SIMILAR PATTERNS OF AMINO ACIDS FOR 5BW4_A_SAMA301_0

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.
1a6c TOBACCO RINGSPOT
VIRUS CAPSID PROTEIN

(Tobacco
ringspot virus) 		PF03391
(Nepo_coat)
PF03688
(Nepo_coat_C)
PF03689
(Nepo_coat_N) 		5 GLY A 127
GLY A 121
THR A 178
PRO A  56
ILE A  53
 None
 1.19A 5bw4A-1a6cA:
undetectable		 5bw4A-1a6cA:
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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A   9
GLY A  12
THR A  18
ASP A  33
ILE A  67
 NAI  A 400 (-3.3A)
NAI  A 400 (-3.3A)
None
NAI  A 400 (-2.7A)
NAI  A 400 (-3.8A)
 1.10A 5bw4A-1ek6A:
5.5		 5bw4A-1ek6A:
25.14
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.
1f3l PROTEIN ARGININE
METHYLTRANSFERASE
PRMT3

(Rattus
norvegicus) 		PF06325
(PrmA) 		5 GLY A 260
GLY A 262
ASP A 282
ILE A 310
GLU A 311
 SAH  A 529 (-3.1A)
SAH  A 529 ( 3.7A)
SAH  A 529 (-2.7A)
SAH  A 529 (-4.3A)
SAH  A 529 (-3.7A)
 0.78A 5bw4A-1f3lA:
5.1		 5bw4A-1f3lA:
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.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  80
GLY A  82
THR A  86
GLU A 132
LEU A 144
 SAH  A 900 (-3.3A)
SAH  A 900 (-3.1A)
None
SAH  A 900 (-3.1A)
SAH  A 900 (-4.3A)
 1.19A 5bw4A-1kpiA:
10.1		 5bw4A-1kpiA:
23.64
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.
1kyh HYPOTHETICAL 29.9
KDA PROTEIN IN
SIGY-CYDD INTERGENIC
REGION

(Bacillus
subtilis) 		PF01256
(Carb_kinase) 		5 GLY A 215
GLY A 213
ASP A 216
PRO A 103
LEU A 209
 None
 1.19A 5bw4A-1kyhA:
4.1		 5bw4A-1kyhA:
25.48
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.
1pvd PYRUVATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 443
GLY A 445
THR A 450
ASP A 444
ILE A 538
 TPP  A 557 (-3.5A)
TPP  A 557 (-3.4A)
None
MG  A 558 (-2.8A)
None
 0.93A 5bw4A-1pvdA:
3.6		 5bw4A-1pvdA:
18.87
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.
1r4n UBIQUITIN-ACTIVATING
ENZYME E1C

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind) 		5 GLY B  55
ASP B  79
ILE B 127
LEU B  63
LEU B 145
 ATP  B   5 ( 4.0A)
ATP  B   5 (-2.7A)
ATP  B   5 (-4.0A)
None
ATP  B   5 (-4.5A)
 1.04A 5bw4A-1r4nB:
4.5		 5bw4A-1r4nB:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLY A 171
THR A 220
ILE A 443
LYS A  68
LEU A  54
 None
 1.17A 5bw4A-1s5jA:
undetectable		 5bw4A-1s5jA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sv0 MODULATOR OF THE
ACTIVITY OF ETS
CG15085-PA

(Drosophila
melanogaster) 		PF02198
(SAM_PNT) 		5 GLY C  96
GLY C  99
ASP C  98
TRP C 107
LEU C 102
 None
 1.19A 5bw4A-1sv0C:
undetectable		 5bw4A-1sv0C:
16.21
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.
1u0m PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 141
GLY A 332
THR A 338
ILE A 162
LEU A 136
 None
 1.02A 5bw4A-1u0mA:
undetectable		 5bw4A-1u0mA:
24.09
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.
1u0m PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 142
GLY A 332
THR A 338
ILE A 162
LEU A 136
 None
 1.14A 5bw4A-1u0mA:
undetectable		 5bw4A-1u0mA:
24.09
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.
1u8x MALTOSE-6'-PHOSPHATE
GLUCOSIDASE

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY X  12
GLY X  14
ASP X  41
ILE X 131
GLU X 130
 NAD  X 900 (-3.6A)
NAD  X 900 (-3.4A)
NAD  X 900 (-2.7A)
None
NAD  X 900 ( 4.5A)
 0.80A 5bw4A-1u8xX:
2.9		 5bw4A-1u8xX:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdz METHYLTRANSFERASE
GIDB

(Bacillus
subtilis) 		PF02527
(GidB) 		5 GLY A  77
GLY A  79
ASP A 100
ARG A 105
GLU A 129
 None
 1.09A 5bw4A-1xdzA:
11.7		 5bw4A-1xdzA:
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.
1y8q UBIQUITIN-LIKE 2
ACTIVATING ENZYME
E1B

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL)
PF16195
(UBA2_C) 		5 GLY B  24
ASP B  48
ILE B  96
LEU B  32
LEU B 116
 ATP  B 802 ( 3.9A)
ATP  B 802 (-2.9A)
ATP  B 802 (-4.2A)
None
ATP  B 802 (-4.5A)
 0.98A 5bw4A-1y8qB:
5.5		 5bw4A-1y8qB:
18.68
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.
1yd9 CORE HISTONE
MACRO-H2A.1

(Rattus
norvegicus) 		PF01661
(Macro) 		5 GLY A  51
GLY A  47
ILE A  28
LYS A  57
LEU A  54
 None
 0.97A 5bw4A-1yd9A:
undetectable		 5bw4A-1yd9A:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 195
GLY A 199
ASP A 198
LEU A 177
LEU A 202
 GOL  A 755 ( 3.8A)
None
GOL  A 755 ( 4.2A)
None
None
 1.19A 5bw4A-1yr2A:
undetectable		 5bw4A-1yr2A:
17.07
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.
1yyr TRICHODIENE SYNTHASE

(Fusarium
sporotrichioides) 		PF06330
(TRI5) 		5 GLY A 188
GLY A 186
THR A  96
ARG A 182
ILE A 214
 None
SAZ  A 709 (-3.8A)
SAZ  A 709 (-3.9A)
SAZ  A 709 ( 3.8A)
None
 1.07A 5bw4A-1yyrA:
undetectable		 5bw4A-1yyrA:
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.
2apj PUTATIVE ESTERASE

(Arabidopsis
thaliana) 		PF03629
(SASA) 		5 GLY A  95
GLY A  93
ILE A  64
LEU A 251
LEU A 115
 None
 1.14A 5bw4A-2apjA:
undetectable		 5bw4A-2apjA:
23.41
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		6 GLY A  50
GLY A  52
ASP A  71
PRO A  72
GLU A  94
LEU A 107
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-4.2A)
SAI  A1300 (-3.0A)
None
 0.92A 5bw4A-2avnA:
3.7		 5bw4A-2avnA:
26.21
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		6 GLY A  50
GLY A  52
ASP A  71
PRO A  72
GLU A  94
LEU A 109
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-4.2A)
SAI  A1300 (-3.0A)
SAI  A1300 (-4.7A)
 0.68A 5bw4A-2avnA:
3.7		 5bw4A-2avnA:
26.21
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.
2c4n PROTEIN NAGD

(Escherichia
coli) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 GLY A 223
ASP A 201
ILE A 207
LEU A 227
LEU A 203
 None
MG  A1251 (-2.6A)
None
None
None
 1.07A 5bw4A-2c4nA:
undetectable		 5bw4A-2c4nA:
21.86
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.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 5 GLY A  29
ASP A  25
PRO A  26
GLU A 107
TRP A  99
 None
 1.16A 5bw4A-2cl2A:
undetectable		 5bw4A-2cl2A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i3b HUMAN CANCER-RELATED
NTPASE

(Homo sapiens) 		PF03266
(NTPase_1) 		5 GLY A  34
THR A  57
ILE A 111
LEU A  90
LEU A  95
 None
 1.12A 5bw4A-2i3bA:
undetectable		 5bw4A-2i3bA:
19.93
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY A  14
GLY A 445
GLU A  17
LEU A  10
LEU A  15
 None
 1.06A 5bw4A-2ifyA:
3.3		 5bw4A-2ifyA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ijr HYPOTHETICAL PROTEIN
API92

(Yersinia
pseudotuberculosis) 		PF06924
(DUF1281) 		5 GLY A  47
GLY A  50
PRO A  54
LEU A  45
LEU A  66
 None
 1.06A 5bw4A-2ijrA:
undetectable		 5bw4A-2ijrA:
20.63
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.
2jh9 VP4 CORE PROTEIN

(Bluetongue
virus) 		PF05059
(Orbi_VP4) 		5 GLY A 197
GLY A 199
THR A 203
ASP A 224
PRO A 225
 None
 0.78A 5bw4A-2jh9A:
5.5		 5bw4A-2jh9A:
17.96
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 GLY B2055
ASP B2079
ILE B2127
LEU B2063
LEU B2145
 ATP  B 103 ( 4.1A)
ATP  B 103 (-2.8A)
ATP  B 103 (-3.9A)
None
ATP  B 103 ( 4.9A)
 1.10A 5bw4A-2nvuB:
5.2		 5bw4A-2nvuB:
15.11
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.
2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  63
GLY A  61
ASP A  64
PRO A 136
LEU A 109
 None
 1.03A 5bw4A-2wekA:
4.9		 5bw4A-2wekA:
24.21
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 267
GLY A 263
THR A 484
ILE A 271
LEU A  39
 None
 1.17A 5bw4A-3aqpA:
undetectable		 5bw4A-3aqpA:
17.74
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.
3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF01336
(tRNA_anti-codon)
PF08489
(DUF1743) 		6 GLY A 144
GLY A 141
ASP A   8
ILE A  43
LEU A 117
LEU A  45
 None
 1.14A 5bw4A-3au7A:
undetectable		 5bw4A-3au7A:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 GLY A2054
GLY A2052
PRO A2331
LEU A2047
LYS A2321
 None
 1.15A 5bw4A-3cmuA:
undetectable		 5bw4A-3cmuA:
8.97
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.
3djd FRUCTOSYL AMINE:
OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 GLY A  13
GLY A  15
THR A  21
ASP A  37
PRO A  38
 FAD  A 500 (-3.5A)
FAD  A 500 (-3.2A)
None
FAD  A 500 (-2.7A)
FAD  A 500 (-4.3A)
 1.19A 5bw4A-3djdA:
undetectable		 5bw4A-3djdA:
22.38
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.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 GLY A 114
GLY A 116
ASP A 137
GLU A 165
LEU A 179
 SAM  A 300 (-3.5A)
SAM  A 300 ( 3.7A)
SAM  A 300 (-2.9A)
None
SAM  A 300 (-4.0A)
 1.07A 5bw4A-3fzgA:
3.8		 5bw4A-3fzgA:
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 GLY A 241
GLY A 239
THR A 277
ASP A 242
ILE A 191
 None
RIB  A 305 ( 4.5A)
None
RIB  A 305 (-2.9A)
None
 0.82A 5bw4A-3go7A:
undetectable		 5bw4A-3go7A:
28.97
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 GLY A 617
GLY A 427
ASP A 424
LEU A 650
LEU A 626
 None
 1.16A 5bw4A-3j09A:
undetectable		 5bw4A-3j09A:
17.52
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.
3kyd SUMO-ACTIVATING
ENZYME SUBUNIT 2

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL) 		6 GLY B  24
GLY B  26
ASP B  48
ILE B  96
LEU B  32
LEU B 116
 None
 1.31A 5bw4A-3kydB:
5.5		 5bw4A-3kydB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
ILE A 154
LEU A 107
LEU A 170
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.2A)
 1.13A 5bw4A-3lgaA:
11.1		 5bw4A-3lgaA:
22.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		6 GLY A  32
GLY A  34
ASP A  55
ARG A  60
LEU A 102
LEU A 108
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-2.9A)
SAH  A 216 (-4.5A)
SAH  A 216 (-4.6A)
SAH  A 216 (-4.0A)
 0.75A 5bw4A-3mq2A:
26.3		 5bw4A-3mq2A:
35.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		7 GLY A  32
GLY A  34
THR A 191
ASP A  55
GLU A  88
LEU A 102
LEU A 108
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-2.7A)
SAH  A 216 (-2.9A)
SAH  A 216 (-2.9A)
SAH  A 216 (-4.6A)
SAH  A 216 (-4.0A)
 1.35A 5bw4A-3mq2A:
26.3		 5bw4A-3mq2A:
35.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		7 GLY A  32
THR A 191
ASP A  55
GLU A  88
LEU A 102
TRP A 105
LEU A 108
 SAH  A 216 (-3.5A)
SAH  A 216 (-2.7A)
SAH  A 216 (-2.9A)
SAH  A 216 (-2.9A)
SAH  A 216 (-4.6A)
SAH  A 216 (-4.5A)
SAH  A 216 (-4.0A)
 1.31A 5bw4A-3mq2A:
26.3		 5bw4A-3mq2A:
35.29
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.
3nhz TWO COMPONENT SYSTEM
TRANSCRIPTIONAL
REGULATOR MTRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg) 		5 GLY A  27
GLY A  29
ARG A   5
ILE A  23
GLU A  19
 None
 1.14A 5bw4A-3nhzA:
undetectable		 5bw4A-3nhzA:
22.39
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.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 376
THR A 293
ASP A 375
ARG A 302
LEU A 328
 None
 1.02A 5bw4A-3nyqA:
undetectable		 5bw4A-3nyqA:
26.90
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.
3sxp ADP-L-GLYCERO-D-MANN
OHEPTOSE-6-EPIMERASE

(Helicobacter
pylori) 		PF01370
(Epimerase) 		5 GLY A 254
THR A 298
ILE A 232
GLU A 194
LEU A 184
 None
 1.12A 5bw4A-3sxpA:
5.4		 5bw4A-3sxpA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3un6 HYPOTHETICAL PROTEIN
SAOUHSC_00137

(Staphylococcus
aureus) 		PF13379
(NMT1_2) 		5 GLY A 211
THR A 207
ASP A 212
ILE A 215
GLU A 293
 None
 1.15A 5bw4A-3un6A:
undetectable		 5bw4A-3un6A:
22.16
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.
3up3 ACEDAF-12

(Ancylostoma
ceylanicum) 		PF00104
(Hormone_recep) 		5 GLY A 524
ARG A 605
ILE A 596
LEU A 529
LEU A 654
 None
None
None
XCA  A 100 (-4.3A)
None
 1.05A 5bw4A-3up3A:
undetectable		 5bw4A-3up3A:
24.32
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.
3wdy BETA-1,3-1,4-GLUCANA
SE

(Paecilomyces
sp.
'thermophila') 		no annotation 5 GLY A  28
ASP A  24
PRO A  25
GLU A  72
TRP A  97
 None
None
None
None
CBI  A 301 (-4.7A)
 1.05A 5bw4A-3wdyA:
undetectable		 5bw4A-3wdyA:
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.
3wv7 HMD CO-OCCURRING
PROTEIN HCGE

(Methanothermobacter
marburgensis) 		PF00899
(ThiF) 		5 GLY A  20
GLY A  22
THR A  28
ASP A  47
ILE A  92
 ADP  A 301 ( 3.9A)
ADP  A 301 (-3.2A)
None
ADP  A 301 (-2.8A)
ADP  A 301 (-4.6A)
 0.96A 5bw4A-3wv7A:
4.5		 5bw4A-3wv7A:
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.
4bi5 TRIOSEPHOSPHATE
ISOMERASE

(Giardia
intestinalis) 		PF00121
(TIM) 		5 GLY A 233
ARG A   4
ILE A   8
LEU A 225
LEU A 252
 None
 1.10A 5bw4A-4bi5A:
undetectable		 5bw4A-4bi5A:
22.45
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.
4bkm PYRIDOXAL PHOSPHATE
PHOSPHATASE,
PHOSPHOGLYCOLATE
PHOSPHATASE,
PYRIDOXAL PHOSPHATE
PHOSPHATASE

(Mus musculus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 GLY A 269
ASP A 247
ILE A 253
LEU A 273
LEU A 249
 None
MG  A1304 (-2.1A)
None
None
None
 1.09A 5bw4A-4bkmA:
undetectable		 5bw4A-4bkmA:
26.35
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.
4bx0 PYRIDOXAL PHOSPHATE
PHOSPHATASE

(Mus musculus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 GLY A 256
ASP A 234
ILE A 240
LEU A 260
LEU A 236
 None
MG  A1291 (-2.5A)
None
None
None
 1.09A 5bw4A-4bx0A:
undetectable		 5bw4A-4bx0A:
27.73
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.
4hg2 METHYLTRANSFERASE
TYPE 11

(Anaeromyxobacter
dehalogenans) 		PF08241
(Methyltransf_11) 		5 GLY A  44
GLY A  46
ASP A  65
PRO A  66
GLU A  88
 None
 0.78A 5bw4A-4hg2A:
10.1		 5bw4A-4hg2A:
26.76
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY B  52
GLY B  54
THR B  58
ASP B  73
LEU B 117
 SAM  B 301 (-3.5A)
SAM  B 301 (-3.4A)
None
SAM  B 301 (-3.1A)
None
 1.07A 5bw4A-4htfB:
12.0		 5bw4A-4htfB:
27.48
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.
4m47 DNA POLYMERASE BETA

(Homo sapiens) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		5 GLY A 144
ASP A 145
PRO A 251
ILE A 150
GLU A 154
 None
 1.03A 5bw4A-4m47A:
undetectable		 5bw4A-4m47A:
21.86
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.
4mx8 PERIPLASMIC BINDING
PROTEIN

(Xylanimonas
cellulosilytica) 		PF01497
(Peripla_BP_2) 		5 GLY A 207
GLY A 204
PRO A 196
ILE A 210
LEU A 194
 None
 1.13A 5bw4A-4mx8A:
undetectable		 5bw4A-4mx8A:
24.38
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 GLY D 101
GLY D 236
THR D 144
LEU D 106
LEU D 245
 None
 1.18A 5bw4A-4ngeD:
undetectable		 5bw4A-4ngeD:
14.17
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.
4oc8 RESTRICTION
ENDONUCLEASE ASPBHI

(Azoarcus sp.
BH72) 		PF04471
(Mrr_cat) 		5 GLY A 331
THR A 260
PRO A 353
ILE A 322
LEU A 302
 None
 1.05A 5bw4A-4oc8A:
undetectable		 5bw4A-4oc8A:
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.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		7 GLY Y  32
GLY Y  34
ASP Y  55
PRO Y  56
GLU Y  88
LEU Y 104
LEU Y 110
 SFG  Y 301 (-3.9A)
SFG  Y 301 (-3.1A)
SFG  Y 301 (-2.8A)
SFG  Y 301 (-4.4A)
SFG  Y 301 (-3.6A)
SFG  Y 301 (-4.6A)
SFG  Y 301 (-4.0A)
 0.48A 5bw4A-4ox9Y:
26.3		 5bw4A-4ox9Y:
27.63
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.
4q05 ESTERASE E25

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 216
GLY A 187
THR A 192
LEU A 212
LEU A 284
 None
 1.13A 5bw4A-4q05A:
undetectable		 5bw4A-4q05A:
27.25
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 GLY A 913
GLY A 956
THR A 759
ILE A 907
LEU A 959
 None
 0.99A 5bw4A-4q73A:
undetectable		 5bw4A-4q73A:
15.28
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.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		6 GLY A 130
GLY A 132
ASP A 152
PRO A 153
ILE A 181
GLU A 182
 None
None
None
None
SO4  A 402 (-4.0A)
SO4  A 404 (-4.7A)
 0.59A 5bw4A-4qnxA:
11.7		 5bw4A-4qnxA:
23.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rx1 PUTATIVE RRNA
METHYLTRANSFERASE

(Sorangium
cellulosum) 		no annotation 5 GLY A  32
GLY A  34
ASP A  55
PRO A  56
TRP A 107
 GOL  A 303 (-3.7A)
None
GOL  A 303 ( 4.2A)
None
GOL  A 303 (-3.2A)
 0.59A 5bw4A-4rx1A:
25.7		 5bw4A-4rx1A:
34.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rx1 PUTATIVE RRNA
METHYLTRANSFERASE

(Sorangium
cellulosum) 		no annotation 5 GLY A  32
GLY A  34
PRO A  56
TRP A 107
LEU A 110
 GOL  A 303 (-3.7A)
None
None
GOL  A 303 (-3.2A)
None
 0.93A 5bw4A-4rx1A:
25.7		 5bw4A-4rx1A:
34.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rzz PEPTIDASE M24

(Ruegeria
lacuscaerulensis) 		PF00557
(Peptidase_M24) 		5 GLY A 110
ASP A 109
ILE A  67
LEU A 129
LEU A 106
 None
 1.12A 5bw4A-4rzzA:
undetectable		 5bw4A-4rzzA:
21.33
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 GLY A  86
GLY A  88
THR A  93
ASP A 113
LEU A 160
 SAH  A 801 (-3.0A)
SAH  A 801 (-3.2A)
None
SAH  A 801 (-3.0A)
SAH  A 801 ( 4.9A)
 0.96A 5bw4A-4uy6A:
10.3		 5bw4A-4uy6A:
22.89
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.
4xhv LP20995P

(Drosophila
melanogaster) 		PF00595
(PDZ) 		5 GLY A1272
GLY A1270
THR A1337
ILE A1296
LEU A1334
 None
 1.00A 5bw4A-4xhvA:
undetectable		 5bw4A-4xhvA:
15.47
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.
4xqe HOMOSPERMIDINE
SYNTHASE

(Blastochloris
viridis) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 GLY A  18
GLY A  20
THR A  26
ASP A  45
PRO A  46
 NAD  A 501 ( 3.9A)
NAD  A 501 (-3.3A)
None
NAD  A 501 (-2.7A)
NAD  A 501 (-4.1A)
 1.03A 5bw4A-4xqeA:
undetectable		 5bw4A-4xqeA:
22.13
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.
4ywe PUTATIVE ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 GLY A 278
GLY A 321
THR A  92
PRO A 365
ILE A 274
 None
 0.99A 5bw4A-4yweA:
undetectable		 5bw4A-4yweA:
23.23
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.
4zbt ACETOACETATE
DECARBOXYLASE

(Streptomyces
bingchenggensis) 		PF06314
(ADC) 		5 GLY A  30
GLY A 245
THR A 242
ILE A  63
LEU A 224
 None
 1.18A 5bw4A-4zbtA:
undetectable		 5bw4A-4zbtA:
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.
4zon VERRUCULOGEN
SYNTHASE

(Aspergillus
fumigatus) 		PF05721
(PhyH) 		5 GLY A  29
GLY A 171
ARG A 174
LEU A   9
LEU A  25
 None
 1.06A 5bw4A-4zonA:
undetectable		 5bw4A-4zonA:
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.
4zwj CHIMERA PROTEIN OF
HUMAN RHODOPSIN,
MOUSE S-ARRESTIN,
AND T4 ENDOLYSIN

(Homo sapiens;
Mus musculus;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00339
(Arrestin_N)
PF00959
(Phage_lysozyme)
PF02752
(Arrestin_C)
PF10413
(Rhodopsin_N) 		5 GLY A1028
ILE A1058
LEU A1032
LYS A1065
LEU A1066
 None
 1.15A 5bw4A-4zwjA:
undetectable		 5bw4A-4zwjA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bjx WLAL PROTEIN

(Campylobacter
jejuni) 		no annotation 5 GLY A 278
GLY A 280
ASP A 303
ILE A 330
LEU A 287
 NAD  A 702 (-3.2A)
NAD  A 702 (-4.1A)
NAD  A 702 (-2.7A)
NAD  A 702 (-4.0A)
None
 1.00A 5bw4A-5bjxA:
5.3		 5bw4A-5bjxA:
19.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bw4 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Catenulispora
acidiphila) 		no annotation 12 GLY A  38
GLY A  40
THR A  44
ASP A  61
PRO A  62
ARG A  66
ILE A  93
GLU A  94
LEU A 110
TRP A 113
LYS A 115
LEU A 116
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.3A)
SAM  A 301 (-2.8A)
SAM  A 301 (-4.5A)
SAM  A 301 (-2.9A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-3.7A)
None
SAM  A 301 (-4.0A)
 0.00A 5bw4A-5bw4A:
22.0		 5bw4A-5bw4A:
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.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni) 		no annotation 5 GLY A 206
GLY A 204
THR A 113
ILE A 218
LEU A  23
 None
A3P  A 301 ( 4.3A)
None
None
None
 1.01A 5bw4A-5bykA:
undetectable		 5bw4A-5bykA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dl7 PORIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 GLY A  62
GLY A  92
PRO A  80
LEU A  38
LEU A 126
 None
 1.08A 5bw4A-5dl7A:
undetectable		 5bw4A-5dl7A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dm4 METHYLTRANSFERASE
DOMAIN FAMILY

(Bacillus
pumilus) 		PF13489
(Methyltransf_23) 		5 GLY A  67
GLY A  69
ASP A  90
ILE A 113
LEU A 127
 SAH  A 300 (-3.6A)
SAH  A 300 ( 3.7A)
SAH  A 300 (-2.8A)
SAH  A 300 (-4.5A)
None
 0.85A 5bw4A-5dm4A:
4.4		 5bw4A-5dm4A:
17.73
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.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		5 GLY B 376
THR B 382
ASP B 377
ILE B 342
LEU B 346
 None
 1.17A 5bw4A-5ey5B:
undetectable		 5bw4A-5ey5B:
24.05
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.
5g5a GLUTATHIONE
S-TRANSFERASE U25

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 GLY A 151
GLY A 146
THR A 143
ILE A  71
LEU A  84
 None
 1.18A 5bw4A-5g5aA:
undetectable		 5bw4A-5g5aA:
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  76
ASP A 144
ILE A  94
LEU A 105
LEU A  91
 None
 1.04A 5bw4A-5gmsA:
undetectable		 5bw4A-5gmsA:
27.69
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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		5 GLY A 385
GLY A 407
ASP A 401
LEU A  27
LEU A 382
 None
 1.07A 5bw4A-5gslA:
undetectable		 5bw4A-5gslA:
17.98
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.
5gsm EXO-BETA-D-GLUCOSAMI
NIDASE

(Thermococcus
kodakarensis) 		PF02449
(Glyco_hydro_42) 		5 GLY A 383
GLY A 405
ASP A 399
LEU A  25
LEU A 380
 None
 1.06A 5bw4A-5gsmA:
undetectable		 5bw4A-5gsmA:
15.65
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.
5iaa UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5

(Homo sapiens) 		PF00899
(ThiF) 		5 GLY A  80
GLY A  82
THR A  88
ASP A 104
ILE A 151
 None
 1.08A 5bw4A-5iaaA:
4.7		 5bw4A-5iaaA:
21.88
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 GLY A 432
ASP A 190
PRO A 191
ILE A 188
LEU A 391
 None
None
None
None
COH  A 602 (-4.2A)
 1.17A 5bw4A-5ikrA:
undetectable		 5bw4A-5ikrA:
17.83
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.
5iz5 CYTOSOLIC
PHOSPHOLIPASE A2
DELTA

(Homo sapiens) 		no annotation 5 GLY B 329
GLY B 331
THR B 366
GLU B 681
LEU B 338
 None
None
SO4  B 910 (-4.6A)
None
None
 1.14A 5bw4A-5iz5B:
undetectable		 5bw4A-5iz5B:
16.17
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.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00180
(Iso_dh) 		5 GLY A  69
GLY A  73
ILE A 359
LYS A 347
LEU A 346
 None
 0.95A 5bw4A-5j32A:
undetectable		 5bw4A-5j32A:
26.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jvv BETA-1,3-GLUCOSYLTRA
NSFERASE

(Paecilomyces
sp.
'thermophila') 		no annotation 5 GLY B  30
ASP B  26
PRO B  27
GLU B  77
TRP B 102
 None
 1.12A 5bw4A-5jvvB:
undetectable		 5bw4A-5jvvB:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzm TRYPTOPHAN SYNTHASE
BETA CHAIN

(Francisella
tularensis) 		PF00291
(PALP) 		5 GLY B 379
THR B 385
ASP B 380
ILE B 344
LEU B 348
 None
None
ACT  B 401 (-3.0A)
None
None
 1.17A 5bw4A-5kzmB:
2.9		 5bw4A-5kzmB:
19.79
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 GLY A 236
ASP A 281
PRO A 282
ARG A 283
LEU A 448
 MGD  A2002 (-3.4A)
MGD  A2002 (-2.9A)
MGD  A2002 (-4.4A)
MGD  A2002 (-3.8A)
None
 1.02A 5bw4A-5nqdA:
undetectable		 5bw4A-5nqdA:
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.
5ook PHYCOCYANIN, ALPHA
SUBUNIT
PHYCOCYANIN, BETA
SUBUNIT

(Acaryochloris
marina;
Acaryochloris
marina) 		no annotation
no annotation 		5 GLY B 102
ARG B  37
ILE A 100
LYS B  28
LEU B  27
 None
 1.14A 5bw4A-5ookB:
undetectable		 5bw4A-5ookB:
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.
5t98 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 791
GLY A 793
THR A 797
ARG A 527
ILE A 816
 None
 1.06A 5bw4A-5t98A:
undetectable		 5bw4A-5t98A:
17.66
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.
5thz CURJ

(Moorea
producens) 		no annotation 5 GLY B 205
GLY B 207
THR B 211
ASP B 230
ILE B 256
 SAH  B 501 (-3.5A)
SAH  B 501 (-3.3A)
SAH  B 501 (-4.8A)
SAH  B 501 (-2.7A)
SAH  B 501 (-4.3A)
 0.88A 5bw4A-5thzB:
11.9		 5bw4A-5thzB:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thz CURJ

(Moorea
producens) 		no annotation 5 GLY B 205
GLY B 207
THR B 212
ASP B 230
ILE B 256
 SAH  B 501 (-3.5A)
SAH  B 501 (-3.3A)
None
SAH  B 501 (-2.7A)
SAH  B 501 (-4.3A)
 1.10A 5bw4A-5thzB:
11.9		 5bw4A-5thzB:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thz CURJ

(Moorea
producens) 		no annotation 5 GLY B 205
GLY B 207
THR B 212
ILE B 256
GLU B 257
 SAH  B 501 (-3.5A)
SAH  B 501 (-3.3A)
None
SAH  B 501 (-4.3A)
SAH  B 501 ( 4.5A)
 1.18A 5bw4A-5thzB:
11.9		 5bw4A-5thzB:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vni PROTEIN TRANSPORT
PROTEIN SEC23A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 GLY A 165
THR A 168
ILE A 130
LYS A 225
LEU A 230
 None
 1.09A 5bw4A-5vniA:
undetectable		 5bw4A-5vniA:
16.56
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 292
GLY A 288
THR A 510
ILE A 296
LEU A  76
 None
None
None
OLC  A 807 (-4.4A)
None
 1.16A 5bw4A-5xapA:
undetectable		 5bw4A-5xapA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A   8
GLY A  10
ASP A  31
PRO A  32
LEU A  65
 None
 0.86A 5bw4A-5y8pA:
4.9		 5bw4A-5y8pA:
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.
6au6 GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(S) SUBUNIT
ALPHA ISOFORMS SHORT

(Homo sapiens) 		no annotation 5 GLY A 353
GLY A 355
THR A 284
ASP A 354
ILE A 348
 None
 1.18A 5bw4A-6au6A:
undetectable		 5bw4A-6au6A:
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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 6 GLY A 280
GLY A 282
ASP A 315
ILE A 340
LEU A 286
LEU A 367
 SAM  A 701 (-3.7A)
SAM  A 701 (-3.3A)
SAM  A 701 (-2.8A)
SAM  A 701 (-4.3A)
None
SAM  A 701 (-4.3A)
 1.32A 5bw4A-6b3bA:
8.4		 5bw4A-6b3bA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 5 GLY A  54
GLY A  57
PRO A 279
LEU A  51
LEU A  96
 LOP  A 402 ( 4.2A)
None
None
None
None
 0.96A 5bw4A-6bqcA:
11.3		 5bw4A-6bqcA:
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 5 GLY A 837
GLY A 839
THR A 844
ASP A 864
ILE A 890
 SAH  A1102 (-3.5A)
SAH  A1102 (-3.4A)
None
SAH  A1102 (-2.4A)
SAH  A1102 (-4.4A)
 1.14A 5bw4A-6d6yA:
12.4		 5bw4A-6d6yA:
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.
6gi2 FERRIC ENTEROBACTIN
ESTERASE

(Pseudomonas
aeruginosa) 		no annotation 6 GLY A 160
GLY A 155
THR A 261
ILE A 191
GLU A 194
LEU A 161
 None
 1.48A 5bw4A-6gi2A:
undetectable		 5bw4A-6gi2A:
undetectable