SIMILAR PATTERNS OF AMINO ACIDS FOR 5BTG_E_LFXE101_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A  96
ARG A  68
GLY A  66
GLU A  65
 None
 0.72A 5btgA-1bqgA:
0.0
5btgB-1bqgA:
0.9
5btgC-1bqgA:
0.0		 5btgA-1bqgA:
23.27
5btgB-1bqgA:
21.19
5btgC-1bqgA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1exc PROTEIN MAF

(Bacillus
subtilis) 		PF02545
(Maf) 		4 ALA A 125
GLY A 151
THR A 140
GLU A 142
 None
 0.97A 5btgA-1excA:
0.0
5btgB-1excA:
undetectable
5btgC-1excA:
0.0		 5btgA-1excA:
15.57
5btgB-1excA:
22.73
5btgC-1excA:
15.57
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.
1pjq SIROHEME SYNTHASE

(Salmonella
enterica) 		PF00590
(TP_methylase)
PF10414
(CysG_dimeriser)
PF13241
(NAD_binding_7)
PF14824
(Sirohm_synth_M) 		4 ALA A 332
ARG A 309
GLY A 310
GLU A 312
 ACT  A 505 (-3.0A)
None
None
None
 0.94A 5btgA-1pjqA:
0.0
5btgB-1pjqA:
undetectable
5btgC-1pjqA:
0.0		 5btgA-1pjqA:
21.96
5btgB-1pjqA:
21.12
5btgC-1pjqA:
21.96
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.
1sj8 TALIN 1

(Mus musculus) 		PF09141
(Talin_middle) 		4 ALA A 770
ARG A 741
GLY A 740
GLU A 738
 None
 0.89A 5btgA-1sj8A:
1.8
5btgB-1sj8A:
undetectable
5btgC-1sj8A:
undetectable		 5btgA-1sj8A:
20.12
5btgB-1sj8A:
22.01
5btgC-1sj8A:
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.
1sxd GA REPEAT BINDING
PROTEIN, ALPHA

(Mus musculus) 		PF02198
(SAM_PNT) 		4 ALA A 253
ARG A 220
GLY A 219
GLU A 221
 None
 0.80A 5btgA-1sxdA:
0.1
5btgB-1sxdA:
undetectable
5btgC-1sxdA:
0.1		 5btgA-1sxdA:
9.72
5btgB-1sxdA:
17.92
5btgC-1sxdA:
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.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		4 ALA A  49
ARG A  67
GLY A  70
THR A  74
 None
None
FAD  A 488 (-2.8A)
None
 0.93A 5btgA-1tdkA:
undetectable
5btgB-1tdkA:
1.8
5btgC-1tdkA:
0.0		 5btgA-1tdkA:
23.45
5btgB-1tdkA:
20.45
5btgC-1tdkA:
23.45
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.
1vdc NADPH DEPENDENT
THIOREDOXIN
REDUCTASE

(Arabidopsis
thaliana) 		PF07992
(Pyr_redox_2) 		4 ARG A  69
GLY A  40
THR A  81
GLU A  35
 None
 0.75A 5btgA-1vdcA:
undetectable
5btgB-1vdcA:
undetectable
5btgC-1vdcA:
undetectable		 5btgA-1vdcA:
20.90
5btgB-1vdcA:
22.16
5btgC-1vdcA:
20.90
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.
1x1o NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Thermus
thermophilus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 ALA A  68
ARG A  94
GLY A  43
GLU A  44
 None
 0.95A 5btgA-1x1oA:
undetectable
5btgB-1x1oA:
undetectable
5btgC-1x1oA:
undetectable		 5btgA-1x1oA:
23.57
5btgB-1x1oA:
26.27
5btgC-1x1oA:
23.57
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.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ALA A  60
GLY A  54
THR A 242
GLU A  42
 None
None
K  A 413 ( 4.7A)
K  A 413 (-2.9A)
 0.93A 5btgA-1xrcA:
1.3
5btgB-1xrcA:
undetectable
5btgC-1xrcA:
1.3		 5btgA-1xrcA:
21.25
5btgB-1xrcA:
24.04
5btgC-1xrcA:
21.25
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.
1xtp LMAJ004091AAA

(Leishmania
major) 		PF05891
(Methyltransf_PK) 		4 ALA A 252
ARG A  83
GLY A  81
GLU A  80
 None
 0.83A 5btgA-1xtpA:
0.0
5btgB-1xtpA:
1.1
5btgC-1xtpA:
0.0		 5btgA-1xtpA:
19.92
5btgB-1xtpA:
23.67
5btgC-1xtpA:
19.92
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.
1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE

(Escherichia
virus T4) 		PF11440
(AGT) 		4 ALA A1062
ARG A1009
GLY A1010
GLU A1012
 None
None
None
CME  A1014 (-3.8A)
 0.91A 5btgA-1xv5A:
undetectable
5btgB-1xv5A:
undetectable
5btgC-1xv5A:
undetectable		 5btgA-1xv5A:
21.61
5btgB-1xv5A:
21.59
5btgC-1xv5A:
21.61
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.
1yxy PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Streptococcus
pyogenes) 		PF04131
(NanE) 		4 ARG A  54
GLY A 215
THR A 160
GLU A 192
 None
 0.95A 5btgA-1yxyA:
undetectable
5btgB-1yxyA:
undetectable
5btgC-1yxyA:
undetectable		 5btgA-1yxyA:
19.64
5btgB-1yxyA:
24.83
5btgC-1yxyA:
19.64
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.
1zlp PETAL DEATH PROTEIN

(Dianthus
caryophyllus) 		PF13714
(PEP_mutase) 		4 ALA A 203
ARG A 193
GLY A 191
GLU A 190
 None
 0.93A 5btgA-1zlpA:
undetectable
5btgB-1zlpA:
undetectable
5btgC-1zlpA:
undetectable		 5btgA-1zlpA:
22.69
5btgB-1zlpA:
22.45
5btgC-1zlpA:
22.69
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.
2atv RAS-LIKE
ESTROGEN-REGULATED
GROWTH INHIBITOR

(Homo sapiens) 		PF00071
(Ras) 		4 ALA A 149
ARG A  14
GLY A  13
GLU A  94
 GDP  A 415 (-3.7A)
None
None
None
 0.88A 5btgA-2atvA:
undetectable
5btgB-2atvA:
4.0
5btgC-2atvA:
undetectable		 5btgA-2atvA:
17.43
5btgB-2atvA:
24.06
5btgC-2atvA:
17.43
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.
2fwv HYPOTHETICAL PROTEIN
MTUBF_01000852

(Mycobacterium
tuberculosis) 		PF08768
(DUF1794) 		4 ARG A  89
GLY A  79
GLU A  78
ARG A  82
 None
 0.85A 5btgA-2fwvA:
undetectable
5btgB-2fwvA:
undetectable
5btgC-2fwvA:
undetectable		 5btgA-2fwvA:
19.28
5btgB-2fwvA:
25.00
5btgC-2fwvA:
19.28
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.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Ensifer
adhaerens) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ALA A 286
ARG A  22
GLY A  26
GLU A  27
 None
 0.71A 5btgA-2glxA:
undetectable
5btgB-2glxA:
2.1
5btgC-2glxA:
undetectable		 5btgA-2glxA:
24.04
5btgB-2glxA:
23.30
5btgC-2glxA:
24.04
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.
2h92 CYTIDYLATE KINASE

(Staphylococcus
aureus) 		PF02224
(Cytidylate_kin) 		4 ALA A  36
GLY A  15
THR A 208
ARG A  87
 None
SO4  A1400 (-3.6A)
None
C5P  A1300 ( 4.8A)
 0.91A 5btgA-2h92A:
undetectable
5btgB-2h92A:
undetectable
5btgC-2h92A:
undetectable		 5btgA-2h92A:
20.33
5btgB-2h92A:
24.26
5btgC-2h92A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isn NYSGXRC-8828Z,
PHOSPHATASE

(Toxoplasma
gondii) 		PF00481
(PP2C) 		4 ALA A 185
ARG A 235
THR A 207
GLU A 208
 None
 0.73A 5btgA-2isnA:
undetectable
5btgB-2isnA:
undetectable
5btgC-2isnA:
undetectable		 5btgA-2isnA:
21.97
5btgB-2isnA:
21.86
5btgC-2isnA:
21.97
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.
2o2z HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF01933
(UPF0052) 		4 ALA A  36
ARG A 157
GLY A 134
GLU A 135
 None
 0.99A 5btgA-2o2zA:
undetectable
5btgB-2o2zA:
undetectable
5btgC-2o2zA:
undetectable		 5btgA-2o2zA:
22.07
5btgB-2o2zA:
23.20
5btgC-2o2zA:
22.07
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.
2o78 PUTATIVE HISTIDINE
AMMONIA-LYASE

(Rhodobacter
sphaeroides) 		PF00221
(Lyase_aromatic) 		4 ALA A 103
ARG A 185
GLY A 182
GLU A 181
 None
 0.87A 5btgA-2o78A:
undetectable
5btgB-2o78A:
undetectable
5btgC-2o78A:
undetectable		 5btgA-2o78A:
26.07
5btgB-2o78A:
21.03
5btgC-2o78A:
26.07
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 ALA A  92
ARG A  85
GLY A  84
GLU A 112
 None
None
SAM  A 300 (-3.5A)
None
 0.91A 5btgA-2oxtA:
undetectable
5btgB-2oxtA:
undetectable
5btgC-2oxtA:
undetectable		 5btgA-2oxtA:
20.28
5btgB-2oxtA:
22.68
5btgC-2oxtA:
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 ALA A  93
ARG A  85
GLY A  84
GLU A 112
 None
None
SAM  A 300 (-3.5A)
None
 0.87A 5btgA-2oxtA:
undetectable
5btgB-2oxtA:
undetectable
5btgC-2oxtA:
undetectable		 5btgA-2oxtA:
20.28
5btgB-2oxtA:
22.68
5btgC-2oxtA:
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.
2r7a BACTERIAL HEME
BINDING PROTEIN

(Shigella
dysenteriae) 		PF01497
(Peripla_BP_2) 		4 ALA A 190
ARG A 262
GLY A 260
GLU A  35
 None
 0.95A 5btgA-2r7aA:
undetectable
5btgB-2r7aA:
2.7
5btgC-2r7aA:
undetectable		 5btgA-2r7aA:
19.37
5btgB-2r7aA:
21.19
5btgC-2r7aA:
19.37
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.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE

(Agrobacterium
fabrum) 		PF06559
(DCD) 		4 ALA A  21
ARG A 170
GLY A  12
GLU A 339
 None
 0.94A 5btgA-2r9qA:
undetectable
5btgB-2r9qA:
undetectable
5btgC-2r9qA:
undetectable		 5btgA-2r9qA:
21.48
5btgB-2r9qA:
23.02
5btgC-2r9qA:
21.48
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.
2vg9 BIFUNCTIONAL
ENDO-1,4-BETA-XYLANA
SE A

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		4 ALA A  79
ARG A  56
GLY A  58
GLU A 193
 None
 0.99A 5btgA-2vg9A:
undetectable
5btgB-2vg9A:
undetectable
5btgC-2vg9A:
undetectable		 5btgA-2vg9A:
18.52
5btgB-2vg9A:
22.99
5btgC-2vg9A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yij PHOSPHOLIPASE
A1-IIGAMMA

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 ARG A 218
GLY A 217
THR A  98
GLU A 215
 None
 0.87A 5btgA-2yijA:
undetectable
5btgB-2yijA:
undetectable
5btgC-2yijA:
undetectable		 5btgA-2yijA:
22.20
5btgB-2yijA:
20.43
5btgC-2yijA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxg DIHYDRODIPICOLINATE
SYNTHASE

(Methanocaldococcus
jannaschii) 		PF00701
(DHDPS) 		4 ALA A  84
ARG A 115
GLY A 113
GLU A 112
 None
 0.83A 5btgA-2yxgA:
undetectable
5btgB-2yxgA:
undetectable
5btgC-2yxgA:
undetectable		 5btgA-2yxgA:
22.17
5btgB-2yxgA:
22.68
5btgC-2yxgA:
22.17
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.
2yyz SUGAR ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		4 ALA A  85
ARG A 141
GLU A 175
ARG A 146
 None
SO4  A1002 (-2.7A)
None
None
 0.93A 5btgA-2yyzA:
undetectable
5btgB-2yyzA:
undetectable
5btgC-2yyzA:
undetectable		 5btgA-2yyzA:
22.49
5btgB-2yyzA:
21.67
5btgC-2yyzA:
22.49
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.
3ab0 ANTIBODY SCFV
FRAGMENT, LIGHT
CHAIN
BCLA PROTEIN

(Bacillus
anthracis;
Mus musculus) 		PF07686
(V-set)
no annotation 		4 ALA C  26
GLY A 157
THR A 125
GLU A 190
 None
 0.71A 5btgA-3ab0C:
undetectable
5btgB-3ab0C:
undetectable
5btgC-3ab0C:
undetectable		 5btgA-3ab0C:
13.29
5btgB-3ab0C:
14.23
5btgC-3ab0C:
13.29
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.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		4 ALA A 713
ARG A 707
GLY A 708
GLU A 550
 None
 0.87A 5btgA-3bdlA:
undetectable
5btgB-3bdlA:
undetectable
5btgC-3bdlA:
undetectable		 5btgA-3bdlA:
22.04
5btgB-3bdlA:
21.25
5btgC-3bdlA:
22.04
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.
3c3n DIHYDROOROTATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF01180
(DHO_dh) 		4 ALA A  14
ARG A 286
GLY A 282
GLU A 279
 ALA  A  14 ( 0.0A)
ARG  A 286 ( 0.6A)
GLY  A 282 ( 0.0A)
GLU  A 279 ( 0.5A)
 0.89A 5btgA-3c3nA:
undetectable
5btgB-3c3nA:
undetectable
5btgC-3c3nA:
undetectable		 5btgA-3c3nA:
20.95
5btgB-3c3nA:
21.00
5btgC-3c3nA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d8x THIOREDOXIN
REDUCTASE 1

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		4 ARG A  72
GLY A  43
THR A  84
GLU A  33
 None
 0.91A 5btgA-3d8xA:
undetectable
5btgB-3d8xA:
undetectable
5btgC-3d8xA:
undetectable		 5btgA-3d8xA:
23.13
5btgB-3d8xA:
23.60
5btgC-3d8xA:
23.13
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.
3da1 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Bacillus
halodurans) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ALA A 227
ARG A 378
GLY A 376
GLU A  85
 None
 0.74A 5btgA-3da1A:
undetectable
5btgB-3da1A:
undetectable
5btgC-3da1A:
undetectable		 5btgA-3da1A:
23.91
5btgB-3da1A:
19.35
5btgC-3da1A:
23.91
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.
3dip ENOLASE

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A  97
GLY A 299
THR A 275
GLU A 302
 None
 0.96A 5btgA-3dipA:
undetectable
5btgB-3dipA:
undetectable
5btgC-3dipA:
undetectable		 5btgA-3dipA:
24.46
5btgB-3dipA:
25.74
5btgC-3dipA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dm3 REPLICATION FACTOR A

(Methanocaldococcus
jannaschii) 		PF01336
(tRNA_anti-codon) 		4 ARG A  80
GLY A  82
THR A  57
GLU A  88
 None
NA  A 901 (-3.5A)
None
None
 0.96A 5btgA-3dm3A:
undetectable
5btgB-3dm3A:
undetectable
5btgC-3dm3A:
undetectable		 5btgA-3dm3A:
13.06
5btgB-3dm3A:
19.29
5btgC-3dm3A:
13.06
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.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 ALA A  91
ARG A  84
GLY A  83
GLU A 111
 None
SO4  A4637 (-3.8A)
SAM  A4633 (-3.4A)
None
 0.94A 5btgA-3eluA:
undetectable
5btgB-3eluA:
undetectable
5btgC-3eluA:
undetectable		 5btgA-3eluA:
20.16
5btgB-3eluA:
21.26
5btgC-3eluA:
20.16
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.
3evi PHOSDUCIN-LIKE
PROTEIN 2

(Homo sapiens) 		PF02114
(Phosducin) 		4 ALA A 201
ARG A 137
GLY A  90
GLU A  91
 None
 0.95A 5btgA-3eviA:
undetectable
5btgB-3eviA:
undetectable
5btgC-3eviA:
undetectable		 5btgA-3eviA:
14.25
5btgB-3eviA:
16.94
5btgC-3eviA:
14.25
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		4 ALA A  91
ARG A  84
GLY A  83
GLU A 111
 None
SO4  A 268 (-3.4A)
SAM  A4633 (-3.4A)
None
 0.95A 5btgA-3gczA:
undetectable
5btgB-3gczA:
undetectable
5btgC-3gczA:
undetectable		 5btgA-3gczA:
19.09
5btgB-3gczA:
23.24
5btgC-3gczA:
19.09
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.
3gg2 SUGAR DEHYDROGENASE,
UDP-GLUCOSE/GDP-MANN
OSE DEHYDROGENASE
FAMILY

(Porphyromonas
gingivalis) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ALA A  82
ARG A 186
GLY A 185
GLU A 215
 None
 0.83A 5btgA-3gg2A:
undetectable
5btgB-3gg2A:
undetectable
5btgC-3gg2A:
undetectable		 5btgA-3gg2A:
24.00
5btgB-3gg2A:
21.71
5btgC-3gg2A:
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.
3gxv REPLICATIVE DNA
HELICASE

(Helicobacter
pylori) 		PF00772
(DnaB) 		4 ALA A 104
GLY A  46
GLU A  50
ARG A 108
 None
 0.90A 5btgA-3gxvA:
undetectable
5btgB-3gxvA:
undetectable
5btgC-3gxvA:
undetectable		 5btgA-3gxvA:
13.50
5btgB-3gxvA:
19.60
5btgC-3gxvA:
13.50
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 ALA A  82
GLY A 161
THR A 188
GLU A 186
 None
None
U  E   1 ( 4.9A)
None
 0.92A 5btgA-3ie1A:
undetectable
5btgB-3ie1A:
undetectable
5btgC-3ie1A:
undetectable		 5btgA-3ie1A:
22.93
5btgB-3ie1A:
21.09
5btgC-3ie1A:
22.93
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 ALA A  85
GLY A 161
THR A 188
GLU A 186
 None
None
U  E   1 ( 4.9A)
None
 0.97A 5btgA-3ie1A:
undetectable
5btgB-3ie1A:
undetectable
5btgC-3ie1A:
undetectable		 5btgA-3ie1A:
22.93
5btgB-3ie1A:
21.09
5btgC-3ie1A:
22.93
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.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		4 ALA A 391
ARG A 431
GLY A 428
GLU A 427
 None
 0.83A 5btgA-3ihaA:
undetectable
5btgB-3ihaA:
undetectable
5btgC-3ihaA:
undetectable		 5btgA-3ihaA:
23.84
5btgB-3ihaA:
21.90
5btgC-3ihaA:
23.84
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.
3isl PURINE CATABOLISM
PROTEIN PUCG

(Bacillus
subtilis) 		PF00266
(Aminotran_5) 		4 ALA A 387
ARG A 341
GLY A 337
GLU A 338
 None
 0.97A 5btgA-3islA:
2.2
5btgB-3islA:
undetectable
5btgC-3islA:
2.2		 5btgA-3islA:
22.73
5btgB-3islA:
21.55
5btgC-3islA:
22.73
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		4 ALA A 635
ARG A 675
GLY A 673
GLU A 672
 FMT  A 823 ( 3.7A)
None
None
None
 0.95A 5btgA-3kflA:
undetectable
5btgB-3kflA:
undetectable
5btgC-3kflA:
undetectable		 5btgA-3kflA:
21.73
5btgB-3kflA:
19.85
5btgC-3kflA:
21.73
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.
3krz NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Thermoanaerobacter
pseudethanolicus) 		PF00724
(Oxidored_FMN) 		4 ALA A 123
ARG A  64
GLY A  65
GLU A  62
 None
 0.86A 5btgA-3krzA:
undetectable
5btgB-3krzA:
undetectable
5btgC-3krzA:
undetectable		 5btgA-3krzA:
22.49
5btgB-3krzA:
21.87
5btgC-3krzA:
22.49
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.
3o59 DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
horikoshii) 		PF03833
(PolC_DP2) 		4 ALA X 120
ARG X 245
GLY X 246
GLU X 190
 None
 0.94A 5btgA-3o59X:
undetectable
5btgB-3o59X:
undetectable
5btgC-3o59X:
undetectable		 5btgA-3o59X:
21.19
5btgB-3o59X:
24.61
5btgC-3o59X:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		4 ALA A  90
ARG A  62
GLY A  60
GLU A  59
 None
 0.79A 5btgA-3p0wA:
undetectable
5btgB-3p0wA:
undetectable
5btgC-3p0wA:
undetectable		 5btgA-3p0wA:
23.40
5btgB-3p0wA:
21.96
5btgC-3p0wA:
23.40
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.
3p13 D-RIBOSE PYRANASE

(Staphylococcus
aureus) 		PF05025
(RbsD_FucU) 		4 ARG A  52
GLY A 120
THR A 123
GLU A 121
 None
 0.92A 5btgA-3p13A:
undetectable
5btgB-3p13A:
undetectable
5btgC-3p13A:
undetectable		 5btgA-3p13A:
14.83
5btgB-3p13A:
21.26
5btgC-3p13A:
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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL

(Homo sapiens) 		PF00271
(Helicase_C)
PF12513
(SUV3_C) 		4 ALA A 217
ARG A 200
THR A 336
GLU A 338
 None
 0.87A 5btgA-3rc3A:
undetectable
5btgB-3rc3A:
2.4
5btgC-3rc3A:
undetectable		 5btgA-3rc3A:
22.36
5btgB-3rc3A:
16.42
5btgC-3rc3A:
22.36
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.
3rxy NIF3 PROTEIN

(Sphaerobacter
thermophilus) 		no annotation 4 ALA A 167
ARG A 141
GLY A 140
GLU A 138
 None
 0.83A 5btgA-3rxyA:
undetectable
5btgB-3rxyA:
undetectable
5btgC-3rxyA:
undetectable		 5btgA-3rxyA:
20.68
5btgB-3rxyA:
23.73
5btgC-3rxyA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t7v METHYLORNITHINE
SYNTHASE PYLB

(Methanosarcina
barkeri) 		PF04055
(Radical_SAM) 		4 ARG A 289
THR A 238
GLU A 258
ARG A  48
 None
 0.73A 5btgA-3t7vA:
undetectable
5btgB-3t7vA:
undetectable
5btgC-3t7vA:
undetectable		 5btgA-3t7vA:
24.86
5btgB-3t7vA:
23.90
5btgC-3t7vA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE

(Sphaerobacter
thermophilus) 		PF00583
(Acetyltransf_1) 		4 ALA A 261
GLY A 237
THR A 210
GLU A 213
 SO4  A 331 (-3.8A)
None
None
None
 0.88A 5btgA-3tt2A:
undetectable
5btgB-3tt2A:
undetectable
5btgC-3tt2A:
undetectable		 5btgA-3tt2A:
21.29
5btgB-3tt2A:
22.92
5btgC-3tt2A:
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 ALA A 290
GLY A 709
THR A 435
ARG A 294
 None
UE1  A 998 (-3.9A)
None
None
 0.77A 5btgA-3ue1A:
undetectable
5btgB-3ue1A:
undetectable
5btgC-3ue1A:
undetectable		 5btgA-3ue1A:
21.90
5btgB-3ue1A:
18.27
5btgC-3ue1A:
21.90
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.
3ved DYPB

(Rhodococcus
jostii) 		PF04261
(Dyp_perox) 		4 ALA A 131
ARG A 121
GLY A 120
GLU A 118
 None
 0.98A 5btgA-3vedA:
1.2
5btgB-3vedA:
undetectable
5btgC-3vedA:
undetectable		 5btgA-3vedA:
21.97
5btgB-3vedA:
25.22
5btgC-3vedA:
21.97
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.
3vz0 PUTATIVE
NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF00171
(Aldedh) 		5 ALA A 392
ARG A 141
GLY A 428
THR A 207
GLU A 230
 None
 1.42A 5btgA-3vz0A:
undetectable
5btgB-3vz0A:
2.5
5btgC-3vz0A:
undetectable		 5btgA-3vz0A:
23.98
5btgB-3vz0A:
19.61
5btgC-3vz0A:
23.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 ALA A 344
ARG A 320
GLY A  19
GLU A 109
 None
None
NA  A1212 ( 4.6A)
None
 0.87A 5btgA-3w5nA:
undetectable
5btgB-3w5nA:
undetectable
5btgC-3w5nA:
undetectable		 5btgA-3w5nA:
20.89
5btgB-3w5nA:
13.54
5btgC-3w5nA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		4 ALA A 192
ARG A 234
GLY A 224
GLU A 223
 None
 0.85A 5btgA-3wqyA:
2.8
5btgB-3wqyA:
undetectable
5btgC-3wqyA:
2.7		 5btgA-3wqyA:
21.70
5btgB-3wqyA:
15.51
5btgC-3wqyA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdn MONOAMINE OXIDASE N

(Aspergillus
niger) 		PF01593
(Amino_oxidase) 		4 ALA A  61
ARG A 476
GLY A 474
GLU A 473
 None
 0.92A 5btgA-3zdnA:
undetectable
5btgB-3zdnA:
undetectable
5btgC-3zdnA:
undetectable		 5btgA-3zdnA:
23.67
5btgB-3zdnA:
20.04
5btgC-3zdnA:
23.67
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ALA A 431
GLY A 346
THR A  75
ARG A 429
 None
None
FES  A3002 ( 4.3A)
FAD  A3005 ( 4.9A)
 0.82A 5btgA-3zyvA:
undetectable
5btgB-3zyvA:
undetectable
5btgC-3zyvA:
undetectable		 5btgA-3zyvA:
16.25
5btgB-3zyvA:
11.85
5btgC-3zyvA:
16.25
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 4 ARG A 319
GLY A 271
THR A 298
GLU A 292
 None
 0.77A 5btgA-4a7kA:
undetectable
5btgB-4a7kA:
undetectable
5btgC-4a7kA:
undetectable		 5btgA-4a7kA:
20.49
5btgB-4a7kA:
16.46
5btgC-4a7kA:
20.49
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.
4ewp 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Micrococcus
luteus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ALA A 315
ARG A  53
GLY A 169
ARG A  23
 None
 0.88A 5btgA-4ewpA:
undetectable
5btgB-4ewpA:
undetectable
5btgC-4ewpA:
undetectable		 5btgA-4ewpA:
25.51
5btgB-4ewpA:
21.86
5btgC-4ewpA:
25.51
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 ALA B1079
ARG B 624
THR B 589
GLU B 591
 None
 0.96A 5btgA-4f92B:
2.3
5btgB-4f92B:
2.7
5btgC-4f92B:
2.8		 5btgA-4f92B:
15.04
5btgB-4f92B:
10.15
5btgC-4f92B:
15.04
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.
4ibn RIBONUCLEASE H

(uncultured
organism) 		PF00075
(RNase_H) 		4 ALA A 162
ARG A  55
GLY A 179
GLU A 181
 None
 0.91A 5btgA-4ibnA:
undetectable
5btgB-4ibnA:
undetectable
5btgC-4ibnA:
undetectable		 5btgA-4ibnA:
18.93
5btgB-4ibnA:
24.23
5btgC-4ibnA:
18.93
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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		4 ALA A 202
ARG A 244
GLY A 246
GLU A 247
 None
 0.85A 5btgA-4kzkA:
undetectable
5btgB-4kzkA:
4.0
5btgC-4kzkA:
undetectable		 5btgA-4kzkA:
20.23
5btgB-4kzkA:
22.65
5btgC-4kzkA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		4 ARG A 244
GLY A 246
THR A 277
GLU A 247
 None
 0.88A 5btgA-4kzkA:
undetectable
5btgB-4kzkA:
4.0
5btgC-4kzkA:
undetectable		 5btgA-4kzkA:
20.23
5btgB-4kzkA:
22.65
5btgC-4kzkA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 ALA A 705
ARG A 826
GLY A 827
GLU A 830
 None
 0.90A 5btgA-4lglA:
2.5
5btgB-4lglA:
undetectable
5btgC-4lglA:
2.5		 5btgA-4lglA:
21.85
5btgB-4lglA:
12.92
5btgC-4lglA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		4 ALA A 275
ARG A  24
GLY A  22
GLU A  21
 None
 0.92A 5btgA-4mptA:
undetectable
5btgB-4mptA:
undetectable
5btgC-4mptA:
undetectable		 5btgA-4mptA:
23.50
5btgB-4mptA:
22.37
5btgC-4mptA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0s L-RIBOSE ISOMERASE

(Acinetobacter
sp. DL-28) 		no annotation 4 ALA A  49
ARG A 243
GLY A 242
THR A 213
 None
RB0  A 502 (-3.8A)
None
None
 0.78A 5btgA-4q0sA:
undetectable
5btgB-4q0sA:
undetectable
5btgC-4q0sA:
undetectable		 5btgA-4q0sA:
17.68
5btgB-4q0sA:
21.40
5btgC-4q0sA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s3k SPORE GERMINATION
PROTEIN YAAH

(Bacillus
megaterium) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		4 ALA A 230
ARG A 185
GLY A 184
GLU A 182
 None
 0.92A 5btgA-4s3kA:
undetectable
5btgB-4s3kA:
1.7
5btgC-4s3kA:
undetectable		 5btgA-4s3kA:
22.14
5btgB-4s3kA:
23.40
5btgC-4s3kA:
22.14
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.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		4 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.90A 5btgA-4up3A:
undetectable
5btgB-4up3A:
undetectable
5btgC-4up3A:
undetectable		 5btgA-4up3A:
21.63
5btgB-4up3A:
20.37
5btgC-4up3A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wfs TRNA-DIHYDROURIDINE(
20) SYNTHASE
[NAD(P)+]-LIKE

(Homo sapiens) 		PF01207
(Dus) 		4 ALA A 181
ARG A  28
THR A  76
GLU A  80
 None
 0.97A 5btgA-4wfsA:
undetectable
5btgB-4wfsA:
undetectable
5btgC-4wfsA:
undetectable		 5btgA-4wfsA:
21.24
5btgB-4wfsA:
23.14
5btgC-4wfsA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ALA A  14
ARG A 239
GLY A 246
GLU A 244
 None
 0.94A 5btgA-4z26A:
undetectable
5btgB-4z26A:
undetectable
5btgC-4z26A:
undetectable		 5btgA-4z26A:
21.09
5btgB-4z26A:
17.74
5btgC-4z26A:
21.09
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.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ARG A1106
GLY A1105
THR A1009
GLU A1047
 None
None
CL  A1202 ( 4.4A)
None
 0.96A 5btgA-4zdnA:
undetectable
5btgB-4zdnA:
undetectable
5btgC-4zdnA:
undetectable		 5btgA-4zdnA:
22.69
5btgB-4zdnA:
17.34
5btgC-4zdnA:
22.69
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.
5dud YBGK

(Escherichia
coli) 		PF02626
(CT_A_B) 		4 ALA A 288
ARG A 257
GLY A 179
GLU A 181
 None
 0.95A 5btgA-5dudA:
undetectable
5btgB-5dudA:
undetectable
5btgC-5dudA:
undetectable		 5btgA-5dudA:
20.44
5btgB-5dudA:
20.71
5btgC-5dudA:
20.44
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.
5foz LARVICIDAL TOXIN
PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		4 ALA B 390
ARG B 288
GLY B 290
GLU B 343
 None
 0.97A 5btgA-5fozB:
undetectable
5btgB-5fozB:
undetectable
5btgC-5fozB:
undetectable		 5btgA-5fozB:
21.60
5btgB-5fozB:
18.76
5btgC-5fozB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g4i PHOSPHOLYASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		4 ALA A 201
ARG A 242
GLY A 246
GLU A 275
 None
 0.91A 5btgA-5g4iA:
1.8
5btgB-5g4iA:
undetectable
5btgC-5g4iA:
1.8		 5btgA-5g4iA:
24.06
5btgB-5g4iA:
19.24
5btgC-5g4iA:
24.06
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A 302
GLY A 336
GLU A 338
ARG A 235
 None
None
None
FLC  A 509 (-2.8A)
 0.85A 5btgA-5hvfA:
3.5
5btgB-5hvfA:
2.8
5btgC-5hvfA:
3.4		 5btgA-5hvfA:
19.77
5btgB-5hvfA:
19.55
5btgC-5hvfA:
19.77
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.
5i4q ELONGATION FACTOR TU

(Escherichia
coli) 		PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 ARG C 270
GLY C 269
GLU C 268
ARG C 231
 None
 0.96A 5btgA-5i4qC:
undetectable
5btgB-5i4qC:
undetectable
5btgC-5i4qC:
undetectable		 5btgA-5i4qC:
17.69
5btgB-5i4qC:
22.14
5btgC-5i4qC:
17.69
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ARG A 381
GLY A 379
GLU A 378
ARG A 363
 None
 0.92A 5btgA-5i68A:
undetectable
5btgB-5i68A:
undetectable
5btgC-5i68A:
undetectable		 5btgA-5i68A:
22.70
5btgB-5i68A:
17.29
5btgC-5i68A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ALA A 205
ARG A 407
GLY A 408
GLU A 385
 None
 0.92A 5btgA-5keiA:
undetectable
5btgB-5keiA:
undetectable
5btgC-5keiA:
2.1		 5btgA-5keiA:
23.40
5btgB-5keiA:
20.99
5btgC-5keiA:
23.40
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 ALA A1128
ARG A 672
THR A 637
GLU A 639
 None
 0.94A 5btgA-5m59A:
1.6
5btgB-5m59A:
1.8
5btgC-5m59A:
1.6		 5btgA-5m59A:
15.62
5btgB-5m59A:
9.11
5btgC-5m59A:
15.62
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.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 4 ALA A 557
GLY A 575
THR A 656
GLU A 601
 None
 0.94A 5btgA-5n4cA:
undetectable
5btgB-5n4cA:
2.2
5btgC-5n4cA:
undetectable		 5btgA-5n4cA:
21.75
5btgB-5n4cA:
16.76
5btgC-5n4cA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 4 ARG A 557
GLY A 402
GLU A 401
ARG A 537
 None
 0.77A 5btgA-5n94A:
undetectable
5btgB-5n94A:
3.0
5btgC-5n94A:
undetectable		 5btgA-5n94A:
10.62
5btgB-5n94A:
17.99
5btgC-5n94A:
10.62
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 ALA A1338
ARG A1370
GLY A1385
THR A1363
 None
 0.78A 5btgA-5ngyA:
undetectable
5btgB-5ngyA:
undetectable
5btgC-5ngyA:
undetectable		 5btgA-5ngyA:
17.87
5btgB-5ngyA:
12.22
5btgC-5ngyA:
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 4 ALA A  91
ARG A  84
GLY A  83
GLU A 111
 None
None
SAH  A1001 (-3.4A)
None
 0.92A 5btgA-5njuA:
undetectable
5btgB-5njuA:
undetectable
5btgC-5njuA:
undetectable		 5btgA-5njuA:
9.74
5btgB-5njuA:
18.41
5btgC-5njuA:
9.74
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.
5nst HEAVY CHAIN OF
ANTIBODY MGD21

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF13895
(Ig_2) 		4 ARG B 134
GLY B 135
THR B 161
GLU B 165
 GOL  B 402 (-3.4A)
None
None
None
 0.79A 5btgA-5nstB:
undetectable
5btgB-5nstB:
undetectable
5btgC-5nstB:
undetectable		 5btgA-5nstB:
20.98
5btgB-5nstB:
20.83
5btgC-5nstB:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1h OUTER MEMBRANE PORIN
F

(Pseudomonas
aeruginosa) 		PF00691
(OmpA) 		4 ALA A  67
ARG A  84
GLY A  82
GLU A  81
 None
 0.93A 5btgA-5u1hA:
undetectable
5btgB-5u1hA:
2.8
5btgC-5u1hA:
undetectable		 5btgA-5u1hA:
15.37
5btgB-5u1hA:
20.70
5btgC-5u1hA:
15.37
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.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 4 ALA A 158
ARG A  91
GLY A 480
THR A 107
 None
 0.91A 5btgA-5u2oA:
undetectable
5btgB-5u2oA:
undetectable
5btgC-5u2oA:
undetectable		 5btgA-5u2oA:
10.81
5btgB-5u2oA:
17.02
5btgC-5u2oA:
10.81
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.
5u4o ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bacillus
anthracis) 		PF00496
(SBP_bac_5) 		4 ALA A  54
ARG A 514
GLU A 516
ARG A  50
 None
 0.82A 5btgA-5u4oA:
4.8
5btgB-5u4oA:
undetectable
5btgC-5u4oA:
4.9		 5btgA-5u4oA:
21.42
5btgB-5u4oA:
21.35
5btgC-5u4oA:
21.42
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.
5w4c THIOREDOXIN
REDUCTASE

(Cryptococcus
neoformans) 		no annotation 4 ARG A  99
GLY A  70
THR A 111
GLU A  60
 None
FAD  A 401 ( 4.5A)
None
None
 0.95A 5btgA-5w4cA:
undetectable
5btgB-5w4cA:
undetectable
5btgC-5w4cA:
undetectable		 5btgA-5w4cA:
10.38
5btgB-5w4cA:
15.26
5btgC-5w4cA:
10.38
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		4 ALA A 193
ARG A 221
THR A 248
GLU A 250
 None
 0.85A 5btgA-5w70A:
0.8
5btgB-5w70A:
undetectable
5btgC-5w70A:
0.8		 5btgA-5w70A:
23.70
5btgB-5w70A:
20.76
5btgC-5w70A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x45 PROTEASE 2A

(Rhinovirus C) 		no annotation 4 ALA A  30
ARG A 133
GLY A 117
THR A  54
 None
 0.96A 5btgA-5x45A:
undetectable
5btgB-5x45A:
undetectable
5btgC-5x45A:
undetectable		 5btgA-5x45A:
10.75
5btgB-5x45A:
19.47
5btgC-5x45A:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 4 ALA A 228
ARG A 295
GLY A 200
GLU A 293
 None
 0.97A 5btgA-5x4jA:
2.6
5btgB-5x4jA:
undetectable
5btgC-5x4jA:
3.3		 5btgA-5x4jA:
10.60
5btgB-5x4jA:
17.11
5btgC-5x4jA:
10.60
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.
5xev XAA-PRO
DIPEPTIDASE,PEPTIDAS
E-RELATED PROTEIN

(Deinococcus
radiodurans) 		no annotation 4 ALA A 139
ARG A 295
GLY A 294
GLU A 291
 None
 0.91A 5btgA-5xevA:
undetectable
5btgB-5xevA:
undetectable
5btgC-5xevA:
undetectable		 5btgA-5xevA:
23.96
5btgB-5xevA:
21.84
5btgC-5xevA:
23.96
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.
5z95 -

(-) 		no annotation 4 ALA A 102
ARG A 229
GLY A 225
GLU A 226
 None
 0.69A 5btgA-5z95A:
undetectable
5btgB-5z95A:
3.1
5btgC-5z95A:
undetectable		 5btgA-5z95A:
undetectable
5btgB-5z95A:
undetectable
5btgC-5z95A:
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.
6az1 RIBOSOMAL PROTEIN
S28E
RIBOSOMAL PROTEIN S7

(Leishmania
donovani) 		no annotation 4 ALA H  23
GLY d  65
THR d  33
ARG H 132
 None
 0.97A 5btgA-6az1H:
undetectable
5btgB-6az1H:
undetectable
5btgC-6az1H:
undetectable		 5btgA-6az1H:
11.53
5btgB-6az1H:
15.81
5btgC-6az1H:
11.53
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.
6bwv TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER 9

(Homo sapiens) 		no annotation 4 ALA A 192
ARG A 221
GLY A 159
ARG A 151
 None
 0.70A 5btgA-6bwvA:
undetectable
5btgB-6bwvA:
undetectable
5btgC-6bwvA:
undetectable		 5btgA-6bwvA:
11.45
5btgB-6bwvA:
17.57
5btgC-6bwvA:
11.45
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 4 ALA A1616
ARG A1904
GLY A2497
GLU A2499
 None
 0.91A 5btgA-6fayA:
undetectable
5btgB-6fayA:
undetectable
5btgC-6fayA:
undetectable		 5btgA-6fayA:
11.41
5btgB-6fayA:
16.53
5btgC-6fayA:
11.41
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 ALA A 367
ARG A 223
GLY A 470
THR A 166
GLU A 227
 None
 1.43A 5btgA-6fhwA:
undetectable
5btgB-6fhwA:
undetectable
5btgC-6fhwA:
undetectable		 5btgA-6fhwA:
15.97
5btgB-6fhwA:
14.23
5btgC-6fhwA:
15.97