SIMILAR PATTERNS OF AMINO ACIDS FOR 6QXS_B_FOZB403

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.
1aol GP70

(Murine leukemia
virus) 		PF00429
(TLV_coat) 		5 PRO A  39
LEU A  41
ILE A 224
GLY A 195
PHE A 191
 None
 1.02A 6qxsB-1aolA:
undetectable		 6qxsB-1aolA:
20.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ILE A  93
TRP A  94
LEU A 187
GLY A 188
ASN A 192
 None
 1.00A 6qxsB-1bsfA:
30.7		 6qxsB-1bsfA:
33.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ILE A  93
TRP A  94
TRP A  97
GLY A 188
ASN A 192
 None
 0.81A 6qxsB-1bsfA:
30.7		 6qxsB-1bsfA:
33.03
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) 		5 ILE A  86
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.89A 6qxsB-1ci7A:
36.4		 6qxsB-1ci7A:
44.18
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
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.79A 6qxsB-1ci7A:
36.4		 6qxsB-1ci7A:
44.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hg8 ENDOPOLYGALACTURONAS
E

(Fusarium
verticillioides) 		PF00295
(Glyco_hydro_28) 		5 LEU A  58
ILE A  88
GLY A 107
PHE A  77
ILE A 146
 None
 1.01A 6qxsB-1hg8A:
0.0		 6qxsB-1hg8A:
20.53
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) 		7 ILE A 108
LEU A 192
LEU A 221
GLY A 222
PHE A 225
ASN A 226
TYR A 258
 D16  A 414 (-3.7A)
None
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
 1.10A 6qxsB-1hvyA:
38.5		 6qxsB-1hvyA:
48.77
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) 		6 ILE A 108
TRP A 109
LEU A 192
GLY A 222
ASN A 226
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
 0.77A 6qxsB-1hvyA:
38.5		 6qxsB-1hvyA:
48.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		5 LEU A  38
ILE A  67
GLY A  86
PHE A  57
ILE A 122
 None
 1.08A 6qxsB-1ia5A:
0.0		 6qxsB-1ia5A:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		5 LEU C 516
GLY C 517
PHE C 520
ASN C 521
TYR C 553
 None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-2.8A)
UMP  C 611 (-4.9A)
 0.56A 6qxsB-1j3jC:
34.9		 6qxsB-1j3jC:
37.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		5 TRP C 404
LEU C 487
LEU C 516
GLY C 517
ASN C 521
 None
None
None
UMP  C 611 (-3.5A)
UMP  C 611 (-2.8A)
 1.08A 6qxsB-1j3jC:
34.9		 6qxsB-1j3jC:
37.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nhc POLYGALACTURONASE I

(Aspergillus
niger) 		PF00295
(Glyco_hydro_28) 		5 LEU A  66
ILE A  95
GLY A 114
PHE A  85
ILE A 150
 None
 1.09A 6qxsB-1nhcA:
0.0		 6qxsB-1nhcA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pss PHOTOSYNTHETIC
REACTION CENTER
PHOTOSYNTHETIC
REACTION CENTER

(Rhodobacter
sphaeroides;
Rhodobacter
sphaeroides) 		PF00124
(Photo_RC)
PF00124
(Photo_RC) 		5 LEU L 232
ILE L 224
LEU M  39
GLY M  40
PHE M  42
 None
U10  L 272 (-4.4A)
None
None
None
 1.08A 6qxsB-1pssL:
0.0		 6qxsB-1pssL:
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		5 LEU A 348
TRP A 356
LEU A 410
GLY A 209
ILE A 340
 None
 1.09A 6qxsB-1qxpA:
undetectable		 6qxsB-1qxpA:
17.12
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.
1tul TLP20

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF06088
(TLP-20) 		5 LEU A  72
ILE A  86
GLY A  41
PHE A  88
ASN A  89
 None
 1.00A 6qxsB-1tulA:
undetectable		 6qxsB-1tulA:
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.
1tuu ACETATE KINASE

(Methanosarcina
thermophila) 		PF00871
(Acetate_kinase) 		5 LEU A 195
LEU A 347
LEU A 320
GLY A 322
ILE A 205
 None
 1.06A 6qxsB-1tuuA:
undetectable		 6qxsB-1tuuA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		5 LEU A 401
GLY A 382
PHE A 396
ASN A 395
ILE A 315
 None
 0.98A 6qxsB-1w8oA:
undetectable		 6qxsB-1w8oA:
20.27
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) 		8 ILE A 100
TRP A 101
LEU A 184
LEU A 222
GLY A 223
PHE A 226
ASN A 227
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.46A 6qxsB-2aazA:
undetectable		 6qxsB-2aazA:
41.01
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 LEU A  26
LEU A  37
GLY A  82
PHE A  86
TYR A 182
 None
 0.87A 6qxsB-2c7bA:
undetectable		 6qxsB-2c7bA:
22.74
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 LEU A1119
ILE A1087
LEU A1073
GLY A1074
PHE A1089
 None
 0.96A 6qxsB-2eyqA:
undetectable		 6qxsB-2eyqA:
14.16
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 680
LEU A 398
LEU A 718
GLY A 719
ILE A 674
 None
 1.05A 6qxsB-2f3oA:
undetectable		 6qxsB-2f3oA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 316
TRP A 317
GLY A 430
PHE A 433
ASN A 434
TYR A 466
 None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-3.0A)
DU  A 611 (-4.6A)
 1.03A 6qxsB-2h2qA:
33.4		 6qxsB-2h2qA:
27.37
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.
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
LEU A 429
GLY A 430
ASN A 434
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.92A 6qxsB-2h2qA:
33.4		 6qxsB-2h2qA:
27.37
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 316
TRP A 317
LEU A 429
GLY A 430
ASN A 434
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
DU  A 611 (-4.6A)
 0.74A 6qxsB-2h2qA:
33.4		 6qxsB-2h2qA:
27.37
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.
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
ASN A 434
TYR A 466
 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 ( 2.7A)
UMP  A 603 ( 4.3A)
 0.56A 6qxsB-2oipA:
37.8		 6qxsB-2oipA:
27.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p2v ALPHA-2,3-SIALYLTRAN
SFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 ILE A  19
LEU A 214
LEU A 158
GLY A 159
ILE A 154
 None
 1.09A 6qxsB-2p2vA:
undetectable		 6qxsB-2p2vA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2phl PHASEOLIN

(Phaseolus
vulgaris) 		PF00190
(Cupin_1) 		5 LEU A  54
ILE A 263
LEU A 275
PHE A  39
ILE A 261
 None
 1.07A 6qxsB-2phlA:
undetectable		 6qxsB-2phlA:
20.64
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) 		8 PRO A  53
LEU A  56
ILE A  81
TRP A  82
LEU A 195
GLY A 225
PHE A 228
ASN A 229
 THF  A 568 (-4.4A)
None
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)
UFP  A 529 (-3.7A)
 0.80A 6qxsB-2tddA:
43.0		 6qxsB-2tddA:
73.33
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) 		8 PRO A  53
LEU A  56
LEU A 195
LEU A 224
GLY A 225
PHE A 228
ASN A 229
TYR A 261
 THF  A 568 (-4.4A)
None
THF  A 568 (-4.6A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
UFP  A 529 (-4.7A)
 0.87A 6qxsB-2tddA:
43.0		 6qxsB-2tddA:
73.33
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) 		8 PRO A  53
LEU A  56
TRP A  82
LEU A 195
LEU A 224
GLY A 225
PHE A 228
ASN A 229
 THF  A 568 (-4.4A)
None
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.83A 6qxsB-2tddA:
43.0		 6qxsB-2tddA:
73.33
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 ILE A 105
LEU A 296
GLY A 140
PHE A 138
ILE A 144
 None
 1.10A 6qxsB-3ailA:
undetectable		 6qxsB-3ailA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cg1 UPF0100 PROTEIN
PF0080

(Pyrococcus
furiosus) 		PF13531
(SBP_bac_11) 		5 ILE A 186
LEU A 172
GLY A 163
PHE A 154
ILE A 199
 None
 1.04A 6qxsB-3cg1A:
undetectable		 6qxsB-3cg1A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cg3 UPF0100 PROTEIN
PH0151

(Pyrococcus
horikoshii) 		PF13531
(SBP_bac_11) 		5 PRO A 321
LEU A 303
GLY A 304
ASN A 305
ILE A 332
 None
 1.06A 6qxsB-3cg3A:
undetectable		 6qxsB-3cg3A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fxa SIS DOMAIN PROTEIN

(Listeria
monocytogenes) 		PF01380
(SIS) 		5 LEU A 173
ILE A  40
LEU A  62
ASN A  67
ILE A  96
 None
 0.98A 6qxsB-3fxaA:
undetectable		 6qxsB-3fxaA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL

(Plasmodium
falciparum) 		PF01180
(DHO_dh) 		5 LEU A 215
ILE A 307
PHE A 217
ASN A 219
ILE A 245
 None
 1.08A 6qxsB-3i6rA:
undetectable		 6qxsB-3i6rA:
21.09
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
ASN A 177
 None
 0.66A 6qxsB-3ix6A:
33.3		 6qxsB-3ix6A:
41.46
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 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 None
 0.52A 6qxsB-3ix6A:
33.3		 6qxsB-3ix6A:
41.46
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 306
TRP A 307
LEU A 390
LEU A 419
GLY A 420
PHE A 423
ASN A 424
TYR A 456
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
None
 0.63A 6qxsB-3kjrA:
38.1		 6qxsB-3kjrA:
28.96
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.
3owq LIN1025 PROTEIN

(Listeria
innocua) 		PF03816
(LytR_cpsA_psr) 		5 LEU A  77
ILE A 156
LEU A 166
GLY A 162
ASN A 159
 None
 0.94A 6qxsB-3owqA:
undetectable		 6qxsB-3owqA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 296
GLY A 370
PHE A 388
ASN A 389
ILE A 372
 None
 0.91A 6qxsB-3redA:
undetectable		 6qxsB-3redA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.52A 6qxsB-3um6A:
35.0		 6qxsB-3um6A:
22.96
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 TRP A 404
LEU A 487
LEU A 516
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.03A 6qxsB-3um6A:
35.0		 6qxsB-3um6A:
22.96
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 TRP A  80
GLY A 221
PHE A 224
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.00A 6qxsB-3v8hA:
32.9		 6qxsB-3v8hA:
32.02
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 TRP A  80
LEU A 189
LEU A 220
GLY A 221
ASN A 225
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.80A 6qxsB-3v8hA:
32.9		 6qxsB-3v8hA:
32.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vc7 PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 LEU A 205
ILE A 209
LEU A 250
GLY A 182
PHE A 183
 None
None
None
GOL  A 301 ( 4.7A)
GOL  A 301 (-4.0A)
 1.06A 6qxsB-3vc7A:
undetectable		 6qxsB-3vc7A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdn GLYCINE CLEAVAGE
SYSTEM H PROTEIN,
MITOCHONDRIAL

(Bos taurus) 		PF01597
(GCV_H) 		5 PRO A  67
ILE A  97
GLY A  53
PHE A  52
TYR A  36
 None
 1.09A 6qxsB-3wdnA:
undetectable		 6qxsB-3wdnA:
17.30
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.
4cij GST REP

(Geobacillus
stearothermophilus) 		PF02486
(Rep_trans) 		5 LEU A 261
LEU A 226
GLY A 224
TYR A 229
ILE A 197
 None
 1.02A 6qxsB-4cijA:
undetectable		 6qxsB-4cijA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dji PROBABLE
GLUTAMATE/GAMMA-AMIN
OBUTYRATE ANTIPORTER

(Escherichia
coli) 		PF13520
(AA_permease_2) 		5 LEU A 107
ILE A 305
TRP A 308
LEU A 494
GLY A 300
 None
 0.96A 6qxsB-4djiA:
undetectable		 6qxsB-4djiA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 PRO A  74
ILE A  83
LEU A 351
GLY A 145
ILE A 147
 None
 1.04A 6qxsB-4dpkA:
undetectable		 6qxsB-4dpkA:
22.14
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 LEU A  59
ILE A  84
LEU A 198
GLY A 228
ASN A 232
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-2.7A)
 1.08A 6qxsB-4dq1A:
39.3		 6qxsB-4dq1A:
65.52
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) 		6 LEU A  59
LEU A 198
LEU A 227
GLY A 228
ASN A 232
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-2.7A)
UMP  A 501 (-4.2A)
 0.63A 6qxsB-4dq1A:
39.3		 6qxsB-4dq1A:
65.52
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 5 PRO A 534
LEU A 537
LEU A 594
LEU A 559
ILE A 580
 None
 0.85A 6qxsB-4ecoA:
undetectable		 6qxsB-4ecoA:
18.72
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.
4fas HYDROXYLAMINE
OXIDOREDUCTASE

(Nitrosomonas
europaea) 		PF13447
(Multi-haem_cyto) 		5 PRO A 335
LEU A 450
LEU A 457
GLY A 456
ASN A 269
 None
 1.03A 6qxsB-4fasA:
undetectable		 6qxsB-4fasA:
21.17
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) 		8 ILE A  79
TRP A  80
TRP A  83
LEU A 143
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 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)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.50A 6qxsB-4fogA:
38.1		 6qxsB-4fogA:
52.38
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 ILE A  82
TRP A  83
LEU A 146
GLY A 176
ASN A 180
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-3.0A)
 0.77A 6qxsB-4h0uA:
36.1		 6qxsB-4h0uA:
52.37
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 LEU A 146
LEU A 175
GLY A 176
PHE A 179
ASN A 180
 None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
 0.58A 6qxsB-4h0uA:
36.1		 6qxsB-4h0uA:
52.37
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 LEU A 175
GLY A 176
PHE A 179
ASN A 180
TYR A 212
 None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
UMP  A 301 (-4.5A)
 0.51A 6qxsB-4h0uA:
36.1		 6qxsB-4h0uA:
52.37
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 TRP A  83
LEU A 146
GLY A 176
PHE A 179
ASN A 180
 None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
 0.84A 6qxsB-4h0uA:
36.1		 6qxsB-4h0uA:
52.37
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.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		5 PRO A  17
ILE A  94
LEU A 371
GLY A 135
PHE A 120
 None
 1.09A 6qxsB-4hjwA:
undetectable		 6qxsB-4hjwA:
22.41
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
LEU A 223
GLY A 224
PHE A 227
ASN A 228
TYR A 260
 D16  A 402 (-4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
UMP  A 401 (-3.3A)
D16  A 402 ( 4.2A)
 1.08A 6qxsB-4iqqA:
35.0		 6qxsB-4iqqA:
43.63
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 223
GLY A 224
PHE A 227
ASN A 228
 D16  A 402 (-4.0A)
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
UMP  A 401 (-3.3A)
 1.13A 6qxsB-4iqqA:
35.0		 6qxsB-4iqqA:
43.63
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 TRP A 111
LEU A 194
LEU A 223
GLY A 224
ASN A 228
 None
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 0.83A 6qxsB-4iqqA:
35.0		 6qxsB-4iqqA:
43.63
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.
4iws PA0254

(Pseudomonas
aeruginosa) 		PF01977
(UbiD) 		6 PRO A  67
LEU A  64
ILE A 305
LEU A 209
PHE A   8
ILE A 259
 None
 1.48A 6qxsB-4iwsA:
undetectable		 6qxsB-4iwsA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		5 LEU A 401
GLY A 382
PHE A 396
ASN A 395
ILE A 315
 None
 1.04A 6qxsB-4j9tA:
undetectable		 6qxsB-4j9tA:
21.97
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.
4nar PUTATIVE URONATE
ISOMERASE

(Thermotoga
maritima) 		PF09861
(DUF2088) 		5 LEU A  67
ILE A 170
ASN A 149
TYR A 242
ILE A 210
 None
 1.09A 6qxsB-4narA:
undetectable		 6qxsB-4narA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nzr PROTEIN M TD

(Mycoplasma
genitalium) 		no annotation 5 LEU M 330
GLY M 324
PHE M 325
ASN M 300
ILE M 395
 None
 1.08A 6qxsB-4nzrM:
undetectable		 6qxsB-4nzrM:
20.61
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.
4pfm 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Shewanella
benthica) 		PF00701
(DHDPS) 		6 PRO A  12
TRP A 254
LEU A 283
LEU A 261
GLY A 260
ILE A 209
 None
 1.35A 6qxsB-4pfmA:
undetectable		 6qxsB-4pfmA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		5 LEU A 260
ILE A 331
GLY A 357
PHE A 358
ASN A 355
 None
 0.98A 6qxsB-4q6tA:
undetectable		 6qxsB-4q6tA:
21.62
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.
4qtf L,D-TRANSPEPTIDASE
LDTB

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ILE A 374
LEU A 391
GLY A 392
ASN A 395
ILE A 328
 None
 1.06A 6qxsB-4qtfA:
undetectable		 6qxsB-4qtfA:
21.22
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.
4u09 LIC12759

(Leptospira
interrogans) 		PF13855
(LRR_8) 		6 LEU A  53
ILE A  78
LEU A 102
LEU A  69
ASN A  95
ILE A  83
 None
 1.36A 6qxsB-4u09A:
undetectable		 6qxsB-4u09A:
22.00
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
LEU A 180
GLY A 210
PHE A 213
ASN A 214
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 1.29A 6qxsB-4xscA:
34.5		 6qxsB-4xscA:
41.81
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
LEU A 180
LEU A 209
GLY A 210
ASN A 214
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 0.82A 6qxsB-4xscA:
34.5		 6qxsB-4xscA:
41.81
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
ASN A 214
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.66A 6qxsB-4xscA:
34.5		 6qxsB-4xscA:
41.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0c CLP PROTEASE-RELATED
PROTEIN AT4G12060,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 LEU B 216
ILE B 204
LEU B 171
GLY B 125
ILE B 200
 None
 1.07A 6qxsB-4y0cB:
undetectable		 6qxsB-4y0cB:
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.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 LEU I 123
LEU I 330
LEU I 377
GLY I 327
PHE I 125
 None
 0.95A 6qxsB-4zoqI:
undetectable		 6qxsB-4zoqI:
21.68
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.
5bqs 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Streptococcus
pneumoniae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A 308
ILE A 285
GLY A 138
PHE A 115
ILE A 287
 None
 0.95A 6qxsB-5bqsA:
undetectable		 6qxsB-5bqsA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		5 ILE A 158
LEU A 304
GLY A 305
PHE A  24
ILE A 231
 None
 1.08A 6qxsB-5d8wA:
undetectable		 6qxsB-5d8wA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN ALPHA-L
INTEGRIN BETA-2

(Homo sapiens;
Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 PRO B 156
LEU B 253
ILE A 329
LEU A  84
GLY A 102
 None
 1.05A 6qxsB-5e6sB:
undetectable		 6qxsB-5e6sB:
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.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 ILE A  97
LEU A  17
GLY A 172
PHE A 170
ILE A  55
 None
 1.05A 6qxsB-5epdA:
undetectable		 6qxsB-5epdA:
21.07
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
ASN A 250
TYR A 282
 D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
UMP  A 402 (-4.5A)
 0.95A 6qxsB-5h3aA:
34.8		 6qxsB-5h3aA:
45.48
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
ASN A 250
 D16  A 401 ( 4.0A)
None
None
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
 0.68A 6qxsB-5h3aA:
34.8		 6qxsB-5h3aA:
45.48
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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 6 LEU C 428
ILE C 290
LEU C 298
GLY C 296
PHE C 295
ASN C 368
 None
None
None
None
None
SFG  C1002 (-4.1A)
 1.19A 6qxsB-5hr4C:
undetectable		 6qxsB-5hr4C:
15.85
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.
5hxz BARBITURASE

(Rhodococcus
erythropolis) 		PF09663
(Amido_AtzD_TrzD) 		6 ILE A 201
LEU A 123
LEU A 199
GLY A 195
ASN A 194
ILE A 134
 None
None
None
None
MHA  A 403 (-2.7A)
None
 1.42A 6qxsB-5hxzA:
undetectable		 6qxsB-5hxzA:
21.20
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.
5i5l BACTERIOPHYTOCHROME
PROTEIN

(Agrobacterium
fabrum) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		6 PRO A 376
ILE A 433
LEU A 484
LEU A 402
GLY A 418
PHE A 435
 None
 1.45A 6qxsB-5i5lA:
undetectable		 6qxsB-5i5lA:
23.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		7 LEU A  55
ILE A  80
GLY A 224
PHE A 227
ASN A 228
TYR A 260
ILE A 313
 None
 1.17A 6qxsB-5j7wA:
38.5		 6qxsB-5j7wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		6 LEU A  55
ILE A  80
LEU A 194
PHE A 227
ASN A 228
ILE A 313
 None
 1.50A 6qxsB-5j7wA:
38.5		 6qxsB-5j7wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		6 PRO A  52
LEU A  55
LEU A 194
LEU A 223
ASN A 228
ILE A 313
 None
 0.95A 6qxsB-5j7wA:
38.5		 6qxsB-5j7wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		7 PRO A  52
LEU A  55
LEU A 223
GLY A 224
ASN A 228
TYR A 260
ILE A 313
 None
 0.51A 6qxsB-5j7wA:
38.5		 6qxsB-5j7wA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0u CAPSID PROTEIN VP3

(Rhinovirus C) 		PF00073
(Rhv) 		5 LEU B  84
ILE B  53
LEU B  98
GLY B  99
PHE B  93
 None
 1.08A 6qxsB-5k0uB:
undetectable		 6qxsB-5k0uB:
20.12
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.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 ILE A 105
LEU A  25
GLY A 178
PHE A 176
ILE A  63
 None
 1.04A 6qxsB-5k1uA:
undetectable		 6qxsB-5k1uA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ku5 SENSOR KINASE CUSS

(Escherichia
coli) 		no annotation 5 LEU A 153
ILE A 151
LEU A 127
GLY A 123
ILE A  48
 None
 1.08A 6qxsB-5ku5A:
undetectable		 6qxsB-5ku5A:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A 402
LEU A 486
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 1.10A 6qxsB-5t0lA:
37.5		 6qxsB-5t0lA:
25.17
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 402
TRP A 403
LEU A 486
GLY A 517
ASN A 521
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
 0.76A 6qxsB-5t0lA:
37.5		 6qxsB-5t0lA:
25.17
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.
5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		6 LEU A 208
ILE A 162
LEU A 174
GLY A 171
PHE A 167
ILE A 155
 None
 1.34A 6qxsB-5vslA:
undetectable		 6qxsB-5vslA:
25.42
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 ILE A  79
LEU A 172
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 1.08A 6qxsB-6cdzA:
37.5		 6qxsB-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 ILE A  79
TRP A  80
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.86A 6qxsB-6cdzA:
37.5		 6qxsB-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 TRP A  80
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.92A 6qxsB-6cdzA:
37.5		 6qxsB-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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 LEU A1270
ILE A1289
LEU A1223
GLY A1224
ASN A1146
 None
 1.10A 6qxsB-6ez8A:
undetectable		 6qxsB-6ez8A:
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 LEU A 424
LEU A 409
GLY A 603
PHE A 600
ILE A 396
 None
 1.08A 6qxsB-6fn1A:
undetectable		 6qxsB-6fn1A:
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.
6gbh HOPQ

(Helicobacter
pylori) 		no annotation 5 LEU C 158
ILE C 230
LEU C  97
GLY C  96
ILE C 278
 None
 1.04A 6qxsB-6gbhC:
undetectable		 6qxsB-6gbhC:
undetectable