SIMILAR PATTERNS OF AMINO ACIDS FOR 1TLS_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
 1.05A 1tlsA-1attA:
0.0		 1tlsA-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)
 1.00A 1tlsA-1ci7A:
37.3		 1tlsA-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.
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 1tlsA-1gnzA:
0.0		 1tlsA-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)
 0.85A 1tlsA-1hvyA:
39.5		 1tlsA-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
 1.14A 1tlsA-1hxjA:
0.0		 1tlsA-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.
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
 0.96A 1tlsA-1qvzA:
0.0		 1tlsA-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.
1wv2 THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Pseudomonas
aeruginosa) 		PF05690
(ThiG) 		5 ILE A1204
LEU A1183
GLY A1239
VAL A1213
ALA A1212
 None
 1.12A 1tlsA-1wv2A:
0.0		 1tlsA-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.
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
 1.02A 1tlsA-1x25A:
0.1		 1tlsA-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
 1.11A 1tlsA-1xmbA:
0.0		 1tlsA-1xmbA:
20.24
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)
 0.29A 1tlsA-2aazA:
undetectable		 1tlsA-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.
2ae0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A

(Escherichia
coli) 		PF03562
(MltA)
PF06725
(3D) 		5 ILE X  43
LEU X 296
GLY X 268
VAL X 250
ALA X 249
 None
 1.07A 1tlsA-2ae0X:
undetectable		 1tlsA-2ae0X:
20.67
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.
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 1tlsA-2chrA:
undetectable		 1tlsA-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.
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
 1.05A 1tlsA-2h1cA:
undetectable		 1tlsA-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)
 0.90A 1tlsA-2h2qA:
34.5		 1tlsA-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) 		5 ILE A  37
LEU A  66
GLY A  13
VAL A  42
ALA A  52
 NAI  A 601 (-3.8A)
None
NAI  A 601 (-3.3A)
None
None
 0.95A 1tlsA-2hmsA:
undetectable		 1tlsA-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.
2j0j FOCAL ADHESION
KINASE 1

(Gallus gallus) 		PF00373
(FERM_M)
PF07714
(Pkinase_Tyr) 		5 SER A  54
ILE A  71
LEU A 100
VAL A  80
ALA A  81
 None
 1.12A 1tlsA-2j0jA:
undetectable		 1tlsA-2j0jA:
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
 1.13A 1tlsA-2lniA:
undetectable		 1tlsA-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)
 1.10A 1tlsA-2mjhA:
undetectable		 1tlsA-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
 0.98A 1tlsA-2numA:
undetectable		 1tlsA-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 1tlsA-2nvuB:
undetectable		 1tlsA-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)
 0.50A 1tlsA-2oipA:
39.3		 1tlsA-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.
2q07 UNCHARACTERIZED
PROTEIN AF0587

(Archaeoglobus
fulgidus) 		PF01472
(PUA) 		5 LEU A 333
GLY A 352
TYR A 370
VAL A 349
ALA A 347
 None
 1.09A 1tlsA-2q07A:
undetectable		 1tlsA-2q07A:
20.58
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 1tlsA-2tddA:
35.5		 1tlsA-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.
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
 1.03A 1tlsA-2x50A:
undetectable		 1tlsA-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)
 1.40A 1tlsA-3c6gA:
undetectable		 1tlsA-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
 1.11A 1tlsA-3d31C:
undetectable		 1tlsA-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
 1.11A 1tlsA-3eatX:
undetectable		 1tlsA-3eatX:
20.45
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
 0.82A 1tlsA-3ix6A:
35.3		 1tlsA-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
 0.64A 1tlsA-3kjrA:
38.6		 1tlsA-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.
3n7t MACROPHAGE BINDING
PROTEIN

(Coccidioides
immitis) 		PF01965
(DJ-1_PfpI) 		5 LEU A  10
GLY A 110
PHE A  29
VAL A 140
ALA A 139
 None
 1.01A 1tlsA-3n7tA:
undetectable		 1tlsA-3n7tA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 1tlsA-3nlcA:
undetectable		 1tlsA-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.
3nze PUTATIVE
TRANSCRIPTIONAL
REGULATOR,
SUGAR-BINDING FAMILY

(Paenarthrobacter
aurescens) 		PF04198
(Sugar-bind) 		5 ILE A 279
LEU A 120
GLY A 209
VAL A 123
ALA A 122
 None
 1.10A 1tlsA-3nzeA:
undetectable		 1tlsA-3nzeA:
20.71
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.
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
 1.11A 1tlsA-3o0hA:
undetectable		 1tlsA-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.
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
 1.07A 1tlsA-3ti7A:
undetectable		 1tlsA-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.
3un9 NLR FAMILY MEMBER X1

(Homo sapiens) 		PF13516
(LRR_6) 		5 LEU A 875
LEU A 819
GLY A 820
VAL A 842
ALA A 843
 None
 0.98A 1tlsA-3un9A:
undetectable		 1tlsA-3un9A:
23.08
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)
 0.84A 1tlsA-3v8hA:
34.2		 1tlsA-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)
 1.09A 1tlsA-3v8hA:
34.2		 1tlsA-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
 1.13A 1tlsA-3vcyA:
undetectable		 1tlsA-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.
3wv4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		5 SER A 239
ILE A 238
LEU A  25
LEU A 213
GLY A 214
 None
 1.09A 1tlsA-3wv4A:
undetectable		 1tlsA-3wv4A:
20.43
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.
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 1tlsA-4a25A:
undetectable		 1tlsA-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.
4a25 FERRITIN DPS FAMILY
PROTEIN

(Kineococcus
radiotolerans) 		PF00210
(Ferritin) 		5 ILE A 128
LEU A  30
GLY A  29
VAL A  77
ALA A  78
 None
 1.01A 1tlsA-4a25A:
undetectable		 1tlsA-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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 SER A  90
LEU A  36
GLY A  32
VAL A  49
ALA A  50
 None
GOL  A1357 ( 4.6A)
GOL  A1357 ( 4.1A)
None
None
 1.15A 1tlsA-4a6eA:
undetectable		 1tlsA-4a6eA:
20.74
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.
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 1tlsA-4av6A:
undetectable		 1tlsA-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
 1.09A 1tlsA-4bgbA:
undetectable		 1tlsA-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.
4cpd ALCOHOL
DEHYDROGENASE

(Thermus sp.
ATN1) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  37
LEU A  57
GLY A  58
VAL A   4
ALA A   3
 None
 1.10A 1tlsA-4cpdA:
undetectable		 1tlsA-4cpdA:
22.43
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.
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
 1.08A 1tlsA-4dqvA:
undetectable		 1tlsA-4dqvA:
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.
4f52 GLOMULIN

(Homo sapiens) 		PF08568
(Kinetochor_Ybp2) 		5 SER E 114
ILE E 118
LEU E 126
LEU E 173
GLY E 172
 None
 1.13A 1tlsA-4f52E:
undetectable		 1tlsA-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)
 0.47A 1tlsA-4fogA:
40.8		 1tlsA-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 1tlsA-4gh7A:
undetectable		 1tlsA-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
 0.88A 1tlsA-4h0uA:
38.7		 1tlsA-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)
 0.88A 1tlsA-4h0uA:
38.7		 1tlsA-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)
 0.83A 1tlsA-4h0uA:
38.7		 1tlsA-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
 0.70A 1tlsA-4h0uA:
38.7		 1tlsA-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
GLY A 176
PHE A 179
 None
None
None
UMP  A 301 (-3.6A)
None
 0.94A 1tlsA-4h0uA:
38.7		 1tlsA-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
LEU A 175
GLY A 176
PHE A 179
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.84A 1tlsA-4h0uA:
38.7		 1tlsA-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
 1.13A 1tlsA-4hvmA:
undetectable		 1tlsA-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 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 1tlsA-4iqqA:
36.2		 1tlsA-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
TRP A 111
LEU A 194
LEU A 223
PHE A 227
 D16  A 402 (-4.0A)
None
None
D16  A 402 (-3.7A)
D16  A 402 (-3.2A)
 1.14A 1tlsA-4iqqA:
36.2		 1tlsA-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.
4j91 KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 ILE A  37
LEU A  66
GLY A  13
VAL A  42
ALA A  52
 ADP  A 601 (-3.9A)
None
ADP  A 601 (-3.4A)
None
None
 0.95A 1tlsA-4j91A:
undetectable		 1tlsA-4j91A:
22.35
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.
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
 0.98A 1tlsA-4lruA:
undetectable		 1tlsA-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 1tlsA-4n6qA:
undetectable		 1tlsA-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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A 315
LEU A 332
GLY A 333
VAL A 328
ALA A 327
 None
 1.14A 1tlsA-4nzsA:
undetectable		 1tlsA-4nzsA:
18.98
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.
4nzu 13PL LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 HIS H  35
LEU H   4
GLY H 104
VAL H   2
ALA H   1
 None
 1.07A 1tlsA-4nzuH:
undetectable		 1tlsA-4nzuH:
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.
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)
 1.07A 1tlsA-4pg6A:
undetectable		 1tlsA-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.
4ptx GLYCOSIDE HYDROLASE
FAMILY 1

(Halothermothrix
orenii) 		PF00232
(Glyco_hydro_1) 		5 SER A  17
ILE A  21
LEU A  67
GLY A 418
VAL A 422
 BGC  A 501 ( 4.9A)
None
None
None
None
 1.12A 1tlsA-4ptxA:
undetectable		 1tlsA-4ptxA:
20.97
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.
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
 1.11A 1tlsA-4qaeA:
undetectable		 1tlsA-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 1tlsA-4qyrA:
undetectable		 1tlsA-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
 1.06A 1tlsA-4r7kA:
undetectable		 1tlsA-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.
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
 1.06A 1tlsA-4rs2A:
undetectable		 1tlsA-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
 1.07A 1tlsA-4wqeA:
undetectable		 1tlsA-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
 1.01A 1tlsA-4xj5A:
undetectable		 1tlsA-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)
 1.12A 1tlsA-4xscA:
36.3		 1tlsA-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)
 0.81A 1tlsA-4xscA:
36.3		 1tlsA-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.
4yzt CELLULOSE HYDROLASE

(Bacillus
licheniformis) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		5 ILE A 325
GLY A  31
PHE A  65
VAL A 288
ALA A 291
 None
 1.00A 1tlsA-4yztA:
undetectable		 1tlsA-4yztA:
18.05
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.
4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		6 ILE A 106
LEU A 348
GLY A 159
PHE A 123
VAL A 327
ALA A 163
 None
 1.34A 1tlsA-4zzeA:
undetectable		 1tlsA-4zzeA:
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 ILE A  37
LEU A  66
LEU A  14
VAL A  42
ALA A  52
 None
 1.12A 1tlsA-5butA:
undetectable		 1tlsA-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
 1.05A 1tlsA-5c98A:
undetectable		 1tlsA-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
 1.08A 1tlsA-5dqnA:
undetectable		 1tlsA-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.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ILE A 147
GLY A 287
TYR A 290
VAL A 308
ALA A 307
 None
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
None
None
 1.11A 1tlsA-5e3iA:
undetectable		 1tlsA-5e3iA:
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		5 ILE A 224
LEU A  27
TYR A 137
VAL A 170
ALA A 169
 None
 1.15A 1tlsA-5egeA:
undetectable		 1tlsA-5egeA:
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.
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 1tlsA-5eo9B:
undetectable		 1tlsA-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
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)
 1.08A 1tlsA-5h3aA:
36.3		 1tlsA-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
 1.09A 1tlsA-5ir2A:
undetectable		 1tlsA-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
 1.10A 1tlsA-5jn9A:
undetectable		 1tlsA-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.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 LEU A 432
LEU A 482
GLY A 481
PHE A 349
ALA A 425
 None
None
None
None
ACP  A 904 (-3.6A)
 1.12A 1tlsA-5ksdA:
undetectable		 1tlsA-5ksdA:
14.99
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.
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 1tlsA-5lc5H:
undetectable		 1tlsA-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.
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
 0.99A 1tlsA-5lstA:
undetectable		 1tlsA-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.
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
 1.08A 1tlsA-5msoA:
undetectable		 1tlsA-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
 0.89A 1tlsA-5n6mA:
undetectable		 1tlsA-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)
 0.83A 1tlsA-5t0lA:
39.0		 1tlsA-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.
5vb0 FOSFOMYCIN
RESISTANCE PROTEIN
FOSA3

(Escherichia
coli) 		PF00903
(Glyoxalase) 		5 LEU A  47
LEU A  51
GLY A  37
VAL A  12
ALA A  11
 None
 1.15A 1tlsA-5vb0A:
undetectable		 1tlsA-5vb0A:
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.
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
 1.05A 1tlsA-5vf3A:
undetectable		 1tlsA-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
 1.01A 1tlsA-5wvgA:
undetectable		 1tlsA-5wvgA:
undetectable
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
LEU A 151
GLY A 181
 None
None
PGE  A 301 ( 4.2A)
None
PGE  A 301 ( 4.0A)
 0.94A 1tlsA-6aujA:
35.5		 1tlsA-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
 0.64A 1tlsA-6aujA:
35.5		 1tlsA-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 1tlsA-6aujA:
35.5		 1tlsA-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.
6brm PUTATIVE
METAL-DEPENDENT
ISOTHIOCYANATE
HYDROLASE SAXA

(Pectobacterium
carotovorum) 		no annotation 5 LEU A  65
GLY A 102
PHE A 104
VAL A  81
ALA A  77
 None
 1.14A 1tlsA-6brmA:
undetectable		 1tlsA-6brmA:
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)
 1.14A 1tlsA-6cdzA:
41.9		 1tlsA-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
 1.37A 1tlsA-6cdzA:
41.9		 1tlsA-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)
 1.11A 1tlsA-6cdzA:
41.9		 1tlsA-6cdzA:
undetectable