SIMILAR PATTERNS OF AMINO ACIDS FOR 1TLS_B_C2FB266

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.
1att ANTITHROMBIN III

(Bos taurus) 		PF00079
(Serpin) 		5 ILE A 391
LEU A 171
GLY A  94
VAL A 356
ALA A 357
 None
 1.10A 1tlsB-1attA:
0.0		 1tlsB-1attA:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		7 ILE A  86
TRP A  87
LEU A 170
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.97A 1tlsB-1ci7A:
37.6		 1tlsB-1ci7A:
45.00
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 SER A1307
ILE A1316
GLY A1518
VAL A1431
ALA A1432
 None
 1.14A 1tlsB-1e6yA:
0.0		 1tlsB-1e6yA:
17.29
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.
1f5v OXYGEN-INSENSITIVE
NADPH NITROREDUCTASE

(Escherichia
coli) 		PF00881
(Nitroreductase) 		5 HIS A  69
ILE A  14
LEU A 157
PHE A  17
ALA A 118
 None
 0.99A 1tlsB-1f5vA:
0.0		 1tlsB-1f5vA:
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.
1gnz GSI-B4 ISOLECTIN

(Griffonia
simplicifolia) 		PF00139
(Lectin_legB) 		5 SER A 151
ILE A 152
LEU A 108
GLY A 109
PHE A 111
 None
 1.13A 1tlsB-1gnzA:
0.0		 1tlsB-1gnzA:
19.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		8 ILE A 108
TRP A 109
LEU A 192
LEU A 221
GLY A 222
PHE A 225
TYR A 258
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.78A 1tlsB-1hvyA:
39.5		 1tlsB-1hvyA:
51.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i7o 4-HYDROXYPHENYLACETA
TE DEGRADATION
BIFUNCTIONAL
ISOMERASE/DECARBOXYL
ASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		5 SER A  96
LEU A  16
GLY A 175
VAL A  36
ALA A  35
 None
 1.15A 1tlsB-1i7oA:
0.0		 1tlsB-1i7oA:
18.84
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.
1i8q HYALURONATE LYASE

(Streptococcus
agalactiae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		6 ILE A 936
LEU A 646
LEU A 775
GLY A 776
TYR A 893
VAL A 773
 None
 1.37A 1tlsB-1i8qA:
0.0		 1tlsB-1i8qA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qvz YDR533C PROTEIN

(Saccharomyces
cerevisiae) 		PF01965
(DJ-1_PfpI) 		5 LEU A   8
GLY A 107
PHE A  27
VAL A 137
ALA A 136
 None
CSO  A 138 ( 3.5A)
None
CSO  A 138 ( 2.6A)
None
 1.05A 1tlsB-1qvzA:
0.0		 1tlsB-1qvzA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sh2 RNA POLYMERASE

(Norwalk virus) 		PF00680
(RdRP_1) 		5 LEU A 367
LEU A 298
GLY A 297
PHE A  70
ALA A 312
 None
 1.14A 1tlsB-1sh2A:
undetectable		 1tlsB-1sh2A:
19.62
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.
1wv2 THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Pseudomonas
aeruginosa) 		PF05690
(ThiG) 		5 ILE A1204
LEU A1183
GLY A1239
VAL A1213
ALA A1212
 None
 1.06A 1tlsB-1wv2A:
undetectable		 1tlsB-1wv2A:
20.42
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.
1xmb IAA-AMINO ACID
HYDROLASE HOMOLOG 2

(Arabidopsis
thaliana) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 380
SER A 382
ILE A 196
LEU A 109
ALA A 150
 None
 1.06A 1tlsB-1xmbA:
undetectable		 1tlsB-1xmbA:
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.
1yzp PEROXIDASE
MANGANESE-DEPENDENT
I

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 HIS A 173
SER A 172
ILE A  41
LEU A  24
GLY A  34
 HEM  A 396 (-3.3A)
HEM  A 396 (-2.8A)
HEM  A 396 ( 3.8A)
None
None
 1.15A 1tlsB-1yzpA:
undetectable		 1tlsB-1yzpA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		7 ILE A 100
TRP A 101
LEU A 184
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.32A 1tlsB-2aazA:
undetectable		 1tlsB-2aazA:
43.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2chr CHLOROMUCONATE
CYCLOISOMERASE

(Cupriavidus
necator) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 262
LEU A 268
GLY A 290
VAL A 285
ALA A 284
 None
 1.08A 1tlsB-2chrA:
undetectable		 1tlsB-2chrA:
19.89
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 LEU A 474
LEU A 463
GLY A 506
VAL A 462
ALA A 747
 None
 1.11A 1tlsB-2cn3A:
undetectable		 1tlsB-2cn3A:
15.97
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.
2fno AGR_PAT_752P

(Agrobacterium
fabrum) 		no annotation 5 ILE A 167
LEU A 157
GLY A  82
VAL A 102
ALA A  99
 None
 0.98A 1tlsB-2fnoA:
undetectable		 1tlsB-2fnoA:
20.21
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.
2h1c TRAFFICKING PROTEIN
B

(Neisseria
gonorrhoeae) 		PF01850
(PIN) 		5 SER A  10
ILE A   9
LEU A  30
LEU A  68
ALA A  72
 None
 1.13A 1tlsB-2h1cA:
undetectable		 1tlsB-2h1cA:
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 316
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.82A 1tlsB-2h2qA:
34.6		 1tlsB-2h2qA:
26.49
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.
2hms YUAA PROTEIN

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		6 ILE A  37
LEU A  66
LEU A  14
GLY A  13
VAL A  42
ALA A  52
 NAI  A 601 (-3.8A)
None
None
NAI  A 601 (-3.3A)
None
None
 1.34A 1tlsB-2hmsA:
undetectable		 1tlsB-2hmsA:
19.17
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.
2lni STRESS-INDUCED-PHOSP
HOPROTEIN 1

(Homo sapiens) 		PF00515
(TPR_1)
PF13414
(TPR_11) 		5 ILE A  77
LEU A  70
GLY A  86
VAL A 106
ALA A 103
 None
 1.15A 1tlsB-2lniA:
undetectable		 1tlsB-2lniA:
19.74
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.
2mjh FEMALE
GERMLINE-SPECIFIC
TUMOR SUPPRESSOR
GLD-1

(Caenorhabditis
elegans) 		PF00013
(KH_1) 		5 HIS A 261
SER A 251
LEU A 302
LEU A 226
GLY A 223
 None
None
None
A  B  22 ( 3.6A)
U  B  20 ( 3.1A)
 1.08A 1tlsB-2mjhA:
undetectable		 1tlsB-2mjhA:
19.29
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.
2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT

(Rhodobacter
sphaeroides) 		PF00355
(Rieske) 		5 SER A 154
ILE A 162
GLY A 160
PHE A 156
ALA A  98
 FES  A 200 (-3.1A)
None
None
None
None
 1.06A 1tlsB-2numA:
undetectable		 1tlsB-2numA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 ILE B2192
LEU B2145
LEU B2158
GLY B2156
TYR B2135
 None
ATP  B 103 ( 4.9A)
None
None
None
 1.15A 1tlsB-2nvuB:
undetectable		 1tlsB-2nvuB:
15.24
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 315
TRP A 316
LEU A 399
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.56A 1tlsB-2oipA:
39.4		 1tlsB-2oipA:
26.20
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.
2qyv XAA-HIS DIPEPTIDASE

(Histophilus
somni) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 TRP A  13
LEU A  12
LEU A 112
GLY A 113
VAL A 105
 None
 1.10A 1tlsB-2qyvA:
undetectable		 1tlsB-2qyvA:
19.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		5 ILE A  81
LEU A 195
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 ( 4.8A)
THF  A 568 (-4.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.92A 1tlsB-2tddA:
35.6		 1tlsB-2tddA:
51.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		5 LEU A 195
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 (-4.6A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.79A 1tlsB-2tddA:
35.6		 1tlsB-2tddA:
51.43
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.
2z2x TK-SUBTILISIN

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		5 ILE A 291
LEU A 373
GLY A 374
VAL A 386
ALA A 370
 None
None
CA  A1001 ( 4.2A)
None
None
 1.13A 1tlsB-2z2xA:
undetectable		 1tlsB-2z2xA:
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.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		5 ILE A 291
LEU A 373
GLY A 374
VAL A 386
ALA A 370
 None
None
CA  A1006 ( 4.5A)
None
None
 1.15A 1tlsB-2z2zA:
undetectable		 1tlsB-2z2zA:
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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		6 SER A 188
ILE A 211
LEU A 257
GLY A 305
VAL A 253
ALA A 250
 None
None
None
VD3  A 701 ( 3.9A)
VD3  A 701 ( 4.2A)
VD3  A 701 (-3.3A)
 1.47A 1tlsB-3c6gA:
undetectable		 1tlsB-3c6gA:
21.67
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.
3eat PYOVERDINE
BIOSYNTHESIS PROTEIN
PVCB

(Pseudomonas
aeruginosa) 		PF02668
(TauD) 		5 HIS X 239
SER X 142
LEU X  15
GLY X  26
PHE X  25
 None
 1.15A 1tlsB-3eatX:
undetectable		 1tlsB-3eatX:
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.
3goc ENDONUCLEASE V

(Streptomyces
avermitilis) 		PF04493
(Endonuclease_5) 		5 HIS A 195
GLY A 171
TYR A 116
VAL A 141
ALA A 142
 None
 1.09A 1tlsB-3gocA:
undetectable		 1tlsB-3gocA:
19.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 HIS A  51
LEU A 143
LEU A 172
GLY A 173
PHE A 176
 None
 0.98A 1tlsB-3ix6A:
35.4		 1tlsB-3ix6A:
48.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 HIS A  51
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.75A 1tlsB-3ix6A:
35.4		 1tlsB-3ix6A:
48.33
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 SER A 281
ILE A 306
TRP A 307
LEU A 390
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 None
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.71A 1tlsB-3kjrA:
38.7		 1tlsB-3kjrA:
26.71
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 5 ILE A 101
LEU A 116
GLY A 113
VAL A 528
ALA A 527
 None
 1.12A 1tlsB-3nlcA:
undetectable		 1tlsB-3nlcA:
19.89
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.
3nph PHYCOBILISOME 32.1
KDA LINKER
POLYPEPTIDE,
PHYCOCYANIN-ASSOCIAT
ED, ROD 2

(Synechocystis
sp. PCC 6803) 		PF00427
(PBS_linker_poly) 		5 LEU B  27
GLY B  28
TYR B  65
VAL B  59
ALA B  60
 None
 1.04A 1tlsB-3nphB:
undetectable		 1tlsB-3nphB:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		5 ILE A 258
LEU A 255
TYR A  14
VAL A 123
ALA A 124
 None
None
None
CA  A 353 (-4.8A)
None
 1.05A 1tlsB-3ti7A:
undetectable		 1tlsB-3ti7A:
20.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		6 SER A  54
LEU A 189
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.98A 1tlsB-3v8hA:
34.2		 1tlsB-3v8hA:
36.53
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.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		5 HIS A 128
LEU A  98
GLY A  99
VAL A 110
ALA A  83
 None
 1.04A 1tlsB-3vcyA:
undetectable		 1tlsB-3vcyA:
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.
3wau 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Bacteroides
fragilis) 		PF04041
(Glyco_hydro_130) 		5 ILE A 142
LEU A  86
GLY A  75
VAL A 100
ALA A 101
 None
 1.05A 1tlsB-3wauA:
undetectable		 1tlsB-3wauA:
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.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 432
GLY A 353
PHE A 434
VAL A 469
ALA A 422
 None
 1.10A 1tlsB-3zz1A:
undetectable		 1tlsB-3zz1A:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a25 FERRITIN DPS FAMILY
PROTEIN

(Kineococcus
radiotolerans) 		PF00210
(Ferritin) 		5 HIS A 132
ILE A 128
LEU A  30
VAL A  77
ALA A  78
 None
 1.15A 1tlsB-4a25A:
undetectable		 1tlsB-4a25A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 SER A 184
LEU A 244
GLY A 241
VAL A 451
ALA A 452
 None
 1.12A 1tlsB-4av6A:
undetectable		 1tlsB-4av6A:
16.53
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.
4bgb PUTATIVE SUGAR
KINASE MK0840

(Methanopyrus
kandleri) 		PF03702
(AnmK) 		5 ILE A  43
LEU A 106
GLY A 121
VAL A 135
ALA A 345
 None
 1.05A 1tlsB-4bgbA:
undetectable		 1tlsB-4bgbA:
23.08
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		5 HIS V 884
ILE V 959
LEU V 855
GLY V 856
VAL V 980
 None
 1.11A 1tlsB-4bxsV:
undetectable		 1tlsB-4bxsV:
11.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 ILE A  84
LEU A 198
GLY A 228
PHE A 231
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 1.11A 1tlsB-4dq1A:
36.1		 1tlsB-4dq1A:
50.16
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.
4f52 GLOMULIN

(Homo sapiens) 		PF08568
(Kinetochor_Ybp2) 		5 SER E 114
ILE E 118
LEU E 126
LEU E 173
GLY E 172
 None
 1.15A 1tlsB-4f52E:
undetectable		 1tlsB-4f52E:
18.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		9 HIS A  51
SER A  54
ILE A  79
TRP A  80
TRP A  83
LEU A 143
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.55A 1tlsB-4fogA:
40.7		 1tlsB-4fogA:
66.29
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.
4gh7 NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ILE A 153
LEU A 159
LEU A 137
GLY A  35
PHE A 168
 None
 1.05A 1tlsB-4gh7A:
undetectable		 1tlsB-4gh7A:
21.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		6 HIS A  54
LEU A 146
LEU A 175
GLY A 176
PHE A 179
VAL A 264
 None
None
None
UMP  A 301 (-3.6A)
None
None
 1.40A 1tlsB-4h0uA:
38.7		 1tlsB-4h0uA:
63.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		6 HIS A  54
LEU A 175
GLY A 176
PHE A 179
TYR A 212
VAL A 264
 None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
None
 1.07A 1tlsB-4h0uA:
38.7		 1tlsB-4h0uA:
63.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 HIS A  54
SER A  57
ILE A  82
GLY A 176
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.86A 1tlsB-4h0uA:
38.7		 1tlsB-4h0uA:
63.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 HIS A  54
SER A  57
ILE A  82
LEU A 146
GLY A 176
 None
None
None
None
UMP  A 301 (-3.6A)
 0.86A 1tlsB-4h0uA:
38.7		 1tlsB-4h0uA:
63.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 HIS A  54
SER A  57
ILE A  82
TRP A  83
LEU A 146
 None
 0.79A 1tlsB-4h0uA:
38.7		 1tlsB-4h0uA:
63.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 HIS A  54
SER A  57
LEU A 146
LEU A 175
GLY A 176
 None
None
None
None
UMP  A 301 (-3.6A)
 1.04A 1tlsB-4h0uA:
38.7		 1tlsB-4h0uA:
63.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 HIS A  54
SER A  57
LEU A 175
GLY A 176
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.69A 1tlsB-4h0uA:
38.7		 1tlsB-4h0uA:
63.67
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.
4hvm TLMII

(Streptoalloteichus
hindustanus) 		PF00668
(Condensation) 		5 LEU A  63
LEU A 133
GLY A 134
VAL A 154
ALA A 153
 None
 1.15A 1tlsB-4hvmA:
undetectable		 1tlsB-4hvmA:
17.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 ILE A 110
LEU A 194
LEU A 223
GLY A 224
PHE A 227
 D16  A 402 (-4.0A)
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
 1.14A 1tlsB-4iqqA:
36.3		 1tlsB-4iqqA:
44.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 ILE A 110
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 D16  A 402 (-4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 0.86A 1tlsB-4iqqA:
36.3		 1tlsB-4iqqA:
44.13
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.
4n6q VOSA

(Aspergillus
nidulans) 		PF11754
(Velvet) 		5 SER A 100
LEU A  77
GLY A  96
VAL A  44
ALA A  31
 None
 1.06A 1tlsB-4n6qA:
undetectable		 1tlsB-4n6qA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nq3 CYANURIC ACID
AMIDOHYDROLASE

(Azorhizobium
caulinodans) 		PF09663
(Amido_AtzD_TrzD) 		5 HIS A 151
ILE A 144
GLY A 110
VAL A 135
ALA A 134
 None
 1.15A 1tlsB-4nq3A:
undetectable		 1tlsB-4nq3A:
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.
4pg6 HOMOSERINE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 HIS A  59
ILE A  67
LEU A  90
LEU A   8
GLY A  10
 None
None
None
None
DMS  A 511 (-3.2A)
 1.10A 1tlsB-4pg6A:
undetectable		 1tlsB-4pg6A:
20.21
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.
4qae NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ILE A 153
LEU A 159
LEU A 137
GLY A  35
PHE A 168
 None
 1.06A 1tlsB-4qaeA:
undetectable		 1tlsB-4qaeA:
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.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 HIS A2719
SER A2803
LEU A2898
VAL A2781
ALA A2552
 None
 1.10A 1tlsB-4qyrA:
undetectable		 1tlsB-4qyrA:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r7k HYPOTHETICAL PROTEIN
JHP0584

(Helicobacter
pylori) 		no annotation 5 ILE A  27
LEU A  31
GLY A  30
VAL A 163
ALA A 164
 None
 1.04A 1tlsB-4r7kA:
undetectable		 1tlsB-4r7kA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ILE A 433
GLY A 405
PHE A 404
VAL A  23
ALA A  22
 None
 1.14A 1tlsB-4um8A:
undetectable		 1tlsB-4um8A:
16.74
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.
4wqe THIOSULFATE
DEHYDROGENASE

(Allochromatium
vinosum) 		PF13442
(Cytochrome_CBB3) 		5 HIS A 164
ILE A 205
LEU A 143
LEU A 155
GLY A 152
 HEC  A1002 (-3.2A)
HEC  A1002 (-4.0A)
None
None
None
 1.05A 1tlsB-4wqeA:
undetectable		 1tlsB-4wqeA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 5 ILE A 328
LEU A 373
LEU A 322
GLY A 323
VAL A 282
 None
NA  A1015 (-4.1A)
None
EDO  A1011 (-3.4A)
None
 0.98A 1tlsB-4xj5A:
undetectable		 1tlsB-4xj5A:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 ILE A  96
LEU A 180
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 1.08A 1tlsB-4xscA:
36.5		 1tlsB-4xscA:
40.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 ILE A  96
LEU A 180
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.72A 1tlsB-4xscA:
36.5		 1tlsB-4xscA:
40.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 ILE A  96
TRP A  97
LEU A 180
GLY A 210
PHE A 213
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
 1.05A 1tlsB-4xscA:
36.5		 1tlsB-4xscA:
40.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 ILE A  37
LEU A  66
LEU A  14
VAL A  42
ALA A  52
 None
 1.06A 1tlsB-5butA:
undetectable		 1tlsB-5butA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c98 AGAP007691-PB

(Anopheles
gambiae) 		PF00079
(Serpin) 		5 ILE A 331
LEU A 139
GLY A 165
VAL A 149
ALA A 148
 None
 1.12A 1tlsB-5c98A:
undetectable		 1tlsB-5c98A:
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.
5dqn CYTOCHROME P450
CYP125

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		5 ILE A 162
LEU A 226
LEU A 365
GLY A 362
ALA A 122
 None
None
HEM  A 501 (-4.5A)
HEM  A 501 (-3.5A)
None
 1.10A 1tlsB-5dqnA:
undetectable		 1tlsB-5dqnA:
19.67
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.
5eo9 CG32791, ISOFORM A

(Drosophila
melanogaster) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 ILE B 135
LEU B 109
GLY B 120
PHE B 137
ALA B  82
 None
None
None
NAG  B 901 ( 4.6A)
None
 0.97A 1tlsB-5eo9B:
undetectable		 1tlsB-5eo9B:
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.
5gn1 ATP-DEPENDENT
HELICASE FUN30

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 HIS A1060
ILE A1070
LEU A1073
LEU A 970
VAL A 969
 None
 1.11A 1tlsB-5gn1A:
undetectable		 1tlsB-5gn1A:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 ILE A 132
LEU A 216
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 1.09A 1tlsB-5h3aA:
36.5		 1tlsB-5h3aA:
47.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 ILE A 132
TRP A 133
LEU A 216
GLY A 246
PHE A 249
 D16  A 401 ( 4.0A)
None
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
 1.06A 1tlsB-5h3aA:
36.5		 1tlsB-5h3aA:
47.00
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.
5hxz BARBITURASE

(Rhodococcus
erythropolis) 		PF09663
(Amido_AtzD_TrzD) 		5 HIS A 157
ILE A 150
GLY A 116
VAL A 141
ALA A 140
 None
 1.14A 1tlsB-5hxzA:
undetectable		 1tlsB-5hxzA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ila PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		PF13365
(Trypsin_2) 		5 ILE A 159
TRP A 212
GLY A 156
PHE A 157
ALA A 190
 None
 1.13A 1tlsB-5ilaA:
undetectable		 1tlsB-5ilaA:
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.
5ir2 CELLULASE

(Parabacteroides
johnsonii) 		PF03737
(RraA-like) 		5 ILE A 194
LEU A 203
GLY A 197
VAL A  49
ALA A  48
 None
 1.16A 1tlsB-5ir2A:
undetectable		 1tlsB-5ir2A:
21.56
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A 190
LEU A 195
GLY A  83
TYR A  88
ALA A 142
 None
SO4  A 303 (-4.0A)
None
None
None
 1.04A 1tlsB-5jn9A:
undetectable		 1tlsB-5jn9A:
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.
5khp NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ILE A 153
LEU A 159
LEU A 137
GLY A  35
PHE A 168
 None
 1.13A 1tlsB-5khpA:
undetectable		 1tlsB-5khpA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus;
Bos taurus) 		PF00146
(NADHdh)
PF00499
(Oxidored_q3) 		5 ILE H 140
LEU H 146
GLY J  62
VAL H 113
ALA H 112
 None
 1.05A 1tlsB-5lc5H:
undetectable		 1tlsB-5lc5H:
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.
5ljo OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 HIS A 280
ILE A 284
LEU A 337
GLY A 275
VAL A 322
 None
 1.13A 1tlsB-5ljoA:
undetectable		 1tlsB-5ljoA:
14.78
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.
5lst ATP-DEPENDENT DNA
HELICASE Q4

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 HIS A 930
ILE A1051
LEU A 923
VAL A 842
ALA A 841
 None
 1.04A 1tlsB-5lstA:
undetectable		 1tlsB-5lstA:
16.89
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.
5mhj MAJOR VIRAL
TRANSCRIPTION FACTOR
ICP4

(Human
alphaherpesvirus
1) 		PF03584
(Herpes_ICP4_N) 		5 LEU A 380
GLY A 464
PHE A 465
VAL A 452
ALA A 453
 None
 1.15A 1tlsB-5mhjA:
undetectable		 1tlsB-5mhjA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6m APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 SER A 256
ILE A 265
GLY A 287
VAL A 320
ALA A 325
 None
 0.89A 1tlsB-5n6mA:
undetectable		 1tlsB-5n6mA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 402
TRP A 403
LEU A 486
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.75A 1tlsB-5t0lA:
39.1		 1tlsB-5t0lA:
24.91
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 LEU A 532
LEU A 642
GLY A 641
PHE A 639
ALA A 685
 None
 0.99A 1tlsB-5wvgA:
undetectable		 1tlsB-5wvgA:
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.
5x87 BESTROPHIN

(Klebsiella
pneumoniae) 		no annotation 5 SER A 246
ILE A 245
GLY A  61
VAL A  54
ALA A  55
 None
 1.12A 1tlsB-5x87A:
undetectable		 1tlsB-5x87A:
20.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		6 HIS A  59
SER A  62
ILE A  87
GLY A 181
PHE A 184
TYR A 217
 None
None
PGE  A 301 ( 4.2A)
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 1.11A 1tlsB-6aujA:
35.8		 1tlsB-6aujA:
65.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		5 HIS A  59
SER A  62
ILE A  87
TRP A  88
PHE A 184
 None
None
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
PGE  A 301 (-3.7A)
 0.88A 1tlsB-6aujA:
35.8		 1tlsB-6aujA:
65.33
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.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 6 HIS A 117
SER A 114
LEU A 122
GLY A 207
VAL A 271
ALA A 270
 0BD  A 302 (-3.7A)
None
None
None
None
None
 1.50A 1tlsB-6b2qA:
undetectable		 1tlsB-6b2qA:
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 7 SER A  54
ILE A  79
LEU A 143
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.08A 1tlsB-6cdzA:
42.0		 1tlsB-6cdzA:
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 SER A  54
ILE A  79
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 None
CB3  A 701 (-3.9A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.23A 1tlsB-6cdzA:
42.0		 1tlsB-6cdzA:
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 SER A  54
ILE A  79
TRP A  80
LEU A 143
PHE A 176
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.8A)
 0.84A 1tlsB-6cdzA:
42.0		 1tlsB-6cdzA:
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 HIS A2355
ILE A2366
GLY A2369
PHE A2368
TYR A2266
 None
 1.11A 1tlsB-6fayA:
undetectable		 1tlsB-6fayA:
undetectable