHYDROGENASE

(Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 THR A 155
THR A 154
ALA A 156
GLY A 240
ALA A 238
 None
 0.92A 3mg02-2xtsA:
undetectable
3mg0V-2xtsA:
undetectable		 3mg02-2xtsA:
20.94
3mg0V-2xtsA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xwl 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF01128
(IspD) 		5 THR A  58
SER A  74
GLY A  75
ALA A  86
SER A  61
 None
 1.17A 3mg02-2xwlA:
undetectable
3mg0V-2xwlA:
undetectable		 3mg02-2xwlA:
20.97
3mg0V-2xwlA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		5 THR A 100
THR A  28
THR A  29
ALA A  32
SER A  95
 None
 1.04A 3mg02-2z0jA:
undetectable
3mg0V-2z0jA:
undetectable		 3mg02-2z0jA:
21.26
3mg0V-2z0jA:
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.
3anv D-SERINE DEHYDRATASE

(Gallus gallus) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 THR A 197
THR A 195
ALA A 199
GLY A 220
ALA A 175
 None
 1.08A 3mg02-3anvA:
undetectable
3mg0V-3anvA:
undetectable		 3mg02-3anvA:
19.51
3mg0V-3anvA:
20.38
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.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		5 THR A 235
THR A 236
SER A 268
GLY A 267
ALA A 145
 None
 0.84A 3mg02-3bjeA:
undetectable
3mg0V-3bjeA:
undetectable		 3mg02-3bjeA:
21.63
3mg0V-3bjeA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eex OUTER SURFACE
PROTEIN A

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		6 THR A 241
THR A 245
THR A 246
SER A 224
GLY A 225
ALA A 227
 None
 1.46A 3mg02-3eexA:
undetectable
3mg0V-3eexA:
undetectable		 3mg02-3eexA:
20.96
3mg0V-3eexA:
21.85
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.
3etv PROTEIN TRANSPORT
PROTEIN TIP20,
PROTEIN TRANSPORT
PROTEIN DSL1 CHIMERA

(Saccharomyces
cerevisiae) 		PF11988
(Dsl1_N) 		5 THR A 263
ALA A 267
SER A 232
GLY A 233
SER A 259
 None
 1.07A 3mg02-3etvA:
undetectable
3mg0V-3etvA:
undetectable		 3mg02-3etvA:
19.72
3mg0V-3etvA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 THR A  12
ALA A 173
SER A 145
GLY A 146
ALA A 148
 None
None
EDO  A 508 ( 4.7A)
None
None
 1.19A 3mg02-3h7rA:
undetectable
3mg0V-3h7rA:
undetectable		 3mg02-3h7rA:
19.70
3mg0V-3h7rA:
22.42
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 THR A 109
THR A 108
ALA A 128
SER A  56
GLY A  55
 None
 1.13A 3mg02-3hj6A:
undetectable
3mg0V-3hj6A:
undetectable		 3mg02-3hj6A:
23.10
3mg0V-3hj6A:
24.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3il3 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Haemophilus
influenzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A  79
SER A 311
GLY A 310
ALA A 302
SER A 120
 None
None
None
SCY  A 112 ( 3.8A)
None
 1.11A 3mg02-3il3A:
undetectable
3mg0V-3il3A:
undetectable		 3mg02-3il3A:
22.12
3mg0V-3il3A:
22.81
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.
3kw3 ALANINE RACEMASE

(Bartonella
henselae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 THR A 282
ALA A 281
SER A 296
GLY A 312
SER A 318
 None
 1.18A 3mg02-3kw3A:
undetectable
3mg0V-3kw3A:
undetectable		 3mg02-3kw3A:
21.65
3mg0V-3kw3A:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 10 THR N   1
THR N  20
THR N  21
THR N  22
ALA N  27
LYS N  33
SER N  46
GLY N  47
ALA N  49
SER N 168
 None
 0.53A 3mg02-3mg6N:
38.4
3mg0V-3mg6N:
29.3		 3mg02-3mg6N:
100.00
3mg0V-3mg6N:
31.05
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.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		5 THR A 128
THR A 129
ALA A 130
SER A 149
SER A 114
 None
 1.12A 3mg02-3njxA:
undetectable
3mg0V-3njxA:
undetectable		 3mg02-3njxA:
20.28
3mg0V-3njxA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 THR A  21
ALA A  23
SER A 210
GLY A 211
SER A 133
 None
 1.10A 3mg02-3q9tA:
undetectable
3mg0V-3q9tA:
undetectable		 3mg02-3q9tA:
14.36
3mg0V-3q9tA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r2g INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE

(Legionella
pneumophila) 		PF00478
(IMPDH) 		5 THR A 237
GLY A 229
SER A 234
HIS A  72
SER A 258
 None
 1.19A 3mg02-3r2gA:
undetectable
3mg0V-3r2gA:
undetectable		 3mg02-3r2gA:
20.57
3mg0V-3r2gA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		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
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
 0.58A 3mg02-3unfH:
30.8
3mg0V-3unfH:
35.7		 3mg02-3unfH:
27.11
3mg0V-3unfH:
45.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR L   1
THR L  21
ALA L  27
LYS L  33
GLY L  47
ALA L  49
 None
 0.79A 3mg02-3wxrL:
28.6
3mg0V-3wxrL:
28.9		 3mg02-3wxrL:
24.20
3mg0V-3wxrL:
29.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   2
THR L   1
SER L 174
GLY L 173
ALA L 165
 None
 0.92A 3mg02-3wxrL:
28.6
3mg0V-3wxrL:
28.9		 3mg02-3wxrL:
24.20
3mg0V-3wxrL:
29.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 THR A 385
THR A 326
ALA A 376
ALA A  66
SER A  65
 None
 1.15A 3mg02-3zzuA:
undetectable
3mg0V-3zzuA:
undetectable		 3mg02-3zzuA:
15.80
3mg0V-3zzuA:
16.87
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 THR A 150
ALA A 122
GLY A 184
ALA A 169
SER A 222
 None
 1.04A 3mg02-4cakA:
undetectable
3mg0V-4cakA:
undetectable		 3mg02-4cakA:
10.89
3mg0V-4cakA:
14.82
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.
4dqd EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 ALA A 118
GLY A  37
ALA A 220
SER A  93
HIS A 244
 PPY  A 401 (-3.6A)
None
PPY  A 401 (-3.4A)
None
PPY  A 401 (-3.6A)
 1.18A 3mg02-4dqdA:
undetectable
3mg0V-4dqdA:
undetectable		 3mg02-4dqdA:
19.95
3mg0V-4dqdA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 THR A  33
THR A 158
THR A 159
ALA A 200
GLY A 135
 None
 0.80A 3mg02-4dqxA:
undetectable
3mg0V-4dqxA:
undetectable		 3mg02-4dqxA:
21.91
3mg0V-4dqxA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A 162
ALA A 148
SER A 124
GLY A 123
ALA A 121
 None
 1.15A 3mg02-4g4eA:
20.2
3mg0V-4g4eA:
21.9		 3mg02-4g4eA:
21.83
3mg0V-4g4eA:
31.46
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.
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
 0.62A 3mg02-4ho7A:
20.3
3mg0V-4ho7A:
21.1		 3mg02-4ho7A:
28.08
3mg0V-4ho7A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ibn RIBONUCLEASE H

(uncultured
organism) 		PF00075
(RNase_H) 		5 THR A  95
THR A  94
GLY A  39
ALA A 158
HIS A 152
 None
 1.19A 3mg02-4ibnA:
undetectable
3mg0V-4ibnA:
undetectable		 3mg02-4ibnA:
19.20
3mg0V-4ibnA:
21.81
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 ALA A  95
GLY A 149
ALA A 145
SER A  99
SER A 143
 1HS  A 302 ( 4.6A)
None
1HS  A 302 ( 4.0A)
None
1HS  A 302 ( 2.5A)
 0.90A 3mg02-4ituA:
undetectable
3mg0V-4ituA:
undetectable		 3mg02-4ituA:
22.58
3mg0V-4ituA:
24.46
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.
4k3g IMMUNOGLOBULIN
LAMBDA VARIABLE
DOMAIN L5(L89S)

(Homo sapiens) 		PF07686
(V-set) 		5 THR A 102
THR A  22
THR A  74
ALA A  72
SER A   9
 None
 1.20A 3mg02-4k3gA:
undetectable
3mg0V-4k3gA:
undetectable		 3mg02-4k3gA:
21.78
3mg0V-4k3gA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
THR K  21
ALA K  27
LYS K  33
GLY K  47
ALA K  49
 None
 0.62A 3mg02-4qv9K:
28.8
3mg0V-4qv9K:
29.2		 3mg02-4qv9K:
27.18
3mg0V-4qv9K:
29.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   2
THR K   1
SER K 174
GLY K 173
ALA K 165
 None
 0.95A 3mg02-4qv9K:
28.8
3mg0V-4qv9K:
29.2		 3mg02-4qv9K:
27.18
3mg0V-4qv9K:
29.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 THR A2419
THR A2418
GLY A1979
SER A2167
SER A2100
 None
 1.13A 3mg02-4rh7A:
undetectable
3mg0V-4rh7A:
undetectable		 3mg02-4rh7A:
4.67
3mg0V-4rh7A:
5.37
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.
4ur8 KETO-DEOXY-D-GALACTA
RATE DEHYDRATASE

(Agrobacterium
tumefaciens) 		PF00701
(DHDPS) 		5 THR A  67
ALA A  70
GLY A  84
ALA A  50
SER A  98
 None
 1.08A 3mg02-4ur8A:
undetectable
3mg0V-4ur8A:
undetectable		 3mg02-4ur8A:
22.00
3mg0V-4ur8A:
19.11
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.
4v15 D-THREONINE ALDOLASE

(Achromobacter
xylosoxidans) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 THR A 233
ALA A  47
SER A 252
GLY A 251
SER A 235
 PLP  A1380 (-3.6A)
None
PLP  A1381 (-2.6A)
PLP  A1381 (-3.5A)
None
 0.88A 3mg02-4v15A:
undetectable
3mg0V-4v15A:
undetectable		 3mg02-4v15A:
17.87
3mg0V-4v15A:
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.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 THR A 417
THR A 416
THR A 415
ALA A 399
SER A 460
 NA  A 601 ( 4.7A)
None
None
None
NA  A 601 ( 4.4A)
 0.88A 3mg02-4y23A:
undetectable
3mg0V-4y23A:
2.1		 3mg02-4y23A:
16.70
3mg0V-4y23A:
16.55
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.
5aa6 VANADIUM-DEPENDENT
BROMOPEROXIDASE 2

(Ascophyllum
nodosum) 		no annotation 5 THR A 523
ALA A 527
GLY A 238
SER A 246
SER A 216
 None
 1.11A 3mg02-5aa6A:
undetectable
3mg0V-5aa6A:
undetectable		 3mg02-5aa6A:
15.40
3mg0V-5aa6A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aa6 VANADIUM-DEPENDENT
BROMOPEROXIDASE 2

(Ascophyllum
nodosum) 		no annotation 5 THR A 523
SER A 241
GLY A 238
SER A 246
SER A 216
 None
 1.10A 3mg02-5aa6A:
undetectable
3mg0V-5aa6A:
undetectable		 3mg02-5aa6A:
15.40
3mg0V-5aa6A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 SER A1871
GLY A1872
ALA A1874
HIS A1925
SER A1928
 None
 1.20A 3mg02-5cslA:
undetectable
3mg0V-5cslA:
undetectable		 3mg02-5cslA:
6.22
3mg0V-5cslA:
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.
5dql ISOCITRATE LYASE 1

(Mycobacterium
tuberculosis) 		PF00463
(ICL) 		5 THR A  27
THR A 210
THR A 208
ALA A 212
ALA A 279
 None
None
None
None
MG  A 502 (-4.8A)
 1.17A 3mg02-5dqlA:
undetectable
3mg0V-5dqlA:
undetectable		 3mg02-5dqlA:
18.24
3mg0V-5dqlA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		5 THR A 188
THR A  66
THR A  65
ALA A  92
ALA A  68
 None
 1.02A 3mg02-5e7pA:
undetectable
3mg0V-5e7pA:
undetectable		 3mg02-5e7pA:
13.26
3mg0V-5e7pA:
15.95
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 THR A 135
THR A 134
THR A 133
ALA A 138
ALA A 161
 None
 1.16A 3mg02-5ey8A:
undetectable
3mg0V-5ey8A:
undetectable		 3mg02-5ey8A:
15.08
3mg0V-5ey8A:
15.98
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.
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
 0.47A 3mg02-5fg9H:
27.8
3mg0V-5fg9H:
36.5		 3mg02-5fg9H:
29.41
3mg0V-5fg9H:
98.23
Potential target for repurposing, i.e. matched protein structure has less than 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
THR I  21
ALA I  27
LYS I  33
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.88A 3mg02-5fmgI:
28.1
3mg0V-5fmgI:
30.2		 3mg02-5fmgI:
27.71
3mg0V-5fmgI:
48.70
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE
PROTEASOME, PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR H  20
SER H  46
GLY H  47
HIS I 114
SER I 118
 None
 0.85A 3mg02-5fmgH:
28.5
3mg0V-5fmgH:
27.5		 3mg02-5fmgH:
27.38
3mg0V-5fmgH:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hd2 PARASPORAL CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 THR A 298
THR A 261
THR A 285
ALA A 260
ALA A 281
 None
 1.19A 3mg02-5hd2A:
undetectable
3mg0V-5hd2A:
undetectable		 3mg02-5hd2A:
19.22
3mg0V-5hd2A:
19.50
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.
5iy9 GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 4

(Homo sapiens) 		PF03849
(Tfb2) 		5 THR 2 133
GLY 2 165
SER 2  86
HIS 2  97
SER 2 172
 None
 1.19A 3mg02-5iy92:
undetectable
3mg0V-5iy92:
undetectable		 3mg02-5iy92:
17.24
3mg0V-5iy92:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxl FLAGELLAR HOOK
PROTEIN FLGE

(Campylobacter
jejuni) 		PF00460
(Flg_bb_rod)
PF06429
(Flg_bbr_C)
PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 THR A  31
THR A  86
SER A 116
GLY A 117
ALA A  94
 None
 1.15A 3mg02-5jxlA:
undetectable
3mg0V-5jxlA:
undetectable		 3mg02-5jxlA:
14.25
3mg0V-5jxlA:
15.54
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.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		5 THR A 184
ALA A 141
GLY A 440
HIS A 259
SER A 296
 None
 1.17A 3mg02-5kcaA:
undetectable
3mg0V-5kcaA:
undetectable		 3mg02-5kcaA:
14.68
3mg0V-5kcaA:
15.66
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 THR A 468
THR A 436
THR A 437
THR A 438
GLY A 465
 None
 0.97A 3mg02-5l46A:
undetectable
3mg0V-5l46A:
undetectable		 3mg02-5l46A:
12.56
3mg0V-5l46A:
15.50
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
THR K  21
ALA K  27
LYS K  33
GLY K  47
ALA K  49
 None
 0.83A 3mg02-5l5wK:
28.6
3mg0V-5l5wK:
29.2		 3mg02-5l5wK:
28.37
3mg0V-5l5wK:
29.91
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   2
THR K   1
SER K 173
GLY K 172
ALA K 164
 None
 0.89A 3mg02-5l5wK:
28.6
3mg0V-5l5wK:
29.2		 3mg02-5l5wK:
28.37
3mg0V-5l5wK:
29.91
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.
5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 ALA b 259
SER b 249
GLY b 250
SER b 471
SER b 283
 None
 1.02A 3mg02-5l9wb:
undetectable
3mg0V-5l9wb:
undetectable		 3mg02-5l9wb:
14.83
3mg0V-5l9wb:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldy IG DOMAIN PROTEIN
GROUP 1 DOMAIN
PROTEIN

(Yersinia
pseudotuberculosis) 		PF09134
(Invasin_D3) 		5 ALA A1651
SER A1713
GLY A1714
ALA A1716
SER A1687
 None
 1.08A 3mg02-5ldyA:
undetectable
3mg0V-5ldyA:
undetectable		 3mg02-5ldyA:
21.34
3mg0V-5ldyA:
22.19
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.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA K  28
SER K  46
GLY K  47
ALA K  49
SER K 170
 7DX  K 301 ( 4.6A)
None
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
None
 1.07A 3mg02-5m2bK:
28.9
3mg0V-5m2bK:
29.7		 3mg02-5m2bK:
29.67
3mg0V-5m2bK:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
ALA K  28
SER K  46
GLY K  47
ALA K  49
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.6A)
None
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
 0.85A 3mg02-5m2bK:
28.9
3mg0V-5m2bK:
29.7		 3mg02-5m2bK:
29.67
3mg0V-5m2bK:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
LYS K  33
SER K  46
GLY K  47
ALA K  49
 7DX  K 301 (-3.3A)
7DX  K 301 (-4.2A)
None
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
 0.39A 3mg02-5m2bK:
28.9
3mg0V-5m2bK:
29.7		 3mg02-5m2bK:
29.67
3mg0V-5m2bK:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   2
THR K   1
SER K 173
GLY K 172
ALA K 164
 None
7DX  K 301 (-3.3A)
None
None
MG  K 302 (-4.8A)
 0.93A 3mg02-5m2bK:
28.9
3mg0V-5m2bK:
29.7		 3mg02-5m2bK:
29.67
3mg0V-5m2bK:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n2b PUTATIVE FIMBRIAL
SUBUNIT TYPE 1

(Burkholderia
pseudomallei) 		no annotation 5 THR A 174
ALA A 172
SER A  89
GLY A  90
SER A 135
 None
 1.05A 3mg02-5n2bA:
undetectable
3mg0V-5n2bA:
undetectable		 3mg02-5n2bA:
17.84
3mg0V-5n2bA:
16.82
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.
5nyj ANBU

(Hyphomicrobium
sp. MC1) 		PF00227
(Proteasome) 		6 THR A   1
THR A  20
ALA A  28
LYS A  32
GLY A  50
SER A 190
 None
 1.29A 3mg02-5nyjA:
21.6
3mg0V-5nyjA:
5.7		 3mg02-5nyjA:
24.15
3mg0V-5nyjA:
25.19
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.
5ovt BPH

(Thiobacillus
denitrificans) 		no annotation 5 THR A   1
THR A  20
LYS A  37
GLY A  50
ALA A  52
 PO4  A 301 ( 4.5A)
None
None
PO4  A 301 (-4.1A)
None
 0.47A 3mg02-5ovtA:
17.0
3mg0V-5ovtA:
19.5		 3mg02-5ovtA:
22.63
3mg0V-5ovtA:
16.22
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 THR A 286
THR A 287
THR A 288
ALA A 317
SER A 319
 EDO  A 818 (-4.2A)
None
EDO  A 818 (-4.1A)
None
None
 1.01A 3mg02-5v1wA:
undetectable
3mg0V-5v1wA:
undetectable		 3mg02-5v1wA:
14.20
3mg0V-5v1wA:
14.61
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 6 THR R   1
THR R  21
ALA R  27
LYS R  33
GLY R  47
ALA R  49
 None
 0.69A 3mg02-5vfrR:
27.8
3mg0V-5vfrR:
27.5		 3mg02-5vfrR:
undetectable
3mg0V-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 5 THR R   1
THR R  21
ALA R  27
LYS R  33
GLY R  48
 None
 0.83A 3mg02-5vfrR:
27.8
3mg0V-5vfrR:
27.5		 3mg02-5vfrR:
undetectable
3mg0V-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.
5vh6 ELONGATION FACTOR G

(Bacillus
subtilis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		5 THR A 384
THR A 325
ALA A 375
ALA A  66
SER A  65
 None
 1.05A 3mg02-5vh6A:
undetectable
3mg0V-5vh6A:
undetectable		 3mg02-5vh6A:
19.04
3mg0V-5vh6A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wy4 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 ALA A 137
SER A 215
GLY A 212
HIS A 103
SER A 203
 None
 1.04A 3mg02-5wy4A:
undetectable
3mg0V-5wy4A:
undetectable		 3mg02-5wy4A:
18.13
3mg0V-5wy4A:
18.12
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.
5x62 CARNOSINE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF07942
(N2227) 		5 THR A 336
THR A 318
GLY A 315
HIS A 250
SER A 281
 None
 1.13A 3mg02-5x62A:
undetectable
3mg0V-5x62A:
undetectable		 3mg02-5x62A:
20.05
3mg0V-5x62A:
19.12
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.
5z9a CHORISMATE SYNTHASE

(Pseudomonas
aeruginosa) 		no annotation 5 THR A  14
THR A  13
ALA A  25
SER A   2
GLY A   3
 None
 1.07A 3mg02-5z9aA:
undetectable
3mg0V-5z9aA:
undetectable		 3mg02-5z9aA:
17.35
3mg0V-5z9aA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aoo MALATE DEHYDROGENASE

(Haemophilus
influenzae) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 211
ALA A 209
GLY A 221
ALA A 223
SER A 226
 None
None
None
SO4  A 401 (-3.4A)
None
 1.20A 3mg02-6aooA:
undetectable
3mg0V-6aooA:
undetectable		 3mg02-6aooA:
23.75
3mg0V-6aooA:
21.11
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 5 THR B   1
THR B  21
ALA B  27
LYS B  33
GLY B  47
 None
 0.77A 3mg02-6avoB:
21.2
3mg0V-6avoB:
21.1		 3mg02-6avoB:
21.20
3mg0V-6avoB:
43.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 5 THR B  21
ALA B  27
LYS B  33
GLY B  47
ALA B  49
 None
 0.68A 3mg02-6avoB:
21.2
3mg0V-6avoB:
21.1		 3mg02-6avoB:
21.20
3mg0V-6avoB:
43.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avo PROTEASOME SUBUNIT
BETA TYPE-10
PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 6 SER A  46
GLY A  47
ALA A  49
SER A 169
HIS B 114
SER B 118
 None
 0.97A 3mg02-6avoA:
25.7
3mg0V-6avoA:
25.9		 3mg02-6avoA:
24.86
3mg0V-6avoA:
24.82
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10
PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 6 THR A   1
ALA A  22
SER A  46
ALA A  49
SER A 168
SER B 118
 None
 1.43A 3mg02-6avoA:
25.7
3mg0V-6avoA:
25.9		 3mg02-6avoA:
24.86
3mg0V-6avoA:
24.82
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10
PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 8 THR A   1
LYS A  33
SER A  46
GLY A  47
ALA A  49
SER A 168
HIS B 114
SER B 118
 None
 0.60A 3mg02-6avoA:
25.7
3mg0V-6avoA:
25.9		 3mg02-6avoA:
24.86
3mg0V-6avoA:
24.82
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 5 THR C   1
ALA C  28
SER C  46
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.4A)
None
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 1.02A 3mg02-6avoC:
29.2
3mg0V-6avoC:
29.3		 3mg02-6avoC:
21.31
3mg0V-6avoC:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 5 THR C   1
LYS C  33
SER C  46
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 ( 4.8A)
None
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 0.63A 3mg02-6avoC:
29.2
3mg0V-6avoC:
29.3		 3mg02-6avoC:
21.31
3mg0V-6avoC:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cv0 SPIKE GLYCOPROTEIN

(Avian
coronavirus) 		no annotation 5 THR A 154
ALA A 100
SER A  88
GLY A  89
ALA A  85
 None
 1.20A 3mg02-6cv0A:
undetectable
3mg0V-6cv0A:
undetectable		 3mg02-6cv0A:
18.38
3mg0V-6cv0A:
15.46
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.
6f34 AMINO ACID
TRANSPORTER

(Geobacillus
kaustophilus) 		no annotation 5 THR A 276
THR A  49
GLY A  58
ALA A  54
SER A 272
 None
 1.09A 3mg02-6f34A:
undetectable
3mg0V-6f34A:
undetectable		 3mg02-6f34A:
18.32
3mg0V-6f34A:
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 5 THR A 266
THR A  81
ALA A  80
GLY A  85
ALA A 162
 None
 1.20A 3mg02-6frlA:
undetectable
3mg0V-6frlA:
undetectable		 3mg02-6frlA:
18.18
3mg0V-6frlA:
16.59