SIMILAR PATTERNS OF AMINO ACIDS FOR 2QMM_B_SAMB301

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.
1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		6 ILE A  68
GLY A  69
GLY A  32
LEU A  97
SER A  96
LEU A  41
 None
 1.25A 2qmmA-1ao0A:
undetectable
2qmmB-1ao0A:
undetectable		 2qmmA-1ao0A:
20.59
2qmmB-1ao0A:
20.59
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.
1bxz NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 180
ILE A 175
GLY A 174
GLY A 243
CYH A 203
 None
 0.82A 2qmmA-1bxzA:
2.2
2qmmB-1bxzA:
2.3		 2qmmA-1bxzA:
17.90
2qmmB-1bxzA:
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.
1e50 CORE-BINDING FACTOR
CBF-BETA

(Homo sapiens) 		PF02312
(CBF_beta) 		5 LEU B  64
GLY B  61
SER B  65
LEU B  66
SER B  53
 None
 1.01A 2qmmA-1e50B:
undetectable
2qmmB-1e50B:
undetectable		 2qmmA-1e50B:
17.41
2qmmB-1e50B:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1he9 EXOENZYME S

(Pseudomonas
aeruginosa) 		PF03545
(YopE) 		5 LEU A 152
GLY A 158
SER A 149
LEU A 148
SER A 147
 None
 0.97A 2qmmA-1he9A:
undetectable
2qmmB-1he9A:
undetectable		 2qmmA-1he9A:
24.00
2qmmB-1he9A:
24.00
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.
1he9 EXOENZYME S

(Pseudomonas
aeruginosa) 		PF03545
(YopE) 		5 LEU A 152
ILE A 155
SER A 149
LEU A 148
SER A 147
 None
 1.01A 2qmmA-1he9A:
undetectable
2qmmB-1he9A:
undetectable		 2qmmA-1he9A:
24.00
2qmmB-1he9A:
24.00
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.
1j2m 17-KDA
PKC-POTENTIATED
INHIBITORY PROTEIN
OF PP1

(Sus scrofa) 		PF05361
(PP1_inhibitor) 		5 SER A  69
LEU A  60
ILE A  56
LEU A  62
SER A  64
 None
 0.89A 2qmmA-1j2mA:
undetectable
2qmmB-1j2mA:
undetectable		 2qmmA-1j2mA:
21.39
2qmmB-1j2mA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A1180
ILE A1175
GLY A1174
GLY A1243
CYH A1203
 None
 0.85A 2qmmA-1jqbA:
2.4
2qmmB-1jqbA:
undetectable		 2qmmA-1jqbA:
21.32
2qmmB-1jqbA:
21.32
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 202
ILE A  14
GLY A  15
GLY A  20
LEU A 370
 None
FAD  A 800 (-4.6A)
FAD  A 800 (-3.1A)
None
None
 0.95A 2qmmA-1knrA:
undetectable
2qmmB-1knrA:
undetectable		 2qmmA-1knrA:
16.45
2qmmB-1knrA:
16.45
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 LEU A 550
GLY A 557
GLY A 570
SER A 518
LEU A 528
 None
 1.01A 2qmmA-1mz5A:
undetectable
2qmmB-1mz5A:
undetectable		 2qmmA-1mz5A:
16.14
2qmmB-1mz5A:
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.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		6 GLY A 104
GLY A 107
SER A 121
LEU A 122
SER A 123
LEU A 127
 None
 1.29A 2qmmA-1ns5A:
8.1
2qmmB-1ns5A:
8.0		 2qmmA-1ns5A:
24.88
2qmmB-1ns5A:
24.88
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.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		8 LEU A  72
ILE A 102
GLY A 103
GLY A 107
SER A 121
LEU A 122
SER A 123
LEU A 127
 None
 0.72A 2qmmA-1ns5A:
8.1
2qmmB-1ns5A:
8.0		 2qmmA-1ns5A:
24.88
2qmmB-1ns5A:
24.88
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.
1o6d HYPOTHETICAL UPF0247
PROTEIN TM0844

(Thermotoga
maritima) 		PF02590
(SPOUT_MTase) 		6 ILE A  99
GLY A 100
GLY A 104
SER A 118
LEU A 119
SER A 120
 None
 0.76A 2qmmA-1o6dA:
8.4
2qmmB-1o6dA:
8.1		 2qmmA-1o6dA:
24.88
2qmmB-1o6dA:
24.88
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.
1oe5 SINGLE-STRAND
SELECTIVE
MONOFUNCTIONAL
URACIL DNA
GLYCOSYLASE

(Xenopus laevis) 		no annotation 5 LEU A 236
ILE A 241
GLY A 240
LEU A 209
CYH A 210
 None
 0.68A 2qmmA-1oe5A:
undetectable
2qmmB-1oe5A:
undetectable		 2qmmA-1oe5A:
22.31
2qmmB-1oe5A:
22.31
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.
1p9p TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF01746
(tRNA_m1G_MT) 		5 LEU A  87
GLY A 113
GLY A 117
SER A 132
LEU A 138
 SAH  A 300 (-4.4A)
SAH  A 300 (-3.2A)
SAH  A 300 (-3.6A)
SAH  A 300 (-3.6A)
SAH  A 300 (-4.1A)
 0.84A 2qmmA-1p9pA:
8.3
2qmmB-1p9pA:
8.3		 2qmmA-1p9pA:
21.29
2qmmB-1p9pA:
21.29
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.
1qyc PHENYLCOUMARAN
BENZYLIC ETHER
REDUCTASE PT1

(Pinus taeda) 		PF05368
(NmrA) 		5 SER A 267
GLY A 183
GLY A 181
LEU A 164
SER A 163
 None
 0.85A 2qmmA-1qycA:
2.9
2qmmB-1qycA:
undetectable		 2qmmA-1qycA:
24.92
2qmmB-1qycA:
24.92
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.
1rcu CONSERVED
HYPOTHETICAL PROTEIN
VT76

(Thermotoga
maritima) 		PF03641
(Lysine_decarbox) 		6 LEU A  21
ILE A 103
GLY A   8
SER A  19
LEU A  50
CYH A  25
 None
 1.43A 2qmmA-1rcuA:
2.1
2qmmB-1rcuA:
undetectable		 2qmmA-1rcuA:
20.28
2qmmB-1rcuA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 SER A 841
ILE A 636
GLY A 784
SER A 816
LEU A 839
 None
 0.95A 2qmmA-1rrhA:
undetectable
2qmmB-1rrhA:
undetectable		 2qmmA-1rrhA:
18.07
2qmmB-1rrhA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1spg HEMOGLOBIN

(Leiostomus
xanthurus) 		PF00042
(Globin) 		6 LEU A  82
GLU A 140
SER A  86
LEU A 138
SER A 139
LEU A 136
 None
None
None
HEM  A 144 ( 4.9A)
None
None
 1.16A 2qmmA-1spgA:
undetectable
2qmmB-1spgA:
undetectable		 2qmmA-1spgA:
26.44
2qmmB-1spgA:
26.44
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.
1to0 HYPOTHETICAL UPF0247
PROTEIN YYDA

(Bacillus
subtilis) 		PF02590
(SPOUT_MTase) 		6 LEU A  76
ILE A 107
GLY A 108
GLY A 112
SER A 126
SER A 128
 None
 0.72A 2qmmA-1to0A:
7.5
2qmmB-1to0A:
7.5		 2qmmA-1to0A:
26.15
2qmmB-1to0A:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vh0 HYPOTHETICAL UPF0247
PROTEIN
SAV0024/SA0023

(Staphylococcus
aureus) 		PF02590
(SPOUT_MTase) 		6 LEU A  76
ILE A 107
GLY A 108
GLY A 112
SER A 126
SER A 128
 None
 0.70A 2qmmA-1vh0A:
7.2
2qmmB-1vh0A:
7.0		 2qmmA-1vh0A:
24.17
2qmmB-1vh0A:
24.17
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.
1wl1 OCTOPRENYL-DIPHOSPHA
TE SYNTHASE

(Thermotoga
maritima) 		PF00348
(polyprenyl_synt) 		6 LEU A  47
ILE A 196
GLY A 197
GLY A 168
SER A  48
LEU A 189
 None
 1.06A 2qmmA-1wl1A:
undetectable
2qmmB-1wl1A:
undetectable		 2qmmA-1wl1A:
23.73
2qmmB-1wl1A:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 180
ILE A 175
GLY A 174
GLY A 243
CYH A 203
 None
 0.98A 2qmmA-1y9aA:
2.1
2qmmB-1y9aA:
undetectable		 2qmmA-1y9aA:
20.66
2qmmB-1y9aA:
20.66
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.
2axq SACCHAROPINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 LEU A   8
ILE A  75
GLY A  11
LEU A  53
SER A  52
 None
 0.95A 2qmmA-2axqA:
3.3
2qmmB-2axqA:
3.3		 2qmmA-2axqA:
19.47
2qmmB-2axqA:
19.47
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 LEU A 659
ILE A 697
GLY A 699
LEU A 672
SER A 673
 None
 1.00A 2qmmA-2cn3A:
undetectable
2qmmB-2cn3A:
undetectable		 2qmmA-2cn3A:
16.28
2qmmB-2cn3A:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A 356
ILE A 337
GLY A 336
GLY A 298
SER A  52
 None
None
XMP  A1001 (-3.6A)
XMP  A1001 (-3.5A)
None
 0.95A 2qmmA-2cu0A:
undetectable
2qmmB-2cu0A:
undetectable		 2qmmA-2cu0A:
17.18
2qmmB-2cu0A:
17.18
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.
2dbr GLYOXYLATE REDUCTASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 210
ILE A 156
GLY A 157
GLY A 162
LEU A 236
 None
None
NAP  A 401 ( 3.7A)
None
None
 1.01A 2qmmA-2dbrA:
2.8
2qmmB-2dbrA:
2.7		 2qmmA-2dbrA:
20.18
2qmmB-2dbrA:
20.18
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 212
ILE A  28
GLY A  29
GLY A  34
LEU A 434
 None
None
FAD  A1000 (-3.3A)
None
None
 0.97A 2qmmA-2fjaA:
undetectable
2qmmB-2fjaA:
2.4		 2qmmA-2fjaA:
16.83
2qmmB-2fjaA:
16.83
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 342
ILE A 349
GLY A 348
GLY A 190
LEU A  15
 None
 0.87A 2qmmA-2gqdA:
undetectable
2qmmB-2gqdA:
undetectable		 2qmmA-2gqdA:
19.53
2qmmB-2gqdA:
19.53
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.
2nv0 GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Bacillus
subtilis) 		PF01174
(SNO) 		5 LEU A  44
GLY A  46
GLY A  47
LEU A  85
LEU A  82
 None
 1.01A 2qmmA-2nv0A:
2.6
2qmmB-2nv0A:
2.5		 2qmmA-2nv0A:
22.94
2qmmB-2nv0A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o08 BH1327 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		6 SER A 117
LEU A 125
ILE A 153
GLY A 112
LEU A  32
LEU A 118
 None
None
None
None
PG4  A 503 (-4.7A)
None
 1.15A 2qmmA-2o08A:
undetectable
2qmmB-2o08A:
undetectable		 2qmmA-2o08A:
21.23
2qmmB-2o08A:
21.23
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A  88
LEU A 110
ILE A 106
SER A  79
LEU A  78
 None
 1.01A 2qmmA-2qgyA:
undetectable
2qmmB-2qgyA:
undetectable		 2qmmA-2qgyA:
20.56
2qmmB-2qgyA:
20.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qmm UPF0217 PROTEIN
AF_1056

(Archaeoglobus
fulgidus) 		PF04013
(Methyltrn_RNA_2) 		10 LEU A 221
GLU A 223
ILE A 241
GLY A 242
GLY A 246
SER A 264
LEU A 265
SER A 266
LEU A 270
CYH A 275
 SAM  A 301 (-4.3A)
SAM  A 301 (-3.5A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.1A)
 0.20A 2qmmA-2qmmA:
41.2
2qmmB-2qmmA:
39.0		 2qmmA-2qmmA:
100.00
2qmmB-2qmmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qmm UPF0217 PROTEIN
AF_1056

(Archaeoglobus
fulgidus) 		PF04013
(Methyltrn_RNA_2) 		6 SER A 269
ILE A 241
GLY A 242
GLY A 246
LEU A 270
CYH A 275
 SAM  A 301 (-4.1A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.1A)
 1.18A 2qmmA-2qmmA:
41.2
2qmmB-2qmmA:
39.0		 2qmmA-2qmmA:
100.00
2qmmB-2qmmA:
100.00
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.
2r3v MEVALONATE KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A  33
ILE A 372
GLY A 373
GLY A 212
LEU A 143
 None
 0.98A 2qmmA-2r3vA:
undetectable
2qmmB-2r3vA:
undetectable		 2qmmA-2r3vA:
20.57
2qmmB-2r3vA:
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.
2v5o CATION-INDEPENDENT
MANNOSE-6-PHOSPHATE
RECEPTOR

(Homo sapiens) 		PF00040
(fn2)
PF00878
(CIMR) 		5 GLY A1867
GLY A1890
LEU A1858
SER A1859
LEU A1857
 None
 0.92A 2qmmA-2v5oA:
undetectable
2qmmB-2v5oA:
undetectable		 2qmmA-2v5oA:
15.76
2qmmB-2v5oA:
15.76
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 200
ILE A  13
GLY A  14
GLY A  19
LEU A 383
 None
FAD  A 601 ( 4.9A)
FAD  A 601 (-3.1A)
None
None
 1.01A 2qmmA-2wu5A:
undetectable
2qmmB-2wu5A:
undetectable		 2qmmA-2wu5A:
16.52
2qmmB-2wu5A:
16.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ai9 UPF0217 PROTEIN
MJ1640

(Methanocaldococcus
jannaschii) 		PF04013
(Methyltrn_RNA_2) 		9 LEU X 136
ILE X 155
GLY X 156
GLY X 160
SER X 178
LEU X 179
SER X 180
LEU X 184
CYH X 189
 SAM  X 501 (-4.3A)
SAM  X 501 ( 4.8A)
SAM  X 501 (-3.2A)
SAM  X 501 ( 4.2A)
SAM  X 501 ( 3.7A)
SAM  X 501 (-4.4A)
SAM  X 501 (-4.2A)
SAM  X 501 (-4.3A)
SAM  X 501 (-3.3A)
 0.38A 2qmmA-3ai9X:
31.2
2qmmB-3ai9X:
31.2		 2qmmA-3ai9X:
43.81
2qmmB-3ai9X:
43.81
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.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE

(Mesorhizobium
japonicum) 		PF01494
(FAD_binding_3) 		5 LEU A 315
GLY A 318
SER A 312
LEU A 311
SER A 310
 None
 0.97A 2qmmA-3allA:
undetectable
2qmmB-3allA:
undetectable		 2qmmA-3allA:
19.16
2qmmB-3allA:
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.
3dhw METHIONINE IMPORT
ATP-BINDING PROTEIN
METN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF09383
(NIL) 		5 LEU C   4
GLU C  68
ILE C   7
GLY C  60
LEU C  69
 None
 1.01A 2qmmA-3dhwC:
undetectable
2qmmB-3dhwC:
undetectable		 2qmmA-3dhwC:
21.47
2qmmB-3dhwC:
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.
3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE

(Aquifex
aeolicus) 		PF02401
(LYTB) 		5 GLU A 246
ILE A 216
GLY A 217
GLY A 218
LEU A 247
 None
 0.84A 2qmmA-3dnfA:
undetectable
2qmmB-3dnfA:
2.8		 2qmmA-3dnfA:
22.01
2qmmB-3dnfA:
22.01
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 219
ILE A 178
SER A  13
LEU A  12
CYH A 166
 None
 1.01A 2qmmA-3e1hA:
undetectable
2qmmB-3e1hA:
undetectable		 2qmmA-3e1hA:
21.21
2qmmB-3e1hA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 180
ILE A 175
GLY A 174
GLY A 243
CYH A 203
 None
 0.84A 2qmmA-3fpcA:
undetectable
2qmmB-3fpcA:
undetectable		 2qmmA-3fpcA:
20.65
2qmmB-3fpcA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpl NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 180
ILE A 175
GLY A 174
GLY A 243
CYH A 203
 None
 0.86A 2qmmA-3fplA:
2.7
2qmmB-3fplA:
2.8		 2qmmA-3fplA:
21.92
2qmmB-3fplA:
21.92
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.
3fsr NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 180
ILE A 175
GLY A 174
GLY A 243
CYH A 203
 None
 0.87A 2qmmA-3fsrA:
undetectable
2qmmB-3fsrA:
2.6		 2qmmA-3fsrA:
20.22
2qmmB-3fsrA:
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.
3hjz TRANSALDOLASE B

(Prochlorococcus
marinus) 		PF00923
(TAL_FSA) 		5 LEU A 262
GLY A 260
LEU A   8
SER A   9
LEU A   5
 None
EDO  A 334 ( 4.7A)
None
EDO  A 338 (-3.5A)
EDO  A 338 (-4.0A)
 1.01A 2qmmA-3hjzA:
undetectable
2qmmB-3hjzA:
undetectable		 2qmmA-3hjzA:
22.22
2qmmB-3hjzA:
22.22
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.
3kb6 D-LACTATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 200
ILE A 147
GLY A 148
GLY A 153
LEU A 226
 None
None
NAD  A 400 ( 3.9A)
None
None
 0.99A 2qmmA-3kb6A:
undetectable
2qmmB-3kb6A:
2.0		 2qmmA-3kb6A:
22.66
2qmmB-3kb6A:
22.66
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.
3l0d GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Bartonella
henselae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		6 LEU A  96
ILE A  17
GLY A  14
GLY A  11
LEU A 120
SER A 149
 None
None
None
NAD  A 336 (-2.6A)
None
None
 1.03A 2qmmA-3l0dA:
2.8
2qmmB-3l0dA:
2.7		 2qmmA-3l0dA:
20.39
2qmmB-3l0dA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3llx PREDICTED AMINO ACID
ALDOLASE OR RACEMASE

(Idiomarina
loihiensis) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 LEU A 202
ILE A 207
GLY A 206
LEU A 154
SER A 152
 None
 0.97A 2qmmA-3llxA:
undetectable
2qmmB-3llxA:
undetectable		 2qmmA-3llxA:
18.06
2qmmB-3llxA:
18.06
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.
3nk7 23S RRNA
METHYLTRANSFERASE

(Streptomyces
actuosus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		5 LEU A 195
GLY A 218
GLY A 223
SER A 237
LEU A 247
 SAM  A 770 (-3.8A)
SAM  A 770 (-3.0A)
SAM  A 770 (-3.4A)
None
SAM  A 770 (-4.5A)
 0.85A 2qmmA-3nk7A:
10.7
2qmmB-3nk7A:
10.6		 2qmmA-3nk7A:
21.35
2qmmB-3nk7A:
21.35
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.
3onq REGULATOR OF
POLYKETIDE SYNTHASE
EXPRESSION

(Bifidobacterium
adolescentis) 		PF13556
(HTH_30) 		5 LEU A 123
ILE A  56
GLY A  57
GLY A  58
CYH A 108
 None
None
None
None
GOL  A 269 (-2.6A)
 0.92A 2qmmA-3onqA:
undetectable
2qmmB-3onqA:
undetectable		 2qmmA-3onqA:
23.31
2qmmB-3onqA:
23.31
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.
3pvv CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Mycobacterium
tuberculosis) 		PF08299
(Bac_DnaA_C) 		5 ILE A 462
GLY A 463
GLY A 467
SER A 412
CYH A 451
 None
 0.89A 2qmmA-3pvvA:
undetectable
2qmmB-3pvvA:
undetectable		 2qmmA-3pvvA:
20.69
2qmmB-3pvvA:
20.69
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.
3vly NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 LEU A 369
GLY A 374
SER A 427
LEU A 423
SER A 424
 None
K  A 603 ( 4.6A)
None
None
None
 0.88A 2qmmA-3vlyA:
undetectable
2qmmB-3vlyA:
undetectable		 2qmmA-3vlyA:
15.49
2qmmB-3vlyA:
15.49
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.
3wwy D-LACTATE
DEHYDROGENASE

(Fusobacterium
nucleatum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 206
ILE A 152
GLY A 153
GLY A 158
LEU A 232
 None
 0.95A 2qmmA-3wwyA:
2.3
2qmmB-3wwyA:
2.5		 2qmmA-3wwyA:
21.94
2qmmB-3wwyA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 LEU A 402
ILE A 531
GLY A 532
SER A 198
LEU A 199
 None
 1.00A 2qmmA-4b56A:
undetectable
2qmmB-4b56A:
undetectable		 2qmmA-4b56A:
13.48
2qmmB-4b56A:
13.48
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.
4bgo EFEM M75 PEPTIDASE

(Pseudomonas
syringae) 		PF09375
(Peptidase_M75) 		5 LEU A 271
GLU A 273
GLY A 266
LEU A 275
SER A 276
 None
 1.01A 2qmmA-4bgoA:
undetectable
2qmmB-4bgoA:
undetectable		 2qmmA-4bgoA:
20.72
2qmmB-4bgoA:
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.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 244
ILE A 272
GLY A 273
GLY A 274
LEU A 252
 None
None
GOL  A1490 (-3.6A)
ANP  A1489 ( 3.3A)
None
 0.98A 2qmmA-4d4gA:
undetectable
2qmmB-4d4gA:
undetectable		 2qmmA-4d4gA:
18.13
2qmmB-4d4gA:
18.13
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ILE A  40
GLY A  41
GLY A  36
LEU A 206
SER A 205
 NAP  A 401 (-4.0A)
None
None
None
None
 0.85A 2qmmA-4fc7A:
2.4
2qmmB-4fc7A:
undetectable		 2qmmA-4fc7A:
21.71
2qmmB-4fc7A:
21.71
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.
4hss PUTATIVE FIMBRIAL
SUBUNIT

(Corynebacterium
diphtheriae) 		no annotation 5 LEU A  56
GLY A 127
GLY A 125
LEU A  54
SER A  53
 None
 0.85A 2qmmA-4hssA:
undetectable
2qmmB-4hssA:
undetectable		 2qmmA-4hssA:
19.30
2qmmB-4hssA:
19.30
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.
4j3o OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher)
PF13953
(PapC_C)
PF13954
(PapC_N) 		5 SER D 653
LEU D 626
ILE D 637
SER D 603
LEU D 602
 None
 0.84A 2qmmA-4j3oD:
undetectable
2qmmB-4j3oD:
undetectable		 2qmmA-4j3oD:
12.35
2qmmB-4j3oD:
12.35
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.
4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 183
ILE A 202
GLY A 203
LEU A 229
LEU A 243
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.69A 2qmmA-4jwgA:
6.9
2qmmB-4jwgA:
6.8		 2qmmA-4jwgA:
25.32
2qmmB-4jwgA:
25.32
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.
4jwh TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 183
ILE A 202
GLY A 203
LEU A 229
LEU A 243
 SAH  A 401 (-4.2A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.1A)
SAH  A 401 (-3.9A)
SAH  A 401 (-4.6A)
 0.75A 2qmmA-4jwhA:
7.2
2qmmB-4jwhA:
7.2		 2qmmA-4jwhA:
22.83
2qmmB-4jwhA:
22.83
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		5 LEU A 117
ILE A  49
GLY A  50
GLY A  52
LEU A 141
 None
 0.91A 2qmmA-4jxjA:
undetectable
2qmmB-4jxjA:
undetectable		 2qmmA-4jxjA:
23.11
2qmmB-4jxjA:
23.11
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.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		5 SER A 609
LEU A 742
ILE A 746
SER A 738
LEU A 737
 None
 0.95A 2qmmA-4kf7A:
undetectable
2qmmB-4kf7A:
undetectable		 2qmmA-4kf7A:
10.64
2qmmB-4kf7A:
10.64
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 340
ILE A 347
GLY A 346
GLY A 188
LEU A  13
 None
 0.95A 2qmmA-4ls5A:
undetectable
2qmmB-4ls5A:
undetectable		 2qmmA-4ls5A:
19.71
2qmmB-4ls5A:
19.71
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.
4n42 XYLANASE AND
ALPHA-AMYLASE
INHIBITOR PROTEIN
ISOFORM III

(Scadoxus
multiflorus) 		PF00704
(Glyco_hydro_18) 		5 ILE A  74
GLY A  75
GLY A  76
LEU A 151
LEU A  71
 None
 0.98A 2qmmA-4n42A:
undetectable
2qmmB-4n42A:
undetectable		 2qmmA-4n42A:
23.22
2qmmB-4n42A:
23.22
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.
4p3h KSHV PROTEASE

(Human
gammaherpesvirus
8) 		PF00716
(Peptidase_S21) 		6 LEU A 115
ILE A  65
GLY A 145
SER A 116
SER A  15
LEU A  25
 None
 1.23A 2qmmA-4p3hA:
undetectable
2qmmB-4p3hA:
undetectable		 2qmmA-4p3hA:
20.56
2qmmB-4p3hA:
20.56
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.
4pfq HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Brachybacterium
faecium) 		PF00156
(Pribosyltran) 		5 SER A 104
LEU A 135
GLY A 132
LEU A 139
SER A 140
 None
 0.96A 2qmmA-4pfqA:
undetectable
2qmmB-4pfqA:
undetectable		 2qmmA-4pfqA:
24.79
2qmmB-4pfqA:
24.79
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.
4q2s PDC1 GE1 DOMAIN

(Schizosaccharomyces
pombe) 		no annotation 5 GLY A 949
SER A 971
LEU A 970
LEU A 942
CYH A 954
 None
 1.01A 2qmmA-4q2sA:
undetectable
2qmmB-4q2sA:
undetectable		 2qmmA-4q2sA:
21.05
2qmmB-4q2sA:
21.05
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.
4xeh KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 SER A 132
ILE A 172
GLY A 173
GLY A 146
SER A  27
 None
 0.99A 2qmmA-4xehA:
undetectable
2qmmB-4xehA:
undetectable		 2qmmA-4xehA:
23.81
2qmmB-4xehA:
23.81
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.
4xkj D-LACTATE
DEHYDROGENASE

(Sporolactobacillus
inulinus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 203
ILE A 151
GLY A 152
GLY A 157
LEU A 229
 None
None
NAD  A 401 (-3.4A)
None
None
 1.01A 2qmmA-4xkjA:
2.5
2qmmB-4xkjA:
2.3		 2qmmA-4xkjA:
21.80
2qmmB-4xkjA:
21.80
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		5 LEU A 492
GLY A 487
GLY A 612
LEU A 496
SER A 497
 None
 0.87A 2qmmA-4xwlA:
undetectable
2qmmB-4xwlA:
undetectable		 2qmmA-4xwlA:
15.14
2qmmB-4xwlA:
15.14
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.
4xxh HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TRER

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 GLY A 246
GLY A 221
SER A  74
LEU A  75
SER A  76
 None
None
T6P  A 401 (-2.6A)
T6P  A 401 (-4.8A)
T6P  A 401 (-2.7A)
 1.01A 2qmmA-4xxhA:
2.6
2qmmB-4xxhA:
4.5		 2qmmA-4xxhA:
21.37
2qmmB-4xxhA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ypw TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Haemophilus
influenzae) 		PF01746
(tRNA_m1G_MT) 		5 LEU A  87
GLY A 113
GLY A 117
SER A 132
LEU A 138
 None
4FD  A 301 (-4.7A)
4FD  A 301 (-3.6A)
4FD  A 301 (-3.2A)
4FD  A 301 (-3.9A)
 0.88A 2qmmA-4ypwA:
5.5
2qmmB-4ypwA:
5.7		 2qmmA-4ypwA:
24.24
2qmmB-4ypwA:
24.24
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.
4yxm DNA INTEGRITY
SCANNING PROTEIN
DISA

(Thermotoga
maritima) 		PF00633
(HHH)
PF02457
(DisA_N)
PF10635
(DisA-linker) 		5 LEU A 329
GLU A 327
ILE A 335
GLY A 336
SER A 325
 None
 0.84A 2qmmA-4yxmA:
undetectable
2qmmB-4yxmA:
undetectable		 2qmmA-4yxmA:
20.88
2qmmB-4yxmA:
20.88
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.
4z9n AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Brucella ovis) 		PF00497
(SBP_bac_3) 		5 ILE A 293
GLY A 294
GLY A 296
SER A  27
LEU A  23
 None
 1.01A 2qmmA-4z9nA:
undetectable
2qmmB-4z9nA:
undetectable		 2qmmA-4z9nA:
20.43
2qmmB-4z9nA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dds CRMG

(Actinoalloteichus
sp. WH1-2216-6) 		PF00202
(Aminotran_3) 		5 GLU A 105
ILE A 321
GLY A 322
GLY A 325
LEU A  98
 None
 0.91A 2qmmA-5ddsA:
undetectable
2qmmB-5ddsA:
undetectable		 2qmmA-5ddsA:
18.15
2qmmB-5ddsA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 SER A 132
ILE A 172
GLY A 173
GLY A 146
SER A  27
 None
None
None
None
NAP  A 501 (-3.4A)
 0.88A 2qmmA-5e4rA:
undetectable
2qmmB-5e4rA:
undetectable		 2qmmA-5e4rA:
18.33
2qmmB-5e4rA:
18.33
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.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		5 GLU A 438
ILE A 403
GLY A 402
GLY A 401
LEU A 437
 None
 0.98A 2qmmA-5hsiA:
2.5
2qmmB-5hsiA:
2.9		 2qmmA-5hsiA:
14.22
2qmmB-5hsiA:
14.22
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.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		6 LEU A 118
ILE A 175
GLY A 122
GLY A 127
SER A 116
SER A 113
 None
 1.37A 2qmmA-5ilgA:
2.7
2qmmB-5ilgA:
2.8		 2qmmA-5ilgA:
25.09
2qmmB-5ilgA:
25.09
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.
5ixd TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 5 ILE A 323
GLY A 322
GLY A 319
SER A 407
SER A 404
 None
 0.97A 2qmmA-5ixdA:
undetectable
2qmmB-5ixdA:
undetectable		 2qmmA-5ixdA:
16.36
2qmmB-5ixdA:
16.36
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.
5kxj L-ASPARTATE OXIDASE

(Salmonella
enterica) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 202
ILE A  14
GLY A  15
GLY A  20
LEU A 370
 None
 1.00A 2qmmA-5kxjA:
undetectable
2qmmB-5kxjA:
undetectable		 2qmmA-5kxjA:
17.87
2qmmB-5kxjA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 6 SER A 372
LEU A 244
ILE A  20
GLY A  19
GLY A  18
SER A 252
 None
 1.39A 2qmmA-5m41A:
undetectable
2qmmB-5m41A:
undetectable		 2qmmA-5m41A:
undetectable
2qmmB-5m41A:
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.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 SER A 250
LEU A 287
GLY A 289
LEU A 254
SER A 253
 None
None
CA  A9001 (-4.4A)
CA  A9003 ( 4.6A)
None
 0.99A 2qmmA-5n8pA:
undetectable
2qmmB-5n8pA:
undetectable		 2qmmA-5n8pA:
9.72
2qmmB-5n8pA:
9.72
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.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		6 SER A 250
LEU A 287
ILE A 316
GLY A 289
GLY A 290
SER A 253
 None
None
None
CA  A9001 (-4.4A)
CA  A9002 (-3.8A)
None
 1.41A 2qmmA-5n8pA:
undetectable
2qmmB-5n8pA:
undetectable		 2qmmA-5n8pA:
9.72
2qmmB-5n8pA:
9.72
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.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 SER A 250
LEU A 287
GLY A 289
LEU A 254
SER A 253
 None
None
CA  A9001 (-4.4A)
CA  A9003 ( 4.6A)
None
 0.99A 2qmmA-5n97A:
undetectable
2qmmB-5n97A:
undetectable		 2qmmA-5n97A:
11.05
2qmmB-5n97A:
11.05
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.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		6 SER A 250
LEU A 287
ILE A 316
GLY A 289
GLY A 290
SER A 253
 None
None
None
CA  A9001 (-4.4A)
CA  A9002 (-3.8A)
None
 1.41A 2qmmA-5n97A:
undetectable
2qmmB-5n97A:
undetectable		 2qmmA-5n97A:
11.05
2qmmB-5n97A:
11.05
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.
5ncc FATTY ACID
PHOTODECARBOXYLASE

(Chlorella
variabilis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A  98
GLY A  92
GLY A 164
LEU A 102
SER A 103
 None
FAD  A 701 (-3.3A)
None
None
None
 1.01A 2qmmA-5nccA:
undetectable
2qmmB-5nccA:
undetectable		 2qmmA-5nccA:
15.66
2qmmB-5nccA:
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.
5nfj MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1

(Homo sapiens) 		no annotation 5 LEU A 290
ILE A 309
GLY A 310
LEU A 336
LEU A 351
 SAM  A 501 (-4.2A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.3A)
SAM  A 501 (-3.9A)
SAM  A 501 (-4.0A)
 0.76A 2qmmA-5nfjA:
7.1
2qmmB-5nfjA:
6.8		 2qmmA-5nfjA:
undetectable
2qmmB-5nfjA:
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.
5nii THIOREDOXIN
REDUCTASE

(Desulfovibrio
vulgaris) 		no annotation 6 LEU A 210
GLU A 202
ILE A 198
GLY A 215
SER A 208
LEU A 207
 None
 1.24A 2qmmA-5niiA:
2.4
2qmmB-5niiA:
2.2		 2qmmA-5niiA:
undetectable
2qmmB-5niiA:
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.
5nux CHROMATE REDUCTASE

(Thermus
scotoductus) 		no annotation 5 LEU A 317
ILE A 297
GLY A 295
LEU A  19
LEU A 314
 None
None
FMN  A1001 (-3.7A)
None
None
 0.94A 2qmmA-5nuxA:
undetectable
2qmmB-5nuxA:
undetectable		 2qmmA-5nuxA:
undetectable
2qmmB-5nuxA:
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		6 LEU A 140
ILE A 339
GLY A 336
GLY A 333
SER A 138
SER A 233
 None
 1.35A 2qmmA-5o1mA:
undetectable
2qmmB-5o1mA:
undetectable		 2qmmA-5o1mA:
21.79
2qmmB-5o1mA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 5 ILE A 195
GLY A 196
GLY A 200
SER A 218
LEU A 219
 None
SAM  A 501 (-4.1A)
SAM  A 501 (-2.9A)
None
SAM  A 501 (-4.9A)
 0.96A 2qmmA-5o96A:
11.2
2qmmB-5o96A:
10.9		 2qmmA-5o96A:
25.40
2qmmB-5o96A:
25.40
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.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 5 ILE A 195
GLY A 196
GLY A 200
SER A 218
LEU A 224
 None
SAM  A 501 (-4.1A)
SAM  A 501 (-2.9A)
None
SAM  A 501 (-4.5A)
 0.86A 2qmmA-5o96A:
11.2
2qmmB-5o96A:
10.9		 2qmmA-5o96A:
25.40
2qmmB-5o96A:
25.40
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.
5upy INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Listeria
monocytogenes) 		PF00478
(IMPDH) 		5 LEU A 363
ILE A 344
GLY A 343
GLY A 305
SER A  48
 None
None
IMP  A 500 (-3.6A)
IMP  A 500 (-3.4A)
None
 0.94A 2qmmA-5upyA:
undetectable
2qmmB-5upyA:
undetectable		 2qmmA-5upyA:
21.04
2qmmB-5upyA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uuw INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH) 		5 LEU A 363
ILE A 344
GLY A 343
GLY A 305
SER A  48
 None
None
IMP  A 501 (-3.9A)
IMP  A 501 ( 3.2A)
None
 0.96A 2qmmA-5uuwA:
undetectable
2qmmB-5uuwA:
undetectable		 2qmmA-5uuwA:
23.46
2qmmB-5uuwA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wyr TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A  92
GLY A 118
GLY A 122
SER A 137
LEU A 143
 SFG  A 400 (-4.6A)
SFG  A 400 (-3.4A)
SFG  A 400 (-3.6A)
SFG  A 400 (-3.3A)
SFG  A 400 (-4.2A)
 0.85A 2qmmA-5wyrA:
7.3
2qmmB-5wyrA:
7.2		 2qmmA-5wyrA:
undetectable
2qmmB-5wyrA:
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 LEU A  53
GLU A  66
GLY A  83
LEU A  51
SER A  50
 None
 0.97A 2qmmA-5x7sA:
undetectable
2qmmB-5x7sA:
undetectable		 2qmmA-5x7sA:
9.23
2qmmB-5x7sA:
9.23
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 6 SER A 395
LEU A  15
GLY A  13
GLY A  12
LEU A 411
SER A 410
 FAD  A 701 ( 4.9A)
FAD  A 701 (-4.9A)
FAD  A 701 (-3.5A)
FAD  A 701 (-2.9A)
FAD  A 701 (-3.7A)
FAD  A 701 (-3.5A)
 1.40A 2qmmA-5xmjA:
undetectable
2qmmB-5xmjA:
undetectable		 2qmmA-5xmjA:
undetectable
2qmmB-5xmjA:
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.
5y69 CHAIN A

(Listeria
monocytogenes) 		no annotation 5 LEU A  20
ILE A  26
GLY A  25
LEU A  50
SER A  51
 None
 0.96A 2qmmA-5y69A:
undetectable
2qmmB-5y69A:
undetectable		 2qmmA-5y69A:
21.62
2qmmB-5y69A:
21.62
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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 5 LEU A 227
ILE A 244
GLY A 224
LEU A 169
SER A 170
 None
 0.93A 2qmmA-6c29A:
undetectable
2qmmB-6c29A:
undetectable		 2qmmA-6c29A:
undetectable
2qmmB-6c29A:
undetectable