SIMILAR PATTERNS OF AMINO ACIDS FOR 1TSN_A_C2FA266

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
 1.13A 1tsnA-1attA:
0.0		 1tsnA-1attA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cbf COBALT-PRECORRIN-4
TRANSMETHYLASE

(Bacillus
megaterium) 		PF00590
(TP_methylase) 		5 ILE A 243
LEU A 155
LEU A 249
GLY A 246
ALA A 137
 None
 1.15A 1tsnA-1cbfA:
0.0		 1tsnA-1cbfA:
19.74
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)
 0.94A 1tsnA-1ci7A:
37.5		 1tsnA-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.
1fnz BARK AGGLUTININ I,
POLYPEPTIDE A

(Robinia
pseudoacacia) 		PF00139
(Lectin_legB) 		5 ILE A 121
LEU A  51
LEU A 101
GLY A 108
PHE A 110
 None
 1.16A 1tsnA-1fnzA:
0.0		 1tsnA-1fnzA:
21.20
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)
 0.86A 1tsnA-1hvyA:
39.3		 1tsnA-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.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		5 SER A  30
ILE A  34
LEU A  81
GLY A 469
VAL A 473
 None
 1.10A 1tsnA-1hxjA:
0.0		 1tsnA-1hxjA:
19.96
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.
1iw8 ACID PHOSPHATASE

(Shimwellia
blattae) 		PF01569
(PAP2) 		6 HIS A 189
SER A 148
LEU A 179
GLY A 176
VAL A  75
ALA A  76
 SO4  A1001 (-4.5A)
SO4  A1001 (-3.6A)
None
None
None
None
 1.38A 1tsnA-1iw8A:
undetectable		 1tsnA-1iw8A:
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.
1lqk PROBABLE FOSFOMYCIN
RESISTANCE PROTEIN

(Pseudomonas
aeruginosa) 		PF00903
(Glyoxalase) 		5 ILE A  19
LEU A  47
GLY A  37
VAL A  12
ALA A  11
 None
 1.15A 1tsnA-1lqkA:
0.0		 1tsnA-1lqkA:
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.
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
 1.02A 1tsnA-1qvzA:
0.0		 1tsnA-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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ILE A 662
LEU A 668
LEU A 624
VAL A 601
ALA A 602
 None
 1.14A 1tsnA-1ry2A:
0.0		 1tsnA-1ry2A:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.16A 1tsnA-1sh2A:
undetectable		 1tsnA-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.
1x25 HYPOTHETICAL UPF0076
PROTEIN ST0811

(Sulfurisphaera
tokodaii) 		PF01042
(Ribonuc_L-PSP) 		5 ILE A  60
LEU A  54
GLY A  30
VAL A 120
ALA A  74
 None
 1.08A 1tsnA-1x25A:
undetectable		 1tsnA-1x25A:
16.92
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.
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
 1.13A 1tsnA-1xmbA:
undetectable		 1tsnA-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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		5 ILE A  61
GLY A  16
PHE A  62
VAL A  21
ALA A  22
 None
 1.16A 1tsnA-2a5vA:
undetectable		 1tsnA-2a5vA:
19.64
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)
 0.27A 1tsnA-2aazA:
undetectable		 1tsnA-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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 SER A  50
ILE A  47
LEU A 257
GLY A  42
ALA A  10
 None
None
None
None
ACT  A 321 ( 4.4A)
 1.09A 1tsnA-2ajrA:
undetectable		 1tsnA-2ajrA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bkw ALANINE-GLYOXYLATE
AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00266
(Aminotran_5) 		6 HIS A 145
SER A 179
ILE A 180
LEU A 267
LEU A 196
GLY A  68
 None
None
None
None
None
PLP  A1201 (-3.6A)
 1.47A 1tsnA-2bkwA:
undetectable		 1tsnA-2bkwA:
21.14
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.
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
 1.13A 1tsnA-2cn3A:
undetectable		 1tsnA-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
 1.08A 1tsnA-2fnoA:
undetectable		 1tsnA-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 1tsnA-2h1cA:
undetectable		 1tsnA-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)
 0.93A 1tsnA-2h2qA:
34.5		 1tsnA-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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 316
TRP A 317
LEU A 400
GLY A 430
PHE A 433
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 1.00A 1tsnA-2h2qA:
34.5		 1tsnA-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
 1.35A 1tsnA-2hmsA:
undetectable		 1tsnA-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.
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)
 1.10A 1tsnA-2mjhA:
undetectable		 1tsnA-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.
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 1tsnA-2nvuB:
undetectable		 1tsnA-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)
 0.42A 1tsnA-2oipA:
39.2		 1tsnA-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
 1.05A 1tsnA-2qyvA:
undetectable		 1tsnA-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)
 0.82A 1tsnA-2tddA:
35.5		 1tsnA-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 ILE A  81
TRP A  82
LEU A 195
GLY A 225
PHE A 228
 THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.94A 1tsnA-2tddA:
35.5		 1tsnA-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)
 0.75A 1tsnA-2tddA:
35.5		 1tsnA-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.
2w48 SORBITOL OPERON
REGULATOR

(Klebsiella
pneumoniae) 		PF04198
(Sugar-bind)
PF13936
(HTH_38) 		5 SER A 123
LEU A 106
GLY A 280
VAL A  79
ALA A  78
 None
 1.06A 1tsnA-2w48A:
undetectable		 1tsnA-2w48A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 178
ILE A 199
LEU A 227
PHE A 203
ALA A 365
 FAD  A1487 ( 4.0A)
NDP  A1488 (-3.9A)
None
None
None
 1.01A 1tsnA-2x50A:
undetectable		 1tsnA-2x50A:
20.52
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.
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)
 1.39A 1tsnA-3c6gA:
undetectable		 1tsnA-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.
3d31 SULFATE/MOLYBDATE
ABC TRANSPORTER,
PERMEASE PROTEIN

(Methanosarcina
acetivorans) 		PF00528
(BPD_transp_1) 		5 ILE C  41
GLY C  47
PHE C  45
VAL C 246
ALA C 245
 None
 1.09A 1tsnA-3d31C:
undetectable		 1tsnA-3d31C:
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.
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
 1.13A 1tsnA-3eatX:
undetectable		 1tsnA-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
 1.10A 1tsnA-3gocA:
undetectable		 1tsnA-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 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.80A 1tsnA-3ix6A:
35.3		 1tsnA-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 LEU A 143
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.86A 1tsnA-3ix6A:
35.3		 1tsnA-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
 0.68A 1tsnA-3kjrA:
38.6		 1tsnA-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.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 TRP A  17
LEU A  16
LEU A 116
GLY A 117
VAL A 109
 None
 1.16A 1tsnA-3mruA:
undetectable		 1tsnA-3mruA:
20.04
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.
3o0h GLUTATHIONE
REDUCTASE

(Bartonella
henselae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 160
ILE A 181
LEU A 206
PHE A 185
ALA A 343
 FAD  A 500 (-3.8A)
FAD  A 500 ( 4.3A)
None
None
None
 1.08A 1tsnA-3o0hA:
undetectable		 1tsnA-3o0hA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		5 LEU A 249
GLY A 294
PHE A 313
VAL A 160
ALA A 161
 None
 1.02A 1tsnA-3od1A:
undetectable		 1tsnA-3od1A:
22.03
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.
3odp PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Clostridium
novyi) 		PF01380
(SIS) 		5 SER A 186
ILE A 142
LEU A 111
GLY A  72
ALA A  65
 None
None
None
None
PO4  A 402 ( 4.6A)
 1.12A 1tsnA-3odpA:
undetectable		 1tsnA-3odpA:
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.
3t43 HIV EPITOPE-SCAFFOLD
4E10_1XIZA_S0_006_C

(synthetic
construct) 		PF00359
(PTS_EIIA_2) 		5 SER A 130
LEU A  91
GLY A  65
VAL A  47
ALA A  48
 None
 1.13A 1tsnA-3t43A:
undetectable		 1tsnA-3t43A:
19.63
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.
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
 1.13A 1tsnA-3ti7A:
undetectable		 1tsnA-3ti7A:
20.05
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.
3uxy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 ILE A  75
LEU A  70
GLY A  30
PHE A   4
ALA A  45
 None
 1.13A 1tsnA-3uxyA:
undetectable		 1tsnA-3uxyA:
24.08
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) 		5 SER A  54
LEU A 189
LEU A 220
GLY A 221
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.73A 1tsnA-3v8hA:
34.3		 1tsnA-3v8hA:
36.53
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
TRP A  80
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.96A 1tsnA-3v8hA:
34.3		 1tsnA-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.
3v96 STROMELYSIN-2

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 HIS B 195
ILE B 160
LEU B 211
VAL B 129
ALA B 128
 ZN  B 302 (-3.2A)
None
None
None
None
 1.15A 1tsnA-3v96B:
undetectable		 1tsnA-3v96B:
19.10
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.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 SER A 327
ILE A 301
GLY A 167
VAL A 382
ALA A 242
 SER  A 327 ( 0.0A)
ILE  A 301 ( 0.4A)
GLY  A 167 ( 0.0A)
VAL  A 382 ( 0.6A)
ALA  A 242 ( 0.0A)
 1.13A 1tsnA-3wd7A:
undetectable		 1tsnA-3wd7A:
19.23
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.
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
 1.16A 1tsnA-4a25A:
undetectable		 1tsnA-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.
4b0s DEAMIDASE-DEPUPYLASE
DOP

(Acidothermus
cellulolyticus) 		PF03136
(Pup_ligase) 		5 ILE A 174
LEU A 301
LEU A 286
GLY A 284
ALA A 309
 None
 1.06A 1tsnA-4b0sA:
undetectable		 1tsnA-4b0sA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.00A 1tsnA-4bgbA:
undetectable		 1tsnA-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.
4dna PROBABLE GLUTATHIONE
REDUCTASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 160
ILE A 181
LEU A 206
PHE A 185
ALA A 344
 FAD  A 500 ( 4.2A)
FAD  A 500 ( 4.4A)
None
None
None
 1.08A 1tsnA-4dnaA:
undetectable		 1tsnA-4dnaA:
20.18
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 1tsnA-4dq1A:
36.1		 1tsnA-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.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		5 SER A 215
ILE A 211
TYR A 335
VAL A 252
ALA A 251
 None
 1.10A 1tsnA-4dqvA:
undetectable		 1tsnA-4dqvA:
21.56
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)
 0.38A 1tsnA-4fogA:
40.7		 1tsnA-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
 1.12A 1tsnA-4gh7A:
undetectable		 1tsnA-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 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
 0.94A 1tsnA-4h0uA:
38.6		 1tsnA-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)
 0.83A 1tsnA-4h0uA:
38.6		 1tsnA-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
SER A  57
ILE A  82
TRP A  83
LEU A 146
GLY A 176
 None
None
None
None
None
UMP  A 301 (-3.6A)
 0.75A 1tsnA-4h0uA:
38.6		 1tsnA-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)
 0.70A 1tsnA-4h0uA:
38.6		 1tsnA-4h0uA:
63.67
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)
 0.93A 1tsnA-4iqqA:
36.1		 1tsnA-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) 		6 ILE A 110
TRP A 111
LEU A 194
LEU A 223
GLY A 224
PHE A 227
 D16  A 402 (-4.0A)
None
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
 1.10A 1tsnA-4iqqA:
36.1		 1tsnA-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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 5 TRP B 116
LEU B 136
GLY B 139
PHE B 140
VAL B 133
 None
 1.13A 1tsnA-4iu9B:
undetectable		 1tsnA-4iu9B:
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.
4kr8 OUTER MEMBRANE
PROTEIN F

(Salmonella
enterica) 		PF00267
(Porin_1) 		5 TRP A  23
GLY A  19
TYR A 112
VAL A 335
ALA A 334
 None
 1.12A 1tsnA-4kr8A:
undetectable		 1tsnA-4kr8A:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lru GLYOXALASE III
(GLUTATHIONE-INDEPEN
DENT)

(Candida
albicans) 		PF01965
(DJ-1_PfpI) 		5 LEU A   6
GLY A 105
PHE A  25
VAL A 135
ALA A 134
 None
 1.04A 1tsnA-4lruA:
undetectable		 1tsnA-4lruA:
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.
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 1tsnA-4n6qA:
undetectable		 1tsnA-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.
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)
 1.06A 1tsnA-4pg6A:
undetectable		 1tsnA-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
 1.10A 1tsnA-4qaeA:
undetectable		 1tsnA-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
 1.06A 1tsnA-4qyrA:
undetectable		 1tsnA-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.
4rs2 PREDICTED
ACYLTRANSFERASE WITH
ACYL-COA
N-ACYLTRANSFERASE
DOMAIN

(Escherichia
coli) 		PF13508
(Acetyltransf_7) 		5 LEU A 100
LEU A  77
PHE A 120
VAL A  57
ALA A  58
 None
COA  A 200 ( 4.4A)
None
None
None
 1.13A 1tsnA-4rs2A:
undetectable		 1tsnA-4rs2A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 1tsnA-4wqeA:
undetectable		 1tsnA-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
 1.03A 1tsnA-4xj5A:
undetectable		 1tsnA-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) 		6 ILE A  96
TRP A  97
LEU A 180
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 1.07A 1tsnA-4xscA:
36.4		 1tsnA-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) 		6 ILE A  96
TRP A  97
LEU A 180
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.74A 1tsnA-4xscA:
36.4		 1tsnA-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
 1.08A 1tsnA-5butA:
undetectable		 1tsnA-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.
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
 1.09A 1tsnA-5dqnA:
undetectable		 1tsnA-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
 0.94A 1tsnA-5eo9B:
undetectable		 1tsnA-5eo9B:
19.35
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)
 1.08A 1tsnA-5h3aA:
36.3		 1tsnA-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)
 1.01A 1tsnA-5h3aA:
36.3		 1tsnA-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.
5ir2 CELLULASE

(Parabacteroides
johnsonii) 		PF03737
(RraA-like) 		5 ILE A 194
LEU A 203
GLY A 197
VAL A  49
ALA A  48
 None
 1.13A 1tsnA-5ir2A:
undetectable		 1tsnA-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
 1.12A 1tsnA-5jn9A:
undetectable		 1tsnA-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.
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
 0.97A 1tsnA-5lstA:
undetectable		 1tsnA-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
 1.16A 1tsnA-5mhjA:
undetectable		 1tsnA-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.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		5 SER A 943
ILE A 939
TYR A1059
VAL A 980
ALA A 979
 None
 1.09A 1tsnA-5msoA:
undetectable		 1tsnA-5msoA:
13.45
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.
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
 0.90A 1tsnA-5n6mA:
undetectable		 1tsnA-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.
5ns8 -

(-) 		no annotation 5 SER A  15
ILE A  19
LEU A  65
GLY A 412
VAL A 416
 NOJ  A 506 ( 4.0A)
None
SO4  A 502 ( 4.9A)
None
None
 1.14A 1tsnA-5ns8A:
undetectable		 1tsnA-5ns8A:
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.
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)
 0.80A 1tsnA-5t0lA:
39.0		 1tsnA-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.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 ILE A 254
GLY A 251
PHE A 252
VAL A 136
ALA A 137
 None
 1.09A 1tsnA-5vf3A:
undetectable		 1tsnA-5vf3A:
19.01
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 LEU A 532
LEU A 642
GLY A 641
PHE A 639
ALA A 685
 None
 1.03A 1tsnA-5wvgA:
undetectable		 1tsnA-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
 1.15A 1tsnA-5x87A:
undetectable		 1tsnA-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
 1.22A 1tsnA-6aujA:
35.6		 1tsnA-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
LEU A 151
 None
None
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
None
 0.69A 1tsnA-6aujA:
35.6		 1tsnA-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)
 0.90A 1tsnA-6aujA:
35.6		 1tsnA-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
 1.48A 1tsnA-6b2qA:
undetectable		 1tsnA-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)
 1.09A 1tsnA-6cdzA:
41.9		 1tsnA-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
 1.32A 1tsnA-6cdzA:
41.9		 1tsnA-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 7 SER A  54
ILE A  79
TRP A  80
LEU A 143
LEU A 172
GLY A 173
PHE A 176
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
 1.07A 1tsnA-6cdzA:
41.9		 1tsnA-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.
6gun -

(-) 		no annotation 5 LEU A 288
GLY A 157
PHE A 160
TYR A  98
ALA A  60
 None
 1.14A 1tsnA-6gunA:
undetectable		 1tsnA-6gunA:
undetectable