SIMILAR PATTERNS OF AMINO ACIDS FOR 3CKK_A_SAMA301

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.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		5 GLY A   4
GLY A  96
ILE A 145
ASN A  83
LEU A  98
 None
 1.17A 3ckkA-1i8dA:
undetectable		 3ckkA-1i8dA:
22.59
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 ARG A 791
ASN A 775
ALA A 188
ASP A 497
THR A 285
 TRA  A 866 (-3.6A)
None
None
TRA  A 866 (-3.5A)
None
 1.14A 3ckkA-1l5jA:
undetectable		 3ckkA-1l5jA:
15.45
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.
1leh LEUCINE
DEHYDROGENASE

(Lysinibacillus
sphaericus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A  41
GLY A  78
ILE A 111
ALA A 113
LEU A  61
 None
 1.15A 3ckkA-1lehA:
4.6		 3ckkA-1lehA:
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 207
GLY A  99
ILE A 138
LEU A  96
GLU A  89
 None
CL  A1001 (-3.6A)
None
None
None
 1.04A 3ckkA-1lk5A:
undetectable		 3ckkA-1lk5A:
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.
1tly NUCLEOSIDE-SPECIFIC
CHANNEL-FORMING
PROTEIN TSX

(Escherichia
coli) 		PF03502
(Channel_Tsx) 		5 ILE A 206
ASN A 204
ALA A 202
LEU A 195
ASP A 238
 None
 1.14A 3ckkA-1tlyA:
undetectable		 3ckkA-1tlyA:
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.
1y56 HYPOTHETICAL PROTEIN
PH1363

(Pyrococcus
horikoshii) 		PF07992
(Pyr_redox_2)
PF13510
(Fer2_4) 		5 GLY A 113
GLY A 114
GLU A 135
ARG A 137
ALA A 181
 ATP  A 801 (-3.2A)
ATP  A 801 ( 4.9A)
ATP  A 801 (-2.4A)
ATP  A 801 (-4.1A)
ATP  A 801 (-3.7A)
 1.07A 3ckkA-1y56A:
3.6		 3ckkA-1y56A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ynw VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00105
(zf-C4) 		5 GLY A  28
GLY A  25
ILE A  68
ARG A  83
ASN A  72
 None
 1.16A 3ckkA-1ynwA:
undetectable		 3ckkA-1ynwA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yzh TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Streptococcus
pneumoniae) 		PF02390
(Methyltransf_4) 		5 GLY A  46
GLY A  48
ILE A  70
ASP A 118
THR A 191
 None
 0.72A 3ckkA-1yzhA:
18.5		 3ckkA-1yzhA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY A 462
ILE A 460
ALA A 468
LEU A 425
THR A  81
 SF4  A 556 (-3.1A)
None
None
SRM  A 569 (-4.2A)
None
 1.15A 3ckkA-1zj9A:
undetectable		 3ckkA-1zj9A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bjq MFP2A

(Ascaris suum) 		PF12150
(MFP2b) 		5 GLY A 134
GLY A  46
ILE A 123
MET A 162
GLU A  65
 None
 1.16A 3ckkA-2bjqA:
undetectable		 3ckkA-2bjqA:
20.81
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.
2cjk NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
4

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		5 GLY A 164
GLY A 201
LEU A 223
ASP A 277
THR A 170
 U  B   5 ( 2.4A)
A  B   4 ( 3.0A)
None
A  B   4 ( 2.5A)
None
 1.05A 3ckkA-2cjkA:
undetectable		 3ckkA-2cjkA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dht 409AA LONG
HYPOTHETICAL
NADP-DEPENDENT
ISOCITRATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		5 GLY A  97
GLY A  32
ILE A  39
ALA A 328
GLU A  65
 None
 1.17A 3ckkA-2dhtA:
undetectable		 3ckkA-2dhtA:
21.16
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.
2e66 DIVALENT-CATION
TOLERANCE PROTEIN
CUTA

(Pyrococcus
horikoshii) 		PF03091
(CutA1) 		5 ILE A  54
ASN A  31
ALA A  30
LEU A  61
GLU A  59
 None
 1.09A 3ckkA-2e66A:
undetectable		 3ckkA-2e66A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f8m RIBOSE 5-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF06026
(Rib_5-P_isom_A) 		6 GLY A 210
GLY A  98
ILE A 138
LEU A  95
THR A  86
GLU A  88
 None
 1.09A 3ckkA-2f8mA:
undetectable		 3ckkA-2f8mA:
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.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Bacillus
subtilis) 		PF02390
(Methyltransf_4) 		5 GLY A  46
GLY A  48
GLU A  69
ASP A 118
THR A 191
 K  A 250 (-3.9A)
None
None
None
None
 0.66A 3ckkA-2fcaA:
18.7		 3ckkA-2fcaA:
24.37
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.
2gwr DNA-BINDING RESPONSE
REGULATOR MTRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 GLY A  98
ILE A  65
ASN A  63
MET A  62
THR A 155
 None
 1.17A 3ckkA-2gwrA:
3.1		 3ckkA-2gwrA:
22.48
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.
2hms YUAA PROTEIN

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 GLY A  13
GLY A  15
ILE A  37
ASN A  56
ALA A  57
 NAI  A 601 (-3.3A)
NAI  A 601 (-3.2A)
NAI  A 601 (-3.8A)
NAI  A 601 (-3.6A)
NAI  A 601 (-3.8A)
 1.15A 3ckkA-2hmsA:
6.9		 3ckkA-2hmsA:
21.49
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.
2isn NYSGXRC-8828Z,
PHOSPHATASE

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 GLY A  51
GLU A  28
ARG A  24
ALA A  30
ASP A 277
 None
None
None
None
PR  A 522 (-2.5A)
 1.15A 3ckkA-2isnA:
undetectable		 3ckkA-2isnA:
18.75
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 155
GLY A 153
GLU A 237
ASN A 117
ALA A 116
 None
6NA  A1462 (-3.6A)
6NA  A1462 (-3.9A)
None
None
 1.16A 3ckkA-2ix4A:
undetectable		 3ckkA-2ix4A:
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.
2mpo MIC2-ASSOCIATED
PROTEIN

(Toxoplasma
gondii) 		no annotation 5 GLY A  75
ILE A  66
ASN A  34
LEU A  97
GLU A  94
 None
 1.15A 3ckkA-2mpoA:
undetectable		 3ckkA-2mpoA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oxf URIDINE
PHOSPHORYLASE

(Salmonella
enterica) 		PF01048
(PNP_UDP_1) 		5 GLY A1093
ILE A1023
LEU A1108
THR A1095
GLU A1196
 None
 1.07A 3ckkA-2oxfA:
undetectable		 3ckkA-2oxfA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		5 GLY A  88
GLY A  90
GLU A 116
ASN A 148
LEU A  94
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.0A)
SAH  A 301 ( 4.9A)
 0.96A 3ckkA-2pbfA:
7.6		 3ckkA-2pbfA:
23.05
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.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 186
GLY A 424
ALA A 420
ASP A 124
GLU A 435
 None
None
None
MN  A 460 ( 4.8A)
None
 0.96A 3ckkA-2pokA:
undetectable		 3ckkA-2pokA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 126
GLU A 147
ILE A 148
ALA A 179
 S4M  A 501 (-3.4A)
S4M  A 501 ( 4.4A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.9A)
S4M  A 501 (-3.5A)
 0.44A 3ckkA-2pt6A:
4.4		 3ckkA-2pt6A:
19.24
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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 174
GLY A 176
GLU A 197
ASN A 243
ALA A 244
 NAD  A3001 ( 3.8A)
NAD  A3001 (-3.1A)
NAD  A3001 (-2.7A)
NAD  A3001 (-3.2A)
NAD  A3001 (-3.5A)
 1.03A 3ckkA-2v7gA:
5.1		 3ckkA-2v7gA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vda TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 GLY A 573
GLY A 576
ILE A 556
ASP A 422
THR A 414
 None
 1.19A 3ckkA-2vdaA:
undetectable		 3ckkA-2vdaA:
14.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		7 GLY E 103
GLU E 126
ILE E 127
ARG E 128
ASN E 161
ALA E 162
MET E 163
 SAM  E1287 (-3.1A)
SAM  E1287 (-2.6A)
SAM  E1287 (-3.8A)
SAM  E1287 (-4.9A)
SAM  E1287 (-3.4A)
SAM  E1287 (-3.9A)
SAM  E1287 ( 4.4A)
 1.04A 3ckkA-2vdvE:
29.6		 3ckkA-2vdvE:
53.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		7 GLY E 103
GLU E 126
ILE E 127
ARG E 128
ASN E 161
MET E 163
ASP E 184
 SAM  E1287 (-3.1A)
SAM  E1287 (-2.6A)
SAM  E1287 (-3.8A)
SAM  E1287 (-4.9A)
SAM  E1287 (-3.4A)
SAM  E1287 ( 4.4A)
SAM  E1287 (-4.0A)
 1.22A 3ckkA-2vdvE:
29.6		 3ckkA-2vdvE:
53.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		6 GLY E 103
GLY E 105
ALA E 162
MET E 163
THR E 259
GLU E 261
 SAM  E1287 (-3.1A)
SAM  E1287 (-3.6A)
SAM  E1287 (-3.9A)
SAM  E1287 ( 4.4A)
SAM  E1287 (-2.8A)
SAM  E1287 (-2.9A)
 0.87A 3ckkA-2vdvE:
29.6		 3ckkA-2vdvE:
53.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		8 GLY E 103
GLY E 105
GLU E 126
ILE E 127
ASN E 161
ALA E 162
LEU E 109
THR E 259
 SAM  E1287 (-3.1A)
SAM  E1287 (-3.6A)
SAM  E1287 (-2.6A)
SAM  E1287 (-3.8A)
SAM  E1287 (-3.4A)
SAM  E1287 (-3.9A)
None
SAM  E1287 (-2.8A)
 1.35A 3ckkA-2vdvE:
29.6		 3ckkA-2vdvE:
53.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		8 GLY E 103
GLY E 105
GLU E 126
ILE E 127
ASN E 161
ALA E 162
MET E 163
THR E 259
 SAM  E1287 (-3.1A)
SAM  E1287 (-3.6A)
SAM  E1287 (-2.6A)
SAM  E1287 (-3.8A)
SAM  E1287 (-3.4A)
SAM  E1287 (-3.9A)
SAM  E1287 ( 4.4A)
SAM  E1287 (-2.8A)
 0.60A 3ckkA-2vdvE:
29.6		 3ckkA-2vdvE:
53.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		8 GLY E 103
GLY E 105
GLU E 126
ILE E 127
ASN E 161
MET E 163
ASP E 184
THR E 259
 SAM  E1287 (-3.1A)
SAM  E1287 (-3.6A)
SAM  E1287 (-2.6A)
SAM  E1287 (-3.8A)
SAM  E1287 (-3.4A)
SAM  E1287 ( 4.4A)
SAM  E1287 (-4.0A)
SAM  E1287 (-2.8A)
 0.83A 3ckkA-2vdvE:
29.6		 3ckkA-2vdvE:
53.73
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.
2wf7 BETA-PHOSPHOGLUCOMUT
ASE

(Lactococcus
lactis) 		PF13419
(HAD_2) 		5 GLY A  46
ALA A 115
LEU A  44
ASP A 170
GLU A  42
 ALF  A1219 ( 3.1A)
G7P  A1221 ( 3.6A)
None
MG  A1220 (-2.5A)
None
 1.02A 3ckkA-2wf7A:
2.8		 3ckkA-2wf7A:
24.59
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 GLY A 229
GLY A 627
ASN A 393
LEU A 227
ASP A 730
 None
 1.08A 3ckkA-2yn9A:
2.7		 3ckkA-2yn9A:
12.98
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.
3b8k DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE

(Homo sapiens) 		PF00198
(2-oxoacid_dh) 		5 GLY A 323
GLY A 325
ILE A 342
ARG A 343
ASN A 341
 None
 1.13A 3ckkA-3b8kA:
undetectable		 3ckkA-3b8kA:
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.
3bkx SAM-DEPENDENT
METHYLTRANSFERASE

(Lactobacillus
paracasei) 		PF13649
(Methyltransf_25) 		5 GLY A  50
GLY A  52
ILE A  75
ASN A 109
LEU A  56
 None
 0.90A 3ckkA-3bkxA:
8.0		 3ckkA-3bkxA:
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 GLY A  69
GLY A  71
ILE A  92
ALA A 120
LEU A 136
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
SAH  A 274 (-4.0A)
SAH  A 274 (-3.5A)
SAH  A 274 (-4.3A)
 0.91A 3ckkA-3busA:
11.1		 3ckkA-3busA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c4a PROBABLE TRYPTOPHAN
HYDROXYLASE VIOD

(Chromobacterium
violaceum) 		no annotation 5 GLY A   9
GLU A  32
ASN A 139
ALA A 138
LEU A 100
 FAD  A 401 (-3.4A)
FAD  A 401 (-2.5A)
FAD  A 401 (-4.4A)
None
None
 1.17A 3ckkA-3c4aA:
2.4		 3ckkA-3c4aA:
21.18
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.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		5 GLY A  42
GLU A  66
ILE A  67
ALA A  87
LEU A 106
 None
None
SO4  A 201 ( 4.9A)
None
None
 1.19A 3ckkA-3c85A:
8.3		 3ckkA-3c85A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		6 GLY A  42
GLY A  44
GLU A  66
ILE A  67
ARG A  68
ALA A  87
 None
None
None
SO4  A 201 ( 4.9A)
None
None
 1.23A 3ckkA-3c85A:
8.3		 3ckkA-3c85A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 GLY A 178
ALA A 227
MET A 224
LEU A 193
GLU A 195
 None
 1.16A 3ckkA-3cdiA:
undetectable		 3ckkA-3cdiA:
15.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckk TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Homo sapiens) 		PF02390
(Methyltransf_4) 		9 GLY A  54
GLY A  56
GLU A  77
ILE A  78
ARG A  79
ASN A 110
ALA A 111
LEU A  60
THR A 208
 GOL  A 302 ( 3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.8A)
SAM  A 301 (-3.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.7A)
None
SAM  A 301 (-2.8A)
 1.34A 3ckkA-3ckkA:
39.0		 3ckkA-3ckkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckk TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Homo sapiens) 		PF02390
(Methyltransf_4) 		12 GLY A  54
GLY A  56
GLU A  77
ILE A  78
ARG A  79
ASN A 110
ALA A 111
MET A 112
LEU A 130
ASP A 133
THR A 208
GLU A 210
 GOL  A 302 ( 3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.8A)
SAM  A 301 (-3.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.7A)
GOL  A 302 ( 3.3A)
SAM  A 301 (-4.8A)
GOL  A 302 ( 3.6A)
SAM  A 301 (-2.8A)
SAM  A 301 (-4.1A)
 0.00A 3ckkA-3ckkA:
39.0		 3ckkA-3ckkA:
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.
3e05 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		no annotation 5 GLY A 256
GLY A 258
GLU A 279
ALA A 307
THR A 232
 None
CL  A   1 ( 4.7A)
None
None
None
 0.69A 3ckkA-3e05A:
12.8		 3ckkA-3e05A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fwz INNER MEMBRANE
PROTEIN YBAL

(Escherichia
coli) 		PF02254
(TrkA_N) 		5 GLY A 424
GLU A 447
ASN A 467
ALA A 468
LEU A 432
 AMP  A 601 (-3.5A)
AMP  A 601 (-2.8A)
AMP  A 601 (-3.0A)
AMP  A 601 (-3.9A)
None
 1.08A 3ckkA-3fwzA:
6.8		 3ckkA-3fwzA:
23.66
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.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 GLY A 155
ALA A 204
MET A 201
LEU A 170
GLU A 172
 None
 1.02A 3ckkA-3gmeA:
undetectable		 3ckkA-3gmeA:
17.37
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.
3gvh MALATE DEHYDROGENASE

(Brucella
abortus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  15
GLY A  10
ILE A 119
ALA A 236
THR A  39
 None
NAD  A 400 ( 4.1A)
NAD  A 400 (-4.7A)
None
None
 1.09A 3ckkA-3gvhA:
5.3		 3ckkA-3gvhA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 229
GLY A 118
ILE A 156
LEU A 115
GLU A 108
 None
5RP  A 501 (-3.4A)
None
None
None
 1.03A 3ckkA-3hheA:
undetectable		 3ckkA-3hheA:
23.86
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.
3ivr PUTATIVE
LONG-CHAIN-FATTY-ACI
D COA LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding) 		5 GLY A  30
ILE A 232
ASN A  66
ALA A 234
ASP A 244
 None
 1.03A 3ckkA-3ivrA:
undetectable		 3ckkA-3ivrA:
19.57
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  91
GLY A  93
GLU A 103
LEU A 112
ASP A 132
 ZN  A 501 ( 4.7A)
ZN  A 501 ( 4.8A)
None
None
None
 1.00A 3ckkA-3jv7A:
5.9		 3ckkA-3jv7A:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
GLU A 125
ILE A 126
LEU A 107
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-2.8A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.3A)
 0.91A 3ckkA-3lgaA:
12.8		 3ckkA-3lgaA:
23.59
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.
3m8u HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		5 GLY A 205
GLY A 207
ILE A 181
ARG A  59
LEU A 210
 None
 1.05A 3ckkA-3m8uA:
undetectable		 3ckkA-3m8uA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 GLY A  32
GLY A  34
ALA A  87
LEU A 102
THR A 191
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-3.5A)
SAH  A 216 (-4.6A)
SAH  A 216 (-2.7A)
 0.81A 3ckkA-3mq2A:
13.7		 3ckkA-3mq2A:
24.81
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		5 GLY A 145
GLY A 104
ILE A 345
ALA A 141
LEU A 181
 CL  A 467 ( 4.8A)
None
None
None
None
 1.09A 3ckkA-3nd0A:
undetectable		 3ckkA-3nd0A:
19.35
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.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 5 GLY A  42
GLY A  44
GLU A  63
ALA A  92
THR A  18
 SAH  A 300 (-3.1A)
SAH  A 300 (-3.4A)
SAH  A 300 (-2.6A)
SAH  A 300 (-4.2A)
SAH  A 300 (-3.8A)
 0.79A 3ckkA-3njrA:
11.2		 3ckkA-3njrA:
23.05
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLY A 392
ASN A 317
ALA A 318
LEU A 340
ASP A 373
 None
 1.18A 3ckkA-3nqxA:
undetectable		 3ckkA-3nqxA:
18.91
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.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		5 GLY A  25
GLU A  46
ASN A 168
ALA A 167
LEU A 120
 FAD  A 401 (-3.4A)
FAD  A 401 (-2.7A)
FAD  A 401 (-4.7A)
None
None
 1.09A 3ckkA-3p9uA:
undetectable		 3ckkA-3p9uA:
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.
3r4v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
phage 201phi2-1) 		PF00091
(Tubulin) 		5 GLU A 167
ILE A 164
ASN A 165
LEU A 211
GLU A 210
 None
GDP  A 400 (-3.7A)
GDP  A 400 (-2.9A)
None
None
 1.17A 3ckkA-3r4vA:
3.8		 3ckkA-3r4vA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rp7 FLAVOPROTEIN
MONOOXYGENASE

(Klebsiella
pneumoniae) 		PF01494
(FAD_binding_3) 		5 GLY A 284
GLY A 155
ILE A  10
ALA A 300
LEU A 282
 FAD  A 385 (-3.4A)
FAD  A 385 (-3.7A)
FAD  A 385 (-4.1A)
None
None
 1.13A 3ckkA-3rp7A:
undetectable		 3ckkA-3rp7A:
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 GLY A 894
ALA A 808
LEU A 854
ASP A 847
THR A 911
 None
 1.06A 3ckkA-3sfzA:
undetectable		 3ckkA-3sfzA:
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.
3sm3 SAM-DEPENDENT
METHYLTRANSFERASES

(Methanosarcina
mazei) 		PF08241
(Methyltransf_11) 		5 GLY A  38
GLY A  40
ILE A  60
ASN A  91
ALA A  92
 None
 0.67A 3ckkA-3sm3A:
13.3		 3ckkA-3sm3A:
24.45
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.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 GLY A 162
GLY A 163
GLU A 368
ALA A  16
LEU A 174
 FDA  A 547 (-3.4A)
None
FDA  A 547 (-4.1A)
FDA  A 547 (-3.5A)
FDA  A 547 (-3.8A)
 1.14A 3ckkA-3v76A:
2.5		 3ckkA-3v76A:
20.24
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.
3v9a ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  76
ILE A 199
ASN A 200
ALA A 203
LEU A 149
 None
 1.07A 3ckkA-3v9aA:
undetectable		 3ckkA-3v9aA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vpx LEUCINE
DEHYDROGENASE

(Sporosarcina
psychrophila) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A  41
GLY A  78
ILE A 111
ALA A 113
LEU A  61
 None
 1.19A 3ckkA-3vpxA:
3.8		 3ckkA-3vpxA:
21.76
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.
3wlx LOW SPECIFICITY
L-THREONINE ALDOLASE

(Escherichia
coli) 		no annotation 5 GLY B 200
GLY B 198
ARG B 248
ALA B 237
ASP B 314
 None
 1.17A 3ckkA-3wlxB:
undetectable		 3ckkA-3wlxB:
22.67
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.
3zdb PROTEIN XNI

(Escherichia
coli) 		PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N) 		5 GLY A 181
GLY A 170
ILE A 185
ALA A 183
LEU A 227
 K  A1251 ( 4.4A)
None
None
None
None
 1.09A 3ckkA-3zdbA:
undetectable		 3ckkA-3zdbA:
21.38
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 125
GLU A 128
ILE A  96
ALA A 131
THR A 184
 None
 1.17A 3ckkA-3zu0A:
undetectable		 3ckkA-3zu0A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 293
GLY A 295
ILE A 291
ASN A 167
ALA A 165
 None
 1.12A 3ckkA-4c2kA:
undetectable		 3ckkA-4c2kA:
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.
4ej6 PUTATIVE
ZINC-BINDING
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 109
GLY A 115
ASN A  85
ALA A 107
ASP A  40
 None
 1.09A 3ckkA-4ej6A:
5.8		 3ckkA-4ej6A:
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.
4igi COLLAGEN ALPHA3(VI)

(Mus musculus) 		PF00092
(VWA) 		5 GLY A1163
GLY A1165
ILE A1169
LEU A1191
GLU A1190
 None
 1.08A 3ckkA-4igiA:
2.8		 3ckkA-4igiA:
21.43
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.
4io1 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Francisella
tularensis) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 202
GLY A 101
ILE A 139
LEU A  98
GLU A  91
 None
CL  A 301 (-3.4A)
None
None
None
 1.09A 3ckkA-4io1A:
undetectable		 3ckkA-4io1A:
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.
4j91 KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 GLY A  13
GLY A  15
ILE A  37
ASN A  56
ALA A  57
 ADP  A 601 (-3.4A)
ADP  A 601 (-3.0A)
ADP  A 601 (-3.9A)
ADP  A 601 (-3.8A)
ADP  A 601 (-3.7A)
 1.17A 3ckkA-4j91A:
7.2		 3ckkA-4j91A:
19.48
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		5 GLY A  50
GLY A  52
GLU A  72
ALA A  98
LEU A  56
 None
 1.13A 3ckkA-4jxjA:
8.5		 3ckkA-4jxjA:
20.92
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.
4k9q BENZOYLFORMATE
DECARBOXYLASE

(Polynucleobacter
necessarius) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A  97
ALA A  78
MET A  79
LEU A 156
GLU A 128
 None
 0.89A 3ckkA-4k9qA:
2.7		 3ckkA-4k9qA:
18.53
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.
4m9c BACTERIAL
TRANSFERASE
HEXAPEPTIDE (THREE
REPEATS) FAMILY
PROTEIN

(Acinetobacter
baumannii) 		PF00132
(Hexapep) 		5 GLY A  12
GLY A  14
ILE A  70
ASN A  72
ASP A  37
 None
 1.12A 3ckkA-4m9cA:
undetectable		 3ckkA-4m9cA:
22.40
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.
4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 GLY A 304
GLY A 307
ARG A 174
ALA A 300
ASP A 106
 None
 1.17A 3ckkA-4mniA:
undetectable		 3ckkA-4mniA:
21.07
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.
4qku HYDROLASE

(Burkholderia
cenocepacia) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		5 GLY A 421
GLY A 409
ARG A 417
LEU A 407
GLU A 315
 None
 1.15A 3ckkA-4qkuA:
undetectable		 3ckkA-4qkuA:
19.73
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.
4qvs S-LAYER
DOMAIN-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		PF13385
(Laminin_G_3) 		5 GLY A 345
GLU A 372
ILE A 369
ASP A 324
GLU A 322
 None
 1.05A 3ckkA-4qvsA:
undetectable		 3ckkA-4qvsA:
24.70
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.
4rya ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL)

(Agrobacterium
vitis) 		PF01547
(SBP_bac_1) 		5 GLY A  85
GLU A  88
ARG A  65
ALA A 391
GLU A 137
 None
None
MTL  A 501 (-3.1A)
None
MTL  A 501 (-3.0A)
 1.15A 3ckkA-4ryaA:
undetectable		 3ckkA-4ryaA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u49 PECTATE LYASE

(Pectobacterium
carotovorum) 		PF03211
(Pectate_lyase) 		5 GLY A 317
GLY A 258
ARG A 267
ASN A 336
GLU A 319
 None
 0.96A 3ckkA-4u49A:
undetectable		 3ckkA-4u49A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 126
GLU A 147
ILE A 148
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.8A)
MTA  A 401 (-3.6A)
 0.47A 3ckkA-4uoeA:
8.5		 3ckkA-4uoeA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zqi D-ALANINE--D-ALANINE
LIGASE

(Yersinia pestis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 GLY A  85
ILE A 301
ALA A 305
THR A  94
GLU A  68
 None
None
None
NA  A 401 (-3.4A)
None
 1.08A 3ckkA-4zqiA:
undetectable		 3ckkA-4zqiA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp9 PUTATIVE
METHYLTRANSFERASE
PROTEIN

(Bacteroides
fragilis) 		PF13489
(Methyltransf_23) 		5 GLY A  88
GLY A  90
ILE A 110
ASN A 130
LEU A 146
 SAH  A 303 (-3.3A)
SAH  A 303 ( 3.7A)
SAH  A 303 ( 4.0A)
SAH  A 303 (-3.0A)
None
 0.72A 3ckkA-5bp9A:
9.3		 3ckkA-5bp9A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 GLY A  13
ILE A  37
ASN A  56
ALA A  57
GLU A 267
 None
 0.98A 3ckkA-5butA:
5.7		 3ckkA-5butA:
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 GLY A 155
ILE A 179
ASN A 198
ALA A 199
GLU A 125
 None
 0.98A 3ckkA-5butA:
5.7		 3ckkA-5butA:
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.
5fad RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE

(Sulfolobus
islandicus) 		PF13847
(Methyltransf_31) 		5 GLY A  36
GLY A  38
GLU A  59
ILE A  60
ASN A  87
 SAH  A 201 (-3.0A)
SAH  A 201 (-3.5A)
SAH  A 201 (-2.9A)
SAH  A 201 (-3.8A)
SAH  A 201 (-3.7A)
 0.38A 3ckkA-5fadA:
10.7		 3ckkA-5fadA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 6 GLY C 365
GLU C 413
ILE C 414
ASN C 460
ALA C 461
THR C 316
 SFG  C1002 (-3.4A)
SFG  C1002 (-2.8A)
SFG  C1002 (-3.9A)
SFG  C1002 (-3.2A)
SFG  C1002 (-3.8A)
SFG  C1002 (-4.0A)
 0.92A 3ckkA-5hr4C:
7.2		 3ckkA-5hr4C:
13.49
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.
5iv9 LPS-ASSEMBLY PROTEIN
LPTD

(Klebsiella
pneumoniae) 		PF03968
(OstA)
PF04453
(OstA_C) 		5 GLY A 553
ILE A 599
ALA A 609
ASP A 509
THR A 532
 None
 1.18A 3ckkA-5iv9A:
undetectable		 3ckkA-5iv9A:
14.87
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		5 GLY A 587
GLY A 586
LEU A  85
THR A 583
GLU A 582
 NAP  A 801 (-3.0A)
NAP  A 801 (-3.8A)
None
None
None
 1.19A 3ckkA-5kvuA:
undetectable		 3ckkA-5kvuA:
15.32
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.
5lp7 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
subtilis) 		no annotation 5 GLY H 114
GLY H 352
ALA H 256
MET H  34
LEU H  84
 None
 0.97A 3ckkA-5lp7H:
undetectable		 3ckkA-5lp7H:
22.44
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.
5lp7 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
subtilis) 		no annotation 5 GLY H 385
GLY H 283
ALA H 387
LEU H 289
GLU H 288
 None
 1.03A 3ckkA-5lp7H:
undetectable		 3ckkA-5lp7H:
22.44
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.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 5 GLY A 253
ILE A 258
ALA A 169
MET A 168
GLU A 335
 None
 1.09A 3ckkA-5nxnA:
undetectable		 3ckkA-5nxnA:
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.
5uto EDD DOMAIN PROTEIN,
DEGV FAMILY

(Staphylococcus
aureus) 		no annotation 5 GLY A 235
GLU A 262
ILE A  46
ALA A 268
GLU A 239
 None
 0.93A 3ckkA-5utoA:
2.1		 3ckkA-5utoA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 5 GLY A  56
ILE A  83
ALA A 110
LEU A 127
THR A  27
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.5A)
SAH  A 301 (-2.9A)
 1.09A 3ckkA-5w7mA:
12.3		 3ckkA-5w7mA:
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.
5xgc RAP1 GTPASE-GDP
DISSOCIATION
STIMULATOR 1

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 110
ASN A 159
ALA A 156
LEU A 106
GLU A 104
 None
 0.95A 3ckkA-5xgcA:
undetectable		 3ckkA-5xgcA:
18.42
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.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 5 ASN A 284
ALA A 279
ASP A 605
THR A 132
GLU A 260
 None
 1.16A 3ckkA-5yemA:
4.1		 3ckkA-5yemA:
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.
6b4o GLUTATHIONE
REDUCTASE

(Enterococcus
faecalis) 		no annotation 5 GLY A  11
GLY A  39
ASN A  20
ALA A  19
GLU A  36
 FAD  A 501 ( 4.9A)
FAD  A 501 (-3.3A)
CL  A 504 (-4.2A)
None
MG  A 502 ( 4.1A)
 1.13A 3ckkA-6b4oA:
undetectable		 3ckkA-6b4oA:
18.76
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 GLY A 110
GLY A  50
ILE A  26
ALA A  29
LEU A  92
 None
 1.11A 3ckkA-6et9A:
undetectable		 3ckkA-6et9A:
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.
6f45 -

(-) 		no annotation 5 GLY D 119
GLY D 157
ASN D 188
ALA D 176
LEU D 124
 None
 1.07A 3ckkA-6f45D:
undetectable		 3ckkA-6f45D:
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.
6f5d ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 5 GLY D 191
GLY D 193
ILE D 260
ALA D 241
GLU D 198
 None
None
None
None
MG  D 601 ( 4.0A)
 1.16A 3ckkA-6f5dD:
undetectable		 3ckkA-6f5dD:
undetectable