SIMILAR PATTERNS OF AMINO ACIDS FOR 3MBG_A_ACTA207

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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		4 LEU A 141
ASP A  99
THR A 138
ALA A 139
 None
 1.33A 3mbgA-1a0dA:
undetectable
3mbgB-1a0dA:
undetectable		 3mbgA-1a0dA:
14.11
3mbgB-1a0dA:
14.11
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 LEU A 502
ARG A 501
THR A 407
ALA A 498
 None
 1.23A 3mbgA-1c30A:
0.0
3mbgB-1c30A:
0.0		 3mbgA-1c30A:
8.29
3mbgB-1c30A:
8.29
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.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		4 GLU A 181
LEU A 185
THR A 116
ALA A 117
 None
 1.33A 3mbgA-1h79A:
0.0
3mbgB-1h79A:
0.0		 3mbgA-1h79A:
12.42
3mbgB-1h79A:
12.42
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.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 LEU L 281
ASP L 308
ARG L 312
THR L 316
 None
 1.23A 3mbgA-1kfuL:
0.0
3mbgB-1kfuL:
0.0		 3mbgA-1kfuL:
10.30
3mbgB-1kfuL:
10.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		4 GLU A 380
LEU A 420
ARG A 419
THR A 416
 None
 1.30A 3mbgA-1lfwA:
0.0
3mbgB-1lfwA:
0.0		 3mbgA-1lfwA:
12.13
3mbgB-1lfwA:
12.13
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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 LEU A  29
ASP A  78
THR A  31
ALA A  83
 None
 1.27A 3mbgA-1nrkA:
undetectable
3mbgB-1nrkA:
undetectable		 3mbgA-1nrkA:
16.92
3mbgB-1nrkA:
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.
1nze OXYGEN-EVOLVING
ENHANCER PROTEIN 3

(Spinacia
oleracea) 		PF05757
(PsbQ) 		4 LEU A  43
ASP A  88
THR A  91
ALA A  48
 None
 1.09A 3mbgA-1nzeA:
1.1
3mbgB-1nzeA:
1.1		 3mbgA-1nzeA:
20.12
3mbgB-1nzeA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 GLU A 118
ASP A 113
THR A  96
ALA A  58
 None
 1.12A 3mbgA-1p1mA:
0.5
3mbgB-1p1mA:
0.5		 3mbgA-1p1mA:
13.45
3mbgB-1p1mA:
13.45
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 GLU A 182
ASP A 216
ARG A 181
ALA A 214
 CA  A 909 ( 2.5A)
CA  A 909 ( 2.6A)
None
CA  A 908 (-4.7A)
 0.65A 3mbgA-1q5aA:
undetectable
3mbgB-1q5aA:
undetectable		 3mbgA-1q5aA:
8.67
3mbgB-1q5aA:
8.67
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 GLU A 530
LEU A 583
THR A 587
ALA A 586
 None
 1.30A 3mbgA-1qgrA:
0.0
3mbgB-1qgrA:
0.0		 3mbgA-1qgrA:
9.02
3mbgB-1qgrA:
9.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 GLU A 495
ARG A 366
THR A 780
ALA A 650
 None
 1.32A 3mbgA-1qxpA:
0.0
3mbgB-1qxpA:
0.0		 3mbgA-1qxpA:
9.44
3mbgB-1qxpA:
9.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r4w GLUTATHIONE
S-TRANSFERASE,
MITOCHONDRIAL

(Rattus
norvegicus) 		PF01323
(DSBA) 		4 GLU A   9
ARG A  40
THR A 171
ALA A 174
 None
 1.05A 3mbgA-1r4wA:
0.1
3mbgB-1r4wA:
0.0		 3mbgA-1r4wA:
20.09
3mbgB-1r4wA:
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.
1ug2 2610100B20RIK GENE
PRODUCT

(Mus musculus) 		PF13921
(Myb_DNA-bind_6) 		4 LEU A  65
ASP A  41
THR A  37
ALA A  40
 None
 1.27A 3mbgA-1ug2A:
undetectable
3mbgB-1ug2A:
undetectable		 3mbgA-1ug2A:
20.57
3mbgB-1ug2A:
20.57
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.
1v71 HYPOTHETICAL PROTEIN
C320.14 IN
CHROMOSOME III

(Schizosaccharomyces
pombe) 		PF00291
(PALP) 		4 GLU A 208
LEU A 242
ASP A 214
THR A 239
 MG  A 360 (-3.2A)
None
MG  A 360 (-2.8A)
None
 1.00A 3mbgA-1v71A:
undetectable
3mbgB-1v71A:
undetectable		 3mbgA-1v71A:
19.56
3mbgB-1v71A:
19.56
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.
1ve5 THREONINE DEAMINASE

(Thermus
thermophilus) 		PF00291
(PALP) 		4 GLU A 203
LEU A 238
ASP A 209
THR A 235
 CA  A2001 (-3.6A)
None
CA  A2001 (-2.9A)
None
 0.91A 3mbgA-1ve5A:
undetectable
3mbgB-1ve5A:
undetectable		 3mbgA-1ve5A:
16.72
3mbgB-1ve5A:
16.72
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.
1y8q UBIQUITIN-LIKE 2
ACTIVATING ENZYME
E1B

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL)
PF16195
(UBA2_C) 		4 GLU B 214
ASP B 212
THR B 174
ALA B 173
 None
 1.09A 3mbgA-1y8qB:
undetectable
3mbgB-1y8qB:
2.2		 3mbgA-1y8qB:
11.88
3mbgB-1y8qB:
11.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ygm HYPOTHETICAL PROTEIN
BSU31320

(Bacillus
subtilis) 		PF11458
(Mistic) 		4 GLU A 105
ASP A  68
THR A  71
ALA A  72
 None
 1.32A 3mbgA-1ygmA:
undetectable
3mbgB-1ygmA:
undetectable		 3mbgA-1ygmA:
24.14
3mbgB-1ygmA:
24.14
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.
1yvp 60-KDA SS-A/RO
RIBONUCLEOPROTEIN

(Xenopus laevis) 		PF05731
(TROVE) 		4 LEU A 341
ASP A 291
THR A 289
ALA A 290
 None
 1.23A 3mbgA-1yvpA:
undetectable
3mbgB-1yvpA:
undetectable		 3mbgA-1yvpA:
13.83
3mbgB-1yvpA:
13.83
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 GLU A 489
ARG A 477
THR A 472
ALA A 474
 None
 1.21A 3mbgA-2b5mA:
undetectable
3mbgB-2b5mA:
undetectable		 3mbgA-2b5mA:
8.61
3mbgB-2b5mA:
8.61
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.
2b5n DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF10433
(MMS1_N) 		4 GLU A 489
ARG A 477
THR A 472
ALA A 474
 None
 0.89A 3mbgA-2b5nA:
undetectable
3mbgB-2b5nA:
undetectable		 3mbgA-2b5nA:
16.00
3mbgB-2b5nA:
16.00
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLU A 177
LEU A  48
ARG A 181
ALA A  47
 None
 1.25A 3mbgA-2bc0A:
undetectable
3mbgB-2bc0A:
undetectable		 3mbgA-2bc0A:
15.71
3mbgB-2bc0A:
15.71
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.
2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE

(Bacillus
circulans) 		PF01041
(DegT_DnrJ_EryC1) 		4 GLU A  24
LEU A 259
LYS A  46
ALA A 256
 None
 1.20A 3mbgA-2c81A:
undetectable
3mbgB-2c81A:
undetectable		 3mbgA-2c81A:
14.83
3mbgB-2c81A:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		4 ASP A 157
ARG A 159
THR A 182
ALA A 185
 None
 1.33A 3mbgA-2cc1A:
undetectable
3mbgB-2cc1A:
undetectable		 3mbgA-2cc1A:
16.85
3mbgB-2cc1A:
16.85
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		4 LEU A 208
ASP A 288
ARG A 345
ALA A 290
 None
None
ACR  A 995 (-3.0A)
None
 1.14A 3mbgA-2f6dA:
undetectable
3mbgB-2f6dA:
undetectable		 3mbgA-2f6dA:
12.60
3mbgB-2f6dA:
12.60
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.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 LEU A 293
ARG A 267
THR A 265
ALA A 260
 None
 1.29A 3mbgA-2hlpA:
undetectable
3mbgB-2hlpA:
undetectable		 3mbgA-2hlpA:
17.59
3mbgB-2hlpA:
17.59
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 GLU A 149
LEU A 132
ASP A 169
ARG A 129
 MG  A1224 (-3.0A)
None
MG  A1224 (-2.4A)
None
 1.24A 3mbgA-2hpiA:
undetectable
3mbgB-2hpiA:
undetectable		 3mbgA-2hpiA:
8.12
3mbgB-2hpiA:
8.12
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.
2mki CYTOPLASMIC
POLYADENYLATION
ELEMENT-BINDING
PROTEIN 4

(Homo sapiens) 		PF16367
(RRM_7) 		4 LEU A 169
ARG A 219
THR A 174
ALA A 221
 None
 0.92A 3mbgA-2mkiA:
undetectable
3mbgB-2mkiA:
undetectable		 3mbgA-2mkiA:
19.21
3mbgB-2mkiA:
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.
2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 LEU A 198
ASP A 135
ARG A 138
ALA A 189
 EDO  A 971 ( 4.1A)
None
None
None
 1.15A 3mbgA-2ng1A:
4.9
3mbgB-2ng1A:
4.9		 3mbgA-2ng1A:
19.32
3mbgB-2ng1A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2osy ENDOGLYCOCERAMIDASE
II

(Rhodococcus sp.) 		PF00150
(Cellulase) 		4 GLU A 206
ARG A 255
THR A 256
ALA A 259
 None
 1.31A 3mbgA-2osyA:
undetectable
3mbgB-2osyA:
undetectable		 3mbgA-2osyA:
14.59
3mbgB-2osyA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 LEU A 220
ASP A 187
ARG A 222
ALA A 186
 None
 1.28A 3mbgA-2p2mA:
undetectable
3mbgB-2p2mA:
undetectable		 3mbgA-2p2mA:
12.42
3mbgB-2p2mA:
12.42
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.
2p2w CITRATE SYNTHASE

(Thermotoga
maritima) 		PF00285
(Citrate_synt) 		4 LEU A 111
LYS A 109
ARG A 112
ALA A 115
 None
 1.17A 3mbgA-2p2wA:
1.4
3mbgB-2p2wA:
1.2		 3mbgA-2p2wA:
17.31
3mbgB-2p2wA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqq PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00027
(cNMP_binding) 		4 LEU A  57
ARG A  89
THR A  90
ALA A  91
 None
 1.24A 3mbgA-2pqqA:
undetectable
3mbgB-2pqqA:
undetectable		 3mbgA-2pqqA:
24.84
3mbgB-2pqqA:
24.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qkw PROTEIN KINASE

(Solanum
pimpinellifolium) 		PF07714
(Pkinase_Tyr) 		4 GLU B 211
ASP B 209
ARG B 217
THR B 219
 None
 1.23A 3mbgA-2qkwB:
1.7
3mbgB-2qkwB:
1.7		 3mbgA-2qkwB:
16.10
3mbgB-2qkwB:
16.10
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.
2qmo DETHIOBIOTIN
SYNTHETASE

(Helicobacter
pylori) 		PF13500
(AAA_26) 		4 LEU A  33
ARG A  18
THR A  14
ALA A  17
 None
None
CL  A 302 (-4.0A)
None
 1.10A 3mbgA-2qmoA:
undetectable
3mbgB-2qmoA:
undetectable		 3mbgA-2qmoA:
16.97
3mbgB-2qmoA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9l PUTATIVE DNA
LIGASE-LIKE PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 GLU A 259
LEU A 268
THR A 171
ALA A 253
 None
 1.18A 3mbgA-2r9lA:
undetectable
3mbgB-2r9lA:
undetectable		 3mbgA-2r9lA:
22.03
3mbgB-2r9lA:
22.03
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.
2vdt LEVANSUCRASE

(Bacillus
subtilis) 		PF02435
(Glyco_hydro_68) 		4 ASP A 247
ARG A 246
THR A 180
ALA A 164
 None
 1.26A 3mbgA-2vdtA:
undetectable
3mbgB-2vdtA:
undetectable		 3mbgA-2vdtA:
15.59
3mbgB-2vdtA:
15.59
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.
2x56 COAGULASE/FIBRINOLYS
IN

(Yersinia pestis) 		PF01278
(Omptin) 		4 LYS A 240
ASP A  56
THR A  15
ALA A  17
 None
 1.26A 3mbgA-2x56A:
undetectable
3mbgB-2x56A:
undetectable		 3mbgA-2x56A:
18.38
3mbgB-2x56A:
18.38
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.
2xfx MHC CLASS 1

(Bos taurus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 GLU A  19
LEU A  72
ARG A  75
ALA A  71
 None
 1.27A 3mbgA-2xfxA:
undetectable
3mbgB-2xfxA:
undetectable		 3mbgA-2xfxA:
23.97
3mbgB-2xfxA:
23.97
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		4 ASP A  23
ARG A  26
THR A  30
ALA A  27
 CA  A 401 (-3.0A)
MES  A 301 (-3.7A)
None
MES  A 301 (-4.6A)
 1.30A 3mbgA-2z0jA:
undetectable
3mbgB-2z0jA:
undetectable		 3mbgA-2z0jA:
18.99
3mbgB-2z0jA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA

(Shigella
dysenteriae) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLU A 356
ARG A  13
THR A   5
ALA A   8
 None
 1.29A 3mbgA-3fhhA:
undetectable
3mbgB-3fhhA:
undetectable		 3mbgA-3fhhA:
12.48
3mbgB-3fhhA:
12.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 GLU A 366
LEU A 362
THR A 390
ALA A 346
 None
None
U  C   3 ( 2.9A)
None
 1.30A 3mbgA-3fhtA:
undetectable
3mbgB-3fhtA:
undetectable		 3mbgA-3fhtA:
16.48
3mbgB-3fhtA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fok UNCHARACTERIZED
PROTEIN CGL0159

(Corynebacterium
glutamicum) 		no annotation 4 GLU A 182
LEU A  89
THR A 271
ALA A  48
 None
 1.30A 3mbgA-3fokA:
undetectable
3mbgB-3fokA:
undetectable		 3mbgA-3fokA:
17.47
3mbgB-3fokA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3he1 MAJOR EXPORTED HCP3
PROTEIN

(Pseudomonas
aeruginosa) 		PF05638
(T6SS_HCP) 		4 LEU A  81
ASP A  75
THR A  18
ALA A  77
 None
 1.16A 3mbgA-3he1A:
undetectable
3mbgB-3he1A:
undetectable		 3mbgA-3he1A:
26.06
3mbgB-3he1A:
26.06
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.
3ifq PLAKOGLOBIN

(Homo sapiens) 		PF00514
(Arm) 		4 LEU A 373
ARG A 377
THR A 414
ALA A 411
 None
 1.33A 3mbgA-3ifqA:
undetectable
3mbgB-3ifqA:
undetectable		 3mbgA-3ifqA:
13.63
3mbgB-3ifqA:
13.63
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.
3k2i ACYL-COENZYME A
THIOESTERASE 4

(Homo sapiens) 		PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C) 		4 LEU A 178
ASP A 162
ARG A 174
ALA A 175
 None
 1.19A 3mbgA-3k2iA:
undetectable
3mbgB-3k2iA:
undetectable		 3mbgA-3k2iA:
15.82
3mbgB-3k2iA:
15.82
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Homo sapiens) 		PF01409
(tRNA-synt_2d) 		4 GLU A 360
ASP A 275
ARG A 358
ALA A 270
 None
 1.27A 3mbgA-3l4gA:
undetectable
3mbgB-3l4gA:
undetectable		 3mbgA-3l4gA:
15.46
3mbgB-3l4gA:
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.
3ppu GLUTATHIONE-S-TRANSF
ERASE

(Phanerochaete
chrysosporium) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 LEU A 144
LYS A 147
ASP A 133
ALA A 138
 None
 1.16A 3mbgA-3ppuA:
undetectable
3mbgB-3ppuA:
undetectable		 3mbgA-3ppuA:
16.47
3mbgB-3ppuA:
16.47
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.
3s6i DNA-3-METHYLADENINE
GLYCOSYLASE 1

(Schizosaccharomyces
pombe) 		PF00730
(HhH-GPD) 		4 LEU A 193
ASP A 169
ARG A 149
ALA A 168
 None
 1.30A 3mbgA-3s6iA:
undetectable
3mbgB-3s6iA:
undetectable		 3mbgA-3s6iA:
20.51
3mbgB-3s6iA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sf6 GLUTARYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 LEU A 171
ARG A 161
THR A 163
ALA A 162
 None
 1.30A 3mbgA-3sf6A:
undetectable
3mbgB-3sf6A:
undetectable		 3mbgA-3sf6A:
14.81
3mbgB-3sf6A:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(uncultured
archaeon;
uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		4 GLU C 227
LEU A 448
THR C 237
ALA C 238
 None
 1.27A 3mbgA-3sqgC:
undetectable
3mbgB-3sqgC:
undetectable		 3mbgA-3sqgC:
17.67
3mbgB-3sqgC:
17.67
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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 LEU A 159
ARG A 300
THR A 163
ALA A 299
 None
 1.34A 3mbgA-3sxfA:
undetectable
3mbgB-3sxfA:
undetectable		 3mbgA-3sxfA:
15.92
3mbgB-3sxfA:
15.92
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.
3t5b PROBABLE
CHAIN-FATTY-ACID-COA
LIGASE FADD13

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		4 GLU A 148
ARG A   9
THR A  13
ALA A  12
 None
 1.10A 3mbgA-3t5bA:
undetectable
3mbgB-3t5bA:
undetectable		 3mbgA-3t5bA:
15.66
3mbgB-3t5bA:
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.
3t5b PROBABLE
CHAIN-FATTY-ACID-COA
LIGASE FADD13

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		4 GLU A 148
LEU A   8
ARG A   9
ALA A  12
 None
 1.04A 3mbgA-3t5bA:
undetectable
3mbgB-3t5bA:
undetectable		 3mbgA-3t5bA:
15.66
3mbgB-3t5bA:
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.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 LEU A  65
ARG A  47
THR A 212
ALA A  66
 None
SO4  A   4 (-2.8A)
None
None
 1.32A 3mbgA-3v5rA:
undetectable
3mbgB-3v5rA:
undetectable		 3mbgA-3v5rA:
12.67
3mbgB-3v5rA:
12.67
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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 LEU A 119
ASP A 178
ARG A 180
ALA A 181
 None
 1.19A 3mbgA-3vtfA:
undetectable
3mbgB-3vtfA:
undetectable		 3mbgA-3vtfA:
13.96
3mbgB-3vtfA:
13.96
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.
3w1y MICROTUBULE-ASSOCIAT
ED PROTEIN 1A/1B,
LIGHT CHAIN 3

(Trypanosoma
brucei) 		PF02991
(Atg8) 		4 LEU A  68
ARG A  24
THR A  20
ALA A  23
 None
 1.30A 3mbgA-3w1yA:
undetectable
3mbgB-3w1yA:
undetectable		 3mbgA-3w1yA:
23.97
3mbgB-3w1yA:
23.97
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.
3wpw POMB

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		4 GLU A 192
LEU A 247
ARG A 294
THR A 231
 None
 1.25A 3mbgA-3wpwA:
undetectable
3mbgB-3wpwA:
undetectable		 3mbgA-3wpwA:
16.84
3mbgB-3wpwA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wsb FARNESYLTRANSFERASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF00494
(SQS_PSY) 		4 LEU A 113
ARG A  68
THR A  72
ALA A  69
 None
 1.07A 3mbgA-3wsbA:
2.7
3mbgB-3wsbA:
2.7		 3mbgA-3wsbA:
17.76
3mbgB-3wsbA:
17.76
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.
3zg1 NICKEL AND COBALT
RESISTANCE PROTEIN
CNRR

(Cupriavidus
metallidurans) 		PF13801
(Metal_resist) 		4 LEU A 112
ARG A  70
THR A 116
ALA A 115
 None
 1.29A 3mbgA-3zg1A:
2.3
3mbgB-3zg1A:
undetectable		 3mbgA-3zg1A:
21.26
3mbgB-3zg1A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bom ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		4 GLU A 196
ARG A 208
THR A 210
ALA A 211
 None
 1.07A 3mbgA-4bomA:
undetectable
3mbgB-4bomA:
undetectable		 3mbgA-4bomA:
12.55
3mbgB-4bomA:
12.55
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		4 GLU A 562
LEU A 553
ARG A  32
ALA A  31
 None
 1.30A 3mbgA-4c4aA:
undetectable
3mbgB-4c4aA:
undetectable		 3mbgA-4c4aA:
12.02
3mbgB-4c4aA:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fas HYDROXYLAMINE
OXIDOREDUCTASE

(Nitrosomonas
europaea) 		PF13447
(Multi-haem_cyto) 		4 LEU A  13
ASP A 188
ARG A 187
ALA A  12
 None
None
PEG  A 610 ( 4.8A)
None
 1.14A 3mbgA-4fasA:
undetectable
3mbgB-4fasA:
undetectable		 3mbgA-4fasA:
12.82
3mbgB-4fasA:
12.82
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 LEU A 541
ARG A 489
THR A 491
ALA A 490
 None
 1.23A 3mbgA-4i3gA:
undetectable
3mbgB-4i3gA:
undetectable		 3mbgA-4i3gA:
9.77
3mbgB-4i3gA:
9.77
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.
4mx8 PERIPLASMIC BINDING
PROTEIN

(Xylanimonas
cellulosilytica) 		PF01497
(Peripla_BP_2) 		4 ASP A 251
ARG A 250
THR A 254
ALA A 256
 None
 1.22A 3mbgA-4mx8A:
undetectable
3mbgB-4mx8A:
undetectable		 3mbgA-4mx8A:
16.35
3mbgB-4mx8A:
16.35
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.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		4 LEU A 213
ARG A 134
THR A 140
ALA A 132
 None
CL  A 304 (-4.1A)
None
None
 1.06A 3mbgA-4o5fA:
undetectable
3mbgB-4o5fA:
undetectable		 3mbgA-4o5fA:
21.74
3mbgB-4o5fA:
21.74
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.
4oqs CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		4 GLU A 130
ARG A 364
THR A 363
ALA A 367
 None
 1.12A 3mbgA-4oqsA:
undetectable
3mbgB-4oqsA:
undetectable		 3mbgA-4oqsA:
14.99
3mbgB-4oqsA:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 LEU A  76
ASP A 132
THR A 153
ALA A 156
 None
 1.08A 3mbgA-4pdxA:
undetectable
3mbgB-4pdxA:
undetectable		 3mbgA-4pdxA:
11.29
3mbgB-4pdxA:
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.
4qgs ALCOHOL
DEHYDROGENASE YQHD

(Escherichia
coli) 		PF00465
(Fe-ADH) 		4 GLU A 370
LEU A 292
ASP A 263
ALA A 265
 None
 1.23A 3mbgA-4qgsA:
1.8
3mbgB-4qgsA:
1.7		 3mbgA-4qgsA:
17.62
3mbgB-4qgsA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		4 LEU A 312
ARG A 316
THR A 353
ALA A 350
 None
 1.21A 3mbgA-4r10A:
undetectable
3mbgB-4r10A:
undetectable		 3mbgA-4r10A:
12.59
3mbgB-4r10A:
12.59
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.
4xe3 CYTOCHROME P-450

(Streptomyces
antibioticus) 		PF00067
(p450) 		4 GLU A 329
ASP A 327
ARG A  57
THR A  56
 None
 1.28A 3mbgA-4xe3A:
undetectable
3mbgB-4xe3A:
undetectable		 3mbgA-4xe3A:
17.13
3mbgB-4xe3A:
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 GLU C 430
LEU C  82
ASP C  79
ARG C  81
 None
 1.28A 3mbgA-4z42C:
undetectable
3mbgB-4z42C:
undetectable		 3mbgA-4z42C:
12.48
3mbgB-4z42C:
12.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 GLU A 131
LYS A 326
THR A 212
ALA A 181
 None
CD  A 708 ( 4.2A)
None
None
 1.32A 3mbgA-4zxlA:
2.5
3mbgB-4zxlA:
2.6		 3mbgA-4zxlA:
12.22
3mbgB-4zxlA:
12.22
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.
5b4s CHITOSANASE

(Mitsuaria
chitosanitabida) 		PF13647
(Glyco_hydro_80) 		4 LEU A 267
LYS A 271
THR A 234
ALA A 237
 None
 1.33A 3mbgA-5b4sA:
undetectable
3mbgB-5b4sA:
undetectable		 3mbgA-5b4sA:
18.50
3mbgB-5b4sA:
18.50
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.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		4 LEU A 212
ARG A 137
THR A 143
ALA A 135
 None
 1.03A 3mbgA-5b8hA:
undetectable
3mbgB-5b8hA:
undetectable		 3mbgA-5b8hA:
19.80
3mbgB-5b8hA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 LEU A 118
ASP A  66
ARG A 124
ALA A 123
 None
 1.08A 3mbgA-5by7A:
undetectable
3mbgB-5by7A:
undetectable		 3mbgA-5by7A:
17.93
3mbgB-5by7A:
17.93
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.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 LEU A 377
ASP A 320
ARG A 383
ALA A 382
 None
 1.12A 3mbgA-5bz4A:
undetectable
3mbgB-5bz4A:
undetectable		 3mbgA-5bz4A:
17.05
3mbgB-5bz4A:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5clq E3 SUMO-PROTEIN
LIGASE RANBP2

(Homo sapiens) 		PF00638
(Ran_BP1) 		4 GLU B 125
ASP B 116
ARG B  49
ALA B 118
 None
None
SO4  B 201 (-3.7A)
None
 1.05A 3mbgA-5clqB:
undetectable
3mbgB-5clqB:
undetectable		 3mbgA-5clqB:
21.14
3mbgB-5clqB:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		4 GLU A 201
LYS A  96
ASP A 231
ALA A 229
 ZN  A 806 ( 2.6A)
ATP  A 801 (-2.3A)
ZN  A 806 (-2.8A)
ATP  A 801 (-4.1A)
 1.17A 3mbgA-5e84A:
undetectable
3mbgB-5e84A:
undetectable		 3mbgA-5e84A:
11.55
3mbgB-5e84A:
11.55
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.
5ehf LACCASE

(Antrodiella
faginea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A 118
ARG A 157
THR A 114
ALA A 156
 None
 1.33A 3mbgA-5ehfA:
undetectable
3mbgB-5ehfA:
undetectable		 3mbgA-5ehfA:
12.47
3mbgB-5ehfA:
12.47
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.
5f5n MONOOXYGENASE

(Micromonospora
sp. TP-A0468) 		PF05368
(NmrA) 		4 LEU A 139
ASP A  99
ARG A  95
ALA A  98
 None
 1.25A 3mbgA-5f5nA:
undetectable
3mbgB-5f5nA:
undetectable		 3mbgA-5f5nA:
17.92
3mbgB-5f5nA:
17.92
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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 6
TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 8

(Homo sapiens;
Homo sapiens) 		PF07571
(TAF6_C)
PF10406
(TAF8_C) 		4 LEU L 175
ASP J 249
ARG L 176
ALA L 179
 None
 1.15A 3mbgA-5furL:
undetectable
3mbgB-5furL:
undetectable		 3mbgA-5furL:
17.10
3mbgB-5furL:
17.10
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.
5hl4 RING-HYDROXYLATING
DIOXYGENASE

(Sinorhizobium
meliloti) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 LEU A 349
ASP A 311
THR A 274
ALA A 280
 None
 1.16A 3mbgA-5hl4A:
undetectable
3mbgB-5hl4A:
undetectable		 3mbgA-5hl4A:
15.42
3mbgB-5hl4A:
15.42
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.
5huc 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE (DAHP)
SYNTHASE

(Corynebacterium
glutamicum) 		PF01474
(DAHP_synth_2) 		4 GLU A 280
LEU A  75
LYS A  78
ALA A  71
 None
 1.05A 3mbgA-5hucA:
undetectable
3mbgB-5hucA:
undetectable		 3mbgA-5hucA:
16.96
3mbgB-5hucA:
16.96
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.
5li4 TAIL SHEATH PROTEIN

(Staphylococcus
phage 812) 		no annotation 4 LEU A  74
ASP A 401
ARG A 404
ALA A  75
 None
 1.17A 3mbgA-5li4A:
undetectable
3mbgB-5li4A:
undetectable		 3mbgA-5li4A:
11.79
3mbgB-5li4A:
11.79
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.
5lv9 THERMOPHILIC
TRYPTOPHAN
HALOGENASE

(Streptomyces
violaceusniger) 		PF04820
(Trp_halogenase) 		4 GLU A  81
LEU A 272
ARG A 269
THR A 287
 None
 1.15A 3mbgA-5lv9A:
undetectable
3mbgB-5lv9A:
undetectable		 3mbgA-5lv9A:
13.23
3mbgB-5lv9A:
13.23
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 ASP A 843
ARG A 844
THR A 845
ALA A 842
 None
 1.31A 3mbgA-5m59A:
undetectable
3mbgB-5m59A:
undetectable		 3mbgA-5m59A:
6.34
3mbgB-5m59A:
6.34
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.
5mbh BETA SUBUNIT OF
PHOTOACTIVATED
ADENYLYL CYCLASE

(Beggiatoa sp.
PS) 		PF00211
(Guanylate_cyc)
PF04940
(BLUF) 		4 GLU A 124
LEU A  77
ARG A 121
THR A 117
 None
 1.31A 3mbgA-5mbhA:
undetectable
3mbgB-5mbhA:
undetectable		 3mbgA-5mbhA:
15.91
3mbgB-5mbhA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		4 LEU A 607
LYS A 537
ASP A 667
ALA A 670
 None
 1.28A 3mbgA-5o0sA:
undetectable
3mbgB-5o0sA:
undetectable		 3mbgA-5o0sA:
9.25
3mbgB-5o0sA:
9.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o5o RNASE ADAPTER
PROTEIN RAPZ

(Escherichia
coli) 		PF03668
(ATP_bind_2) 		4 LEU A  92
ASP A  86
THR A 136
ALA A  87
 None
 1.33A 3mbgA-5o5oA:
undetectable
3mbgB-5o5oA:
undetectable		 3mbgA-5o5oA:
18.18
3mbgB-5o5oA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5swj PROBABLE ATP
SYNTHASE SPAL/MXIB

(Shigella
flexneri) 		PF00006
(ATP-synt_ab) 		4 GLU A 375
LEU A 333
LYS A 336
ARG A 378
 None
 1.20A 3mbgA-5swjA:
undetectable
3mbgB-5swjA:
undetectable		 3mbgA-5swjA:
17.30
3mbgB-5swjA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v6t PLEXIN-D1

(Mus musculus) 		PF08337
(Plexin_cytopl) 		4 LEU A1452
LYS A1455
THR A1870
ALA A1451
 None
 1.15A 3mbgA-5v6tA:
undetectable
3mbgB-5v6tA:
undetectable		 3mbgA-5v6tA:
11.36
3mbgB-5v6tA:
11.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5voh NADH OXIDASE

(Lactobacillus
brevis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLU A 164
LEU A  46
LYS A  51
ALA A  45
 None
 1.12A 3mbgA-5vohA:
undetectable
3mbgB-5vohA:
undetectable		 3mbgA-5vohA:
13.81
3mbgB-5vohA:
13.81
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.
5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA

(Chaetomium
thermophilum) 		no annotation 4 LEU B 454
LYS B 453
ARG B 455
ALA B 369
 None
 1.23A 3mbgA-5wfcB:
undetectable
3mbgB-5wfcB:
undetectable		 3mbgA-5wfcB:
undetectable
3mbgB-5wfcB:
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.
5wml -

(-) 		no annotation 4 GLU A 273
LEU A 155
THR A 298
ALA A 289
 None
 1.32A 3mbgA-5wmlA:
undetectable
3mbgB-5wmlA:
undetectable		 3mbgA-5wmlA:
undetectable
3mbgB-5wmlA:
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.
5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Paenibacillus
sp. 598K) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		4 GLU A  46
ASP A  44
ARG A  68
THR A  70
 None
 1.32A 3mbgA-5x7hA:
undetectable
3mbgB-5x7hA:
undetectable		 3mbgA-5x7hA:
12.57
3mbgB-5x7hA:
12.57
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.
5xru ADENYLATE KINASE

(Notothenia
coriiceps) 		no annotation 4 LEU A 152
ARG A  97
THR A 157
ALA A 156
 None
AP5  A 201 (-3.1A)
None
None
 0.92A 3mbgA-5xruA:
undetectable
3mbgB-5xruA:
undetectable		 3mbgA-5xruA:
undetectable
3mbgB-5xruA:
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 4 GLU A 843
LEU A 862
ARG A 840
THR A 866
 None
 1.18A 3mbgA-6c01A:
undetectable
3mbgB-6c01A:
undetectable		 3mbgA-6c01A:
undetectable
3mbgB-6c01A:
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.
6cn7 AEROBACTIN SYNTHASE
IUCC

(Klebsiella
pneumoniae) 		no annotation 4 LEU A 471
ARG A 470
THR A 468
ALA A 469
 None
 1.29A 3mbgA-6cn7A:
undetectable
3mbgB-6cn7A:
undetectable		 3mbgA-6cn7A:
undetectable
3mbgB-6cn7A:
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.
6ez8 FACTOR VIII INTRON
22 PROTEIN

(Homo sapiens) 		no annotation 4 GLU B 147
LEU B 125
THR B  91
ALA B  94
 None
 1.29A 3mbgA-6ez8B:
1.0
3mbgB-6ez8B:
undetectable		 3mbgA-6ez8B:
undetectable
3mbgB-6ez8B:
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 4 LEU A 131
ASP A 108
ARG A 104
ALA A 107
 None
 1.08A 3mbgA-6fbtA:
undetectable
3mbgB-6fbtA:
undetectable		 3mbgA-6fbtA:
undetectable
3mbgB-6fbtA:
undetectable