SIMILAR PATTERNS OF AMINO ACIDS FOR 5MRA_B_DM2B204_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.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		4 PHE A 209
THR A 257
ASP A  31
GLY A  24
 None
 1.04A 5mraA-1b65A:
undetectable
5mraB-1b65A:
undetectable		 5mraA-1b65A:
19.05
5mraB-1b65A:
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.
1e3j NADP(H)-DEPENDENT
KETOSE REDUCTASE

(Bemisia
argentifolii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TYR A  47
PHE A  56
THR A 118
GLY A  51
 None
 1.21A 5mraA-1e3jA:
0.0
5mraB-1e3jA:
undetectable		 5mraA-1e3jA:
19.10
5mraB-1e3jA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ewx TRYPAREDOXIN I

(Crithidia
fasciculata) 		PF13905
(Thioredoxin_8) 		4 PHE A  32
THR A 124
ASP A 121
GLY A 120
 None
 1.12A 5mraA-1ewxA:
undetectable
5mraB-1ewxA:
0.0		 5mraA-1ewxA:
19.76
5mraB-1ewxA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 TYR A 100
PHE A 601
ASP A 591
GLY A 590
 None
 1.11A 5mraA-1f4hA:
0.0
5mraB-1f4hA:
0.2		 5mraA-1f4hA:
10.79
5mraB-1f4hA:
10.79
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.
1m4x PBCV-1 VIRUS CAPSID

(Paramecium
bursaria
Chlorella virus
1) 		PF04451
(Capsid_NCLDV)
PF16903
(Capsid_N) 		4 TYR A 300
THR A 297
ASP A 299
GLY A 301
 None
 1.03A 5mraA-1m4xA:
undetectable
5mraB-1m4xA:
undetectable		 5mraA-1m4xA:
16.79
5mraB-1m4xA:
16.79
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.
1mmf GLYCEROL DEHYDRASE
BETA SUBUNIT

(Klebsiella
pneumoniae) 		PF02288
(Dehydratase_MU) 		4 PHE B  82
THR B  77
ARG B  76
GLY B  33
 None
 1.18A 5mraA-1mmfB:
0.0
5mraB-1mmfB:
0.0		 5mraA-1mmfB:
20.20
5mraB-1mmfB:
20.20
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.
1ogy DIHEME CYTOCHROME C
NAPB MOLECULE:
NITRATE REDUCTASE

(Rhodobacter
sphaeroides) 		PF03892
(NapB) 		4 THR B  78
ARG B  95
ASP B  82
GLY B  85
 None
HEC  B1129 (-4.2A)
None
None
 1.21A 5mraA-1ogyB:
undetectable
5mraB-1ogyB:
undetectable		 5mraA-1ogyB:
22.47
5mraB-1ogyB:
22.47
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.
1pl8 HUMAN SORBITOL
DEHYDROGENASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TYR A  50
PHE A  59
THR A 121
GLY A  54
 None
 1.27A 5mraA-1pl8A:
0.0
5mraB-1pl8A:
undetectable		 5mraA-1pl8A:
17.03
5mraB-1pl8A:
17.03
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.
1s4f RNA-DEPENDENT RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		4 PHE A 549
THR A 580
ARG A 529
ASP A 531
 None
 0.95A 5mraA-1s4fA:
undetectable
5mraB-1s4fA:
0.0		 5mraA-1s4fA:
15.56
5mraB-1s4fA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 PHE A 648
ARG A 635
ASP A 634
GLY A 632
 None
 1.06A 5mraA-1tkcA:
0.0
5mraB-1tkcA:
0.5		 5mraA-1tkcA:
14.52
5mraB-1tkcA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uis RED FLUORESCENT
PROTEIN FP611

(Entacmaea
quadricolor) 		PF01353
(GFP) 		4 TYR A  96
PHE A 102
THR A  94
GLY A  99
 None
 1.22A 5mraA-1uisA:
undetectable
5mraB-1uisA:
undetectable		 5mraA-1uisA:
21.24
5mraB-1uisA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 TYR A 110
ARG A  99
ASP A  97
GLY A  77
 None
 1.27A 5mraA-1vknA:
undetectable
5mraB-1vknA:
undetectable		 5mraA-1vknA:
18.10
5mraB-1vknA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 TYR A  98
PHE A 585
ASP A 575
GLY A 574
 None
 1.24A 5mraA-1yq2A:
0.0
5mraB-1yq2A:
0.0		 5mraA-1yq2A:
10.17
5mraB-1yq2A:
10.17
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.
1zot CALMODULIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 TYR B 138
ARG B  90
ASP B  93
GLY B  98
 None
None
CA  B 801 (-3.0A)
None
 1.17A 5mraA-1zotB:
3.8
5mraB-1zotB:
3.6		 5mraA-1zotB:
16.77
5mraB-1zotB:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 THR A 677
ARG A 780
ASP A 781
GLY A 222
 None
 1.18A 5mraA-2b3xA:
undetectable
5mraB-2b3xA:
undetectable		 5mraA-2b3xA:
11.29
5mraB-2b3xA:
11.29
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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		4 TYR A 243
THR A 233
ASP A 242
GLY A 241
 None
 1.16A 5mraA-2b61A:
undetectable
5mraB-2b61A:
0.4		 5mraA-2b61A:
17.29
5mraB-2b61A:
17.29
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.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 PHE A  57
ARG A  56
ASP A  73
GLY A  50
 COM  A1525 (-4.4A)
COM  A1525 (-3.6A)
FAD  A1524 (-2.7A)
FAD  A1524 (-3.4A)
 1.13A 5mraA-2c3dA:
undetectable
5mraB-2c3dA:
undetectable		 5mraA-2c3dA:
15.24
5mraB-2c3dA:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfc 2-(R)-HYDROXYPROPYL-
COM DEHYDROGENASE

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		4 TYR A  50
THR A  20
ASP A  27
GLY A  26
 None
 1.26A 5mraA-2cfcA:
undetectable
5mraB-2cfcA:
undetectable		 5mraA-2cfcA:
21.60
5mraB-2cfcA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cjs UNC-13 HOMOLOG A

(Rattus
norvegicus) 		PF00168
(C2) 		4 PHE A  20
THR A  22
ASP A  72
GLY A  68
 None
None
GOL  A1158 ( 4.1A)
None
 1.05A 5mraA-2cjsA:
undetectable
5mraB-2cjsA:
undetectable		 5mraA-2cjsA:
21.89
5mraB-2cjsA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cjt UNC-13 HOMOLOG A

(Rattus
norvegicus) 		PF00168
(C2) 		4 PHE A  20
THR A  22
ASP A  72
GLY A  68
 None
None
EDO  A1134 (-2.9A)
FMT  A1137 ( 3.1A)
 1.03A 5mraA-2cjtA:
undetectable
5mraB-2cjtA:
undetectable		 5mraA-2cjtA:
23.16
5mraB-2cjtA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d7q FILAMIN-C

(Homo sapiens) 		PF00630
(Filamin) 		4 TYR A  83
THR A  36
ASP A  10
GLY A   9
 None
 1.05A 5mraA-2d7qA:
undetectable
5mraB-2d7qA:
undetectable		 5mraA-2d7qA:
20.11
5mraB-2d7qA:
20.11
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.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		4 TYR A 222
THR A 174
ASP A 221
GLY A 220
 GLU  A 701 (-3.8A)
GLU  A 701 (-2.9A)
None
None
 1.17A 5mraA-2e4uA:
undetectable
5mraB-2e4uA:
undetectable		 5mraA-2e4uA:
13.64
5mraB-2e4uA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		4 PHE A 128
THR A  68
ARG A 150
GLY A  50
 None
 1.23A 5mraA-2f6dA:
undetectable
5mraB-2f6dA:
undetectable		 5mraA-2f6dA:
15.68
5mraB-2f6dA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		4 THR A 762
ARG A 766
ASP A 767
GLY A 768
 None
 1.17A 5mraA-2g28A:
undetectable
5mraB-2g28A:
undetectable		 5mraA-2g28A:
10.95
5mraB-2g28A:
10.95
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.
2il5 HYPOTHETICAL PROTEIN

(Staphylococcus
aureus) 		PF08327
(AHSA1) 		4 TYR A  78
THR A  31
ASP A  53
GLY A  58
 None
 1.24A 5mraA-2il5A:
undetectable
5mraB-2il5A:
undetectable		 5mraA-2il5A:
20.00
5mraB-2il5A:
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.
2kc6 MATING PHEROMONE
EN-1

(Euplotes
nobilii) 		no annotation 4 TYR A  13
THR A  22
ASP A  15
GLY A  14
 None
 1.14A 5mraA-2kc6A:
undetectable
5mraB-2kc6A:
undetectable		 5mraA-2kc6A:
18.55
5mraB-2kc6A:
18.55
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.
2ptg ENOYL-ACYL CARRIER
REDUCTASE

(Eimeria tenella) 		PF13561
(adh_short_C2) 		4 PHE A 177
THR A 133
ASP A 110
GLY A 113
 None
 1.13A 5mraA-2ptgA:
undetectable
5mraB-2ptgA:
undetectable		 5mraA-2ptgA:
21.52
5mraB-2ptgA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9g CYTOCHROME P450 46A1

(Homo sapiens) 		PF00067
(p450) 		4 TYR A 109
THR A 370
ARG A 372
ASP A 105
 None
HEM  A 505 (-2.9A)
HEM  A 505 ( 4.0A)
None
 1.21A 5mraA-2q9gA:
undetectable
5mraB-2q9gA:
0.7		 5mraA-2q9gA:
16.67
5mraB-2q9gA:
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.
2quq CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
B

(Saccharomyces
cerevisiae) 		PF16846
(Cep3) 		4 TYR A 158
PHE A 225
ASP A 160
GLY A 156
 None
 1.20A 5mraA-2quqA:
undetectable
5mraB-2quqA:
undetectable		 5mraA-2quqA:
13.18
5mraB-2quqA:
13.18
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		4 PHE A 275
THR A 232
ASP A 237
GLY A 264
 None
 1.09A 5mraA-2ri6A:
undetectable
5mraB-2ri6A:
undetectable		 5mraA-2ri6A:
21.13
5mraB-2ri6A:
21.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aak PROGRAMMED CELL
DEATH PROTEIN 6

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		4 THR A 162
ARG A 166
ASP A 169
GLY A 174
 None
 0.59A 5mraA-3aakA:
12.7
5mraB-3aakA:
7.7		 5mraA-3aakA:
36.93
5mraB-3aakA:
36.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ay3 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Chromohalobacter
salexigens) 		PF01370
(Epimerase) 		4 TYR A 252
ARG A 130
ASP A 132
GLY A 254
 None
 0.95A 5mraA-3ay3A:
undetectable
5mraB-3ay3A:
undetectable		 5mraA-3ay3A:
20.45
5mraB-3ay3A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 TYR A 119
PHE A 614
ASP A 602
GLY A 601
 None
 1.12A 5mraA-3bgaA:
undetectable
5mraB-3bgaA:
undetectable		 5mraA-3bgaA:
9.78
5mraB-3bgaA:
9.78
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.
3cnj CHOLESTEROL OXIDASE

(Streptomyces
sp. SA-COO) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 PHE A 487
THR A 491
ASP A 474
GLY A 475
 FAD  A 510 (-3.8A)
None
FAD  A 510 (-4.4A)
FAD  A 510 (-3.6A)
 1.02A 5mraA-3cnjA:
undetectable
5mraB-3cnjA:
undetectable		 5mraA-3cnjA:
16.93
5mraB-3cnjA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhu PREPILIN

(Salmonella
enterica) 		PF08805
(PilS) 		4 TYR A 179
PHE A 177
THR A 139
GLY A 113
 None
 1.16A 5mraA-3fhuA:
undetectable
5mraB-3fhuA:
undetectable		 5mraA-3fhuA:
23.63
5mraB-3fhuA:
23.63
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.
3fnc PUTATIVE
ACETYLTRANSFERASE

(Listeria
innocua) 		PF13673
(Acetyltransf_10) 		4 TYR A 147
PHE A  40
ASP A 145
GLY A 148
 None
MLI  A 161 (-4.8A)
None
None
 1.18A 5mraA-3fncA:
undetectable
5mraB-3fncA:
undetectable		 5mraA-3fncA:
21.67
5mraB-3fncA:
21.67
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.
3gpu DNA GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF01149
(Fapy_DNA_glyco)
PF06827
(zf-FPG_IleRS)
PF06831
(H2TH) 		4 PHE A  61
THR A 116
ARG A  76
GLY A  79
 None
 1.19A 5mraA-3gpuA:
1.7
5mraB-3gpuA:
undetectable		 5mraA-3gpuA:
20.23
5mraB-3gpuA:
20.23
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 THR A 908
ARG A 644
ASP A 678
GLY A 953
 None
 1.22A 5mraA-3ho8A:
undetectable
5mraB-3ho8A:
undetectable		 5mraA-3ho8A:
10.01
5mraB-3ho8A:
10.01
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 THR A 386
ARG A 390
ASP A 393
GLY A 398
 None
None
CA  A 602 (-3.3A)
None
 0.67A 5mraA-3igoA:
undetectable
5mraB-3igoA:
undetectable		 5mraA-3igoA:
17.53
5mraB-3igoA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ix7 UNCHARACTERIZED
PROTEIN TTHA0540

(Thermus
thermophilus) 		no annotation 4 PHE A 181
THR A 147
ASP A 152
GLY A 153
 None
 1.21A 5mraA-3ix7A:
undetectable
5mraB-3ix7A:
undetectable		 5mraA-3ix7A:
22.86
5mraB-3ix7A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khe CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE ISOFORM 3

(Toxoplasma
gondii) 		PF13499
(EF-hand_7) 		4 TYR A 106
THR A  43
ASP A  50
GLY A  55
 None
None
CA  A 195 ( 3.1A)
None
 0.63A 5mraA-3kheA:
2.0
5mraB-3kheA:
3.3		 5mraA-3kheA:
23.50
5mraB-3kheA:
23.50
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.
3l19 CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF13499
(EF-hand_7) 		4 TYR A 432
THR A 372
ARG A 376
ASP A 379
 GOL  A 521 ( 3.8A)
GOL  A 521 ( 4.1A)
GOL  A 521 (-3.0A)
CA  A   8 (-3.0A)
 0.78A 5mraA-3l19A:
undetectable
5mraB-3l19A:
undetectable		 5mraA-3l19A:
23.74
5mraB-3l19A:
23.74
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.
3l19 CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF13499
(EF-hand_7) 		4 TYR A 432
THR A 372
ASP A 379
GLY A 384
 GOL  A 521 ( 3.8A)
GOL  A 521 ( 4.1A)
CA  A   8 (-3.0A)
GOL  A 521 (-3.4A)
 0.72A 5mraA-3l19A:
undetectable
5mraB-3l19A:
undetectable		 5mraA-3l19A:
23.74
5mraB-3l19A:
23.74
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.
3led 3-OXOACYL-ACYL
CARRIER PROTEIN
SYNTHASE III

(Rhodopseudomonas
palustris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 TYR A 327
THR A  13
ASP A 203
GLY A 202
 None
 1.04A 5mraA-3ledA:
undetectable
5mraB-3ledA:
undetectable		 5mraA-3ledA:
17.86
5mraB-3ledA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 TYR A 432
THR A 372
ASP A 379
GLY A 384
 None
None
CA  A   1 (-3.3A)
None
 0.47A 5mraA-3lijA:
undetectable
5mraB-3lijA:
undetectable		 5mraA-3lijA:
14.63
5mraB-3lijA:
14.63
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.
3mil ISOAMYL
ACETATE-HYDROLYZING
ESTERASE

(Saccharomyces
cerevisiae) 		PF13472
(Lipase_GDSL_2) 		4 PHE A 142
THR A 144
ARG A 126
ASP A 125
 None
 1.26A 5mraA-3milA:
undetectable
5mraB-3milA:
undetectable		 5mraA-3milA:
21.83
5mraB-3milA:
21.83
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.
3naf CALCIUM-ACTIVATED
POTASSIUM CHANNEL
SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1

(Homo sapiens) 		PF03493
(BK_channel_a) 		4 TYR A 528
PHE A 909
ARG A 514
GLY A 531
 None
 1.16A 5mraA-3nafA:
undetectable
5mraB-3nafA:
undetectable		 5mraA-3nafA:
12.27
5mraB-3nafA:
12.27
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.
3ozi L6TR

(Linum
usitatissimum) 		PF01582
(TIR) 		4 TYR A 101
PHE A  42
ASP A 103
GLY A 100
 None
 1.13A 5mraA-3oziA:
undetectable
5mraB-3oziA:
undetectable		 5mraA-3oziA:
20.09
5mraB-3oziA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pyc E3 UBIQUITIN-PROTEIN
LIGASE SMURF1

(Homo sapiens) 		PF00168
(C2) 		4 THR A  77
ARG A  99
ASP A  74
GLY A  44
 None
 1.15A 5mraA-3pycA:
undetectable
5mraB-3pycA:
undetectable		 5mraA-3pycA:
22.54
5mraB-3pycA:
22.54
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.
3q3c PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 THR A 100
ARG A 103
ASP A 118
GLY A 167
 None
 1.26A 5mraA-3q3cA:
undetectable
5mraB-3q3cA:
undetectable		 5mraA-3q3cA:
18.79
5mraB-3q3cA:
18.79
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 TYR A 437
THR A 377
ASP A 384
GLY A 389
 None
None
CA  A   1 (-3.1A)
None
 0.82A 5mraA-3q5iA:
undetectable
5mraB-3q5iA:
undetectable		 5mraA-3q5iA:
14.72
5mraB-3q5iA:
14.72
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.
3qtd PMBA PROTEIN

(Pseudomonas
aeruginosa) 		PF01523
(PmbA_TldD) 		4 PHE A 351
ARG A 430
ASP A 427
GLY A 425
 None
 1.16A 5mraA-3qtdA:
undetectable
5mraB-3qtdA:
undetectable		 5mraA-3qtdA:
16.52
5mraB-3qtdA:
16.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u1w HYPOTHETICAL
PERIPLASMIC PROTEIN

(Parabacteroides
distasonis) 		PF11396
(PepSY_like) 		4 TYR A 255
THR A 253
ASP A 271
GLY A 274
 None
 1.06A 5mraA-3u1wA:
undetectable
5mraB-3u1wA:
undetectable		 5mraA-3u1wA:
21.64
5mraB-3u1wA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w5i FERROUS IRON
TRANSPORT PROTEIN B

(Gallionella
capsiferriformans) 		PF02421
(FeoB_N) 		4 THR A 158
ARG A 162
ASP A  48
GLY A  46
 None
 1.05A 5mraA-3w5iA:
undetectable
5mraB-3w5iA:
undetectable		 5mraA-3w5iA:
20.27
5mraB-3w5iA:
20.27
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.
3zyj NETRIN-G1

(Homo sapiens) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		4 TYR B 178
THR B 151
ASP B 271
GLY B 179
 None
 1.20A 5mraA-3zyjB:
undetectable
5mraB-3zyjB:
undetectable		 5mraA-3zyjB:
18.90
5mraB-3zyjB:
18.90
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 THR A 217
ARG A 153
ASP A 210
GLY A 189
 None
None
SAM  A1349 (-2.9A)
SAM  A1349 ( 3.8A)
 1.25A 5mraA-4a6eA:
undetectable
5mraB-4a6eA:
undetectable		 5mraA-4a6eA:
19.49
5mraB-4a6eA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4co6 NUCLEOPROTEIN
PHOSPHOPROTEIN

(Nipah
henipavirus) 		PF00973
(Paramyxo_ncap)
PF14313
(Soyouz_module) 		4 PHE A 273
THR A 277
ASP D   9
GLY D  10
 None
 1.17A 5mraA-4co6A:
undetectable
5mraB-4co6A:
undetectable		 5mraA-4co6A:
17.90
5mraB-4co6A:
17.90
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.
4dza LYSINE RACEMASE

(Proteus
mirabilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 TYR A  78
PHE A 265
ASP A  76
GLY A  79
 LLP  A  74 ( 4.4A)
None
None
None
 1.13A 5mraA-4dzaA:
undetectable
5mraB-4dzaA:
undetectable		 5mraA-4dzaA:
18.67
5mraB-4dzaA:
18.67
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.
4ejy 3-METHYLADENINE DNA
GLYCOSYLASE

(Caldanaerobacter
subterraneus) 		PF00730
(HhH-GPD)
PF07934
(OGG_N) 		4 TYR A  84
PHE A  20
ASP A  83
GLY A  85
 None
 1.24A 5mraA-4ejyA:
undetectable
5mraB-4ejyA:
undetectable		 5mraA-4ejyA:
19.69
5mraB-4ejyA:
19.69
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		4 PHE A 175
ARG A 184
ASP A 139
GLY A 181
 AMP  A 401 (-3.8A)
None
None
None
 1.18A 5mraA-4eysA:
undetectable
5mraB-4eysA:
undetectable		 5mraA-4eysA:
17.29
5mraB-4eysA:
17.29
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.
4i2y RGECO1

(Discosoma sp.;
Gallus gallus;
Rattus
norvegicus) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		4 TYR A 441
ARG A 393
ASP A 396
GLY A 401
 None
None
CA  A 503 (-3.3A)
None
 0.96A 5mraA-4i2yA:
undetectable
5mraB-4i2yA:
3.2		 5mraA-4i2yA:
15.78
5mraB-4i2yA:
15.78
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.
4iqy O-ACETYL-ADP-RIBOSE
DEACETYLASE MACROD2

(Homo sapiens) 		PF01661
(Macro) 		4 THR A  80
ARG A  32
ASP A 135
GLY A 110
 AR6  A 301 ( 4.8A)
None
None
None
 0.84A 5mraA-4iqyA:
undetectable
5mraB-4iqyA:
undetectable		 5mraA-4iqyA:
20.33
5mraB-4iqyA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lhe THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Bacillus sp.
H-257) 		PF12146
(Hydrolase_4) 		4 TYR A 159
THR A  60
ARG A  54
GLY A  31
 None
None
None
CL  A 301 ( 3.9A)
 1.10A 5mraA-4lheA:
undetectable
5mraB-4lheA:
undetectable		 5mraA-4lheA:
20.97
5mraB-4lheA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mn5 SENSOR PROTEIN
KINASE WALK

(Staphylococcus
aureus) 		PF13426
(PAS_9) 		4 TYR A 359
ARG A 281
ASP A 280
GLY A 283
 None
 0.83A 5mraA-4mn5A:
undetectable
5mraB-4mn5A:
undetectable		 5mraA-4mn5A:
20.97
5mraB-4mn5A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mn6 SENSOR PROTEIN
KINASE WALK

(Staphylococcus
aureus) 		PF13426
(PAS_9) 		4 TYR A 359
ARG A 281
ASP A 280
GLY A 283
 None
 0.87A 5mraA-4mn6A:
undetectable
5mraB-4mn6A:
undetectable		 5mraA-4mn6A:
23.38
5mraB-4mn6A:
23.38
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.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		4 TYR A 278
THR A 252
ARG A 255
GLY A 275
 None
 1.05A 5mraA-4n4kA:
undetectable
5mraB-4n4kA:
undetectable		 5mraA-4n4kA:
13.31
5mraB-4n4kA:
13.31
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.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 PHE A 320
THR A 160
ASP A 237
GLY A 240
 None
 1.22A 5mraA-4o99A:
undetectable
5mraB-4o99A:
undetectable		 5mraA-4o99A:
18.97
5mraB-4o99A:
18.97
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.
4ozs ALPHA SOLENOID
PROTEIN

(synthetic
construct) 		PF12854
(PPR_1)
PF13041
(PPR_2) 		4 PHE A  60
THR A  74
ASP A  80
GLY A  81
 None
 1.20A 5mraA-4ozsA:
undetectable
5mraB-4ozsA:
undetectable		 5mraA-4ozsA:
20.22
5mraB-4ozsA:
20.22
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.
4ozs ALPHA SOLENOID
PROTEIN

(synthetic
construct) 		PF12854
(PPR_1)
PF13041
(PPR_2) 		4 PHE A  95
THR A 109
ASP A 115
GLY A 116
 None
 1.26A 5mraA-4ozsA:
undetectable
5mraB-4ozsA:
undetectable		 5mraA-4ozsA:
20.22
5mraB-4ozsA:
20.22
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.
4p62 METALLO-BETA-LACTAMA
SE AIM-1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 TYR A 227
PHE A 231
ASP A 221
GLY A 226
 None
 1.22A 5mraA-4p62A:
undetectable
5mraB-4p62A:
undetectable		 5mraA-4p62A:
18.54
5mraB-4p62A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4poi PUTATIVE PERIPLASMIC
PROTEIN

(Bacteroides
caccae) 		PF11396
(PepSY_like) 		4 TYR A  65
THR A  63
ASP A  78
GLY A  81
 None
 1.10A 5mraA-4poiA:
undetectable
5mraB-4poiA:
undetectable		 5mraA-4poiA:
21.47
5mraB-4poiA:
21.47
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.
4qa8 PUTATIVE LIPOPROTEIN
LPRF

(Mycobacterium
bovis) 		PF07161
(LppX_LprAFG) 		4 THR A 134
ARG A 136
ASP A 139
GLY A 138
 PJZ  A 301 ( 4.4A)
None
None
None
 1.21A 5mraA-4qa8A:
undetectable
5mraB-4qa8A:
undetectable		 5mraA-4qa8A:
20.89
5mraB-4qa8A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Chloroflexus
aurantiacus) 		PF13407
(Peripla_BP_4) 		4 PHE A 153
ARG A  64
ASP A 273
GLY A 296
 None
BGC  A 402 (-3.9A)
None
None
 1.25A 5mraA-4rxuA:
undetectable
5mraB-4rxuA:
undetectable		 5mraA-4rxuA:
18.95
5mraB-4rxuA:
18.95
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		4 THR A 127
ARG A 129
ASP A  66
GLY A  71
 None
 1.08A 5mraA-4tqkA:
undetectable
5mraB-4tqkA:
undetectable		 5mraA-4tqkA:
18.72
5mraB-4tqkA:
18.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u8d SORCIN

(Homo sapiens) 		PF13405
(EF-hand_6)
PF13833
(EF-hand_8) 		4 THR A 170
ARG A 174
ASP A 177
GLY A 182
 None
 0.58A 5mraA-4u8dA:
23.2
5mraB-4u8dA:
22.3		 5mraA-4u8dA:
84.34
5mraB-4u8dA:
84.34
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.
4upl SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 PHE A   8
THR A 204
ASP A 133
GLY A 135
 None
 1.24A 5mraA-4uplA:
undetectable
5mraB-4uplA:
undetectable		 5mraA-4uplA:
13.40
5mraB-4uplA:
13.40
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.
4upl SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 THR A  98
ARG A 132
ASP A 133
GLY A 135
 None
 1.08A 5mraA-4uplA:
undetectable
5mraB-4uplA:
undetectable		 5mraA-4uplA:
13.40
5mraB-4uplA:
13.40
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		4 THR A 219
ARG A 159
ASP A 158
GLY A 225
 None
 1.24A 5mraA-4v1yA:
undetectable
5mraB-4v1yA:
undetectable		 5mraA-4v1yA:
14.97
5mraB-4v1yA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v20 CELLOBIOHYDROLASE

(Aspergillus
fumigatus) 		PF00840
(Glyco_hydro_7) 		4 THR A 246
ARG A 251
ASP A 250
GLY A 253
 U63  A1443 (-4.0A)
U63  A1443 (-3.0A)
None
None
 0.81A 5mraA-4v20A:
undetectable
5mraB-4v20A:
undetectable		 5mraA-4v20A:
16.82
5mraB-4v20A:
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.
4ys6 PUTATIVE
SOLUTE-BINDING
COMPONENT OF ABC
TRANSPORTER

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		4 PHE A 118
ARG A  29
ASP A 226
GLY A 249
 None
BGC  A 403 (-4.0A)
None
None
 1.21A 5mraA-4ys6A:
undetectable
5mraB-4ys6A:
undetectable		 5mraA-4ys6A:
21.64
5mraB-4ys6A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 TYR A 216
THR A 168
ASP A 215
GLY A 214
 GGL  A 601 (-4.0A)
GGL  A 601 (-3.0A)
None
None
 1.22A 5mraA-5cniA:
0.9
5mraB-5cniA:
0.8		 5mraA-5cniA:
14.69
5mraB-5cniA:
14.69
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.
5cov NAEGLERIA GRUBERI
RNA LIGASE

(Naegleria
gruberi) 		PF09414
(RNA_ligase) 		4 PHE A  50
THR A 114
ASP A 111
GLY A 110
 None
 1.23A 5mraA-5covA:
undetectable
5mraB-5covA:
undetectable		 5mraA-5covA:
18.79
5mraB-5covA:
18.79
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.
5d39 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 6

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		4 THR A 267
ARG A 266
ASP A 262
GLY A 259
 None
 0.89A 5mraA-5d39A:
undetectable
5mraB-5d39A:
undetectable		 5mraA-5d39A:
16.14
5mraB-5d39A:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dx5 METHIONINE
GAMMA-LYASE

(Clostridium
sporogenes) 		PF01053
(Cys_Met_Meta_PP) 		4 TYR A 213
PHE A 190
ASP A 344
GLY A 216
 None
PLP  A 501 (-4.4A)
None
None
 1.04A 5mraA-5dx5A:
undetectable
5mraB-5dx5A:
undetectable		 5mraA-5dx5A:
18.11
5mraB-5dx5A:
18.11
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.
5ec0 ALP7A

(Bacillus
subtilis) 		no annotation 4 TYR A  15
PHE A 101
ASP A   9
GLY A  11
 None
None
MG  A 404 ( 4.1A)
ADP  A 403 (-3.5A)
 1.13A 5mraA-5ec0A:
undetectable
5mraB-5ec0A:
undetectable		 5mraA-5ec0A:
20.11
5mraB-5ec0A:
20.11
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.
5f38 ACETYL-COA
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 PHE B 320
THR B 161
ASP B 237
GLY B 240
 COZ  B 401 (-4.6A)
None
None
None
 1.22A 5mraA-5f38B:
undetectable
5mraB-5f38B:
undetectable		 5mraA-5f38B:
17.60
5mraB-5f38B:
17.60
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.
5j7u MAJOR CAPSID PROTEIN

(Faustovirus) 		PF04451
(Capsid_NCLDV) 		4 PHE A 599
THR A 520
ASP A 562
GLY A 564
 None
 1.19A 5mraA-5j7uA:
undetectable
5mraB-5j7uA:
undetectable		 5mraA-5j7uA:
14.00
5mraB-5j7uA:
14.00
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.
5kku POLYKETIDE SYNTHASE
TYPE I

(Bacillus
amyloliquefaciens) 		PF14765
(PS-DH) 		4 TYR A 238
THR A 236
ASP A 267
GLY A 270
 None
 1.15A 5mraA-5kkuA:
undetectable
5mraB-5kkuA:
undetectable		 5mraA-5kkuA:
20.27
5mraB-5kkuA:
20.27
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.
5lk4 MSCARLET

(Discosoma sp.) 		PF01353
(GFP) 		4 THR A 148
ARG A 150
ASP A 161
GLY A 160
 PGE  A 306 (-4.7A)
PO4  A 302 (-3.0A)
None
None
 0.95A 5mraA-5lk4A:
undetectable
5mraB-5lk4A:
undetectable		 5mraA-5lk4A:
20.72
5mraB-5lk4A:
20.72
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 4 TYR A 766
PHE A 731
THR A 737
GLY A 765
 None
None
None
EDO  A1023 ( 4.5A)
 1.05A 5mraA-5nn8A:
undetectable
5mraB-5nn8A:
undetectable		 5mraA-5nn8A:
10.93
5mraB-5nn8A:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT

(Homo sapiens) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		4 TYR B 674
PHE B 728
ARG B 487
GLY B 675
 None
 0.98A 5mraA-5of4B:
undetectable
5mraB-5of4B:
undetectable		 5mraA-5of4B:
12.24
5mraB-5of4B:
12.24
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.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 THR D1065
ARG D1054
ASP D1101
GLY D1102
 None
 1.25A 5mraA-5uheD:
undetectable
5mraB-5uheD:
undetectable		 5mraA-5uheD:
8.89
5mraB-5uheD:
8.89
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.
5ve9 MICROTUBULE-ACTIN
CROSS-LINKING FACTOR
1, ISOFORMS 1/2/3/5

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 TYR A7099
ARG A7051
ASP A7054
GLY A7059
 None
None
CA  A7201 (-3.6A)
None
 0.98A 5mraA-5ve9A:
3.2
5mraB-5ve9A:
5.3		 5mraA-5ve9A:
19.21
5mraB-5ve9A:
19.21
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.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 PHE A2378
ARG A2355
ASP A2356
GLY A2358
 None
 1.26A 5mraA-5y2aA:
undetectable
5mraB-5y2aA:
undetectable		 5mraA-5y2aA:
16.67
5mraB-5y2aA:
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.
5y4k DMSP LYASE DDDY

(Acinetobacter
bereziniae) 		no annotation 4 TYR A 223
PHE A 340
THR A 252
GLY A 222
 None
 1.14A 5mraA-5y4kA:
undetectable
5mraB-5y4kA:
undetectable		 5mraA-5y4kA:
15.40
5mraB-5y4kA:
15.40
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.
6dbr -

(-) 		no annotation 4 TYR B 277
PHE B 318
THR B 316
GLY B 275
 None
 1.19A 5mraA-6dbrB:
undetectable
5mraB-6dbrB:
undetectable		 5mraA-6dbrB:
undetectable
5mraB-6dbrB:
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 4 THR A 738
ARG A 644
ASP A 637
GLY A 443
 None
None
B7E  A 901 (-2.6A)
B7E  A 901 ( 3.8A)
 1.19A 5mraA-6ej2A:
undetectable
5mraB-6ej2A:
undetectable		 5mraA-6ej2A:
20.96
5mraB-6ej2A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6epd PROTEASOME SUBUNIT
BETA TYPE-4

(Rattus
norvegicus) 		no annotation 4 PHE 7 104
THR 7  53
ASP 7 100
GLY 7  99
 None
 1.24A 5mraA-6epd7:
1.2
5mraB-6epd7:
undetectable		 5mraA-6epd7:
18.56
5mraB-6epd7:
18.56
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 TYR A 108
PHE A 581
ASP A 571
GLY A 570
 None
 1.15A 5mraA-6etzA:
undetectable
5mraB-6etzA:
undetectable		 5mraA-6etzA:
19.16
5mraB-6etzA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
8, MITOCHONDRIAL

(Mus musculus) 		no annotation 4 TYR l  12
ARG l  19
ASP l  45
GLY l  44
 None
 0.94A 5mraA-6g72l:
undetectable
5mraB-6g72l:
undetectable		 5mraA-6g72l:
18.79
5mraB-6g72l:
18.79