SIMILAR PATTERNS OF AMINO ACIDS FOR 6QYA_D_FOZD401_0

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.
1alq CP254 BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 ILE A  75
GLY A 187
PHE A 186
ILE A 194
ALA A 195
 None
 0.87A 6qyaD-1alqA:
0.0		 6qyaD-1alqA:
20.42
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) 		8 ILE A  86
TRP A  87
LEU A 170
HIS A 174
LEU A 205
GLY A 206
ASN A 210
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
None
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 ( 4.7A)
 0.74A 6qyaD-1ci7A:
35.9		 6qyaD-1ci7A:
44.18
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) 		5 ILE A 108
GLY A 222
ASN A 226
TYR A 258
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.59A 6qyaD-1hvyA:
37.9		 6qyaD-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) 		5 ILE A 108
LEU A 221
GLY A 222
TYR A 258
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.73A 6qyaD-1hvyA:
37.9		 6qyaD-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)
 0.69A 6qyaD-1hvyA:
37.9		 6qyaD-1hvyA:
48.77
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)
 0.49A 6qyaD-1j3jC:
34.8		 6qyaD-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.
1mpt M-PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 LEU A  82
ILE A   8
LEU A 267
GLY A 229
ALA A 223
 None
 1.31A 6qyaD-1mptA:
0.0		 6qyaD-1mptA:
19.33
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.
1nsv GALACTOSE MUTAROTASE

(Lactococcus
lactis) 		PF01263
(Aldose_epim) 		5 LEU A 260
ILE A 301
HIS A 170
PHE A 303
ILE A 242
 None
None
BGC  A1400 (-4.0A)
None
None
 1.27A 6qyaD-1nsvA:
0.0		 6qyaD-1nsvA:
23.85
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.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 LEU A 330
GLY A 342
ASN A 310
TYR A 215
ALA A 359
 None
 0.95A 6qyaD-1pieA:
0.0		 6qyaD-1pieA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 LEU X 211
ILE X 287
GLY X 292
PHE X 331
ILE X 290
 None
 1.35A 6qyaD-1r6bX:
0.0		 6qyaD-1r6bX:
16.45
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.
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
 1.02A 6qyaD-1tulA:
undetectable		 6qyaD-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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 GLY A 694
ASN A 730
TYR A 689
ILE A 726
ALA A 691
 None
 1.11A 6qyaD-1u1hA:
0.0		 6qyaD-1u1hA:
17.64
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.
1v59 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 105
ILE A  22
GLY A  17
ILE A 341
ALA A 342
 None
 0.99A 6qyaD-1v59A:
undetectable		 6qyaD-1v59A:
21.29
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.
1v5x PHOSPHORIBOSYLANTHRA
NILATE ISOMERASE

(Thermus
thermophilus) 		PF00697
(PRAI) 		5 LEU A 173
ILE A   5
LEU A  49
LEU A  20
GLY A  21
 None
 1.25A 6qyaD-1v5xA:
undetectable		 6qyaD-1v5xA:
23.53
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.
1zl0 HYPOTHETICAL PROTEIN
PA5198

(Pseudomonas
aeruginosa) 		PF02016
(Peptidase_S66) 		5 LEU A 188
LEU A 242
GLY A 243
ILE A 245
ALA A 270
 None
 1.27A 6qyaD-1zl0A:
undetectable		 6qyaD-1zl0A:
20.34
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) 		9 ILE A 100
TRP A 101
LEU A 184
HIS A 188
LEU A 222
GLY A 223
PHE A 226
ASN A 227
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
UMP  A 350 (-4.2A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
UMP  A 350 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.44A 6qyaD-2aazA:
undetectable		 6qyaD-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
 0.76A 6qyaD-2c7bA:
undetectable		 6qyaD-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.
2db0 253AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF02985
(HEAT) 		5 LEU A 183
ILE A 186
LEU A 162
LEU A 190
ALA A 199
 None
 1.17A 6qyaD-2db0A:
undetectable		 6qyaD-2db0A:
23.80
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli;
Escherichia
coli) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		5 LEU A 227
GLY B 421
ASN A 204
ILE A 251
ALA A 252
 None
 1.27A 6qyaD-2e0xA:
undetectable		 6qyaD-2e0xA:
23.10
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli;
Escherichia
coli) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		5 LEU A 227
ILE B 425
GLY B 421
ASN A 204
ALA A 252
 None
 1.25A 6qyaD-2e0xA:
undetectable		 6qyaD-2e0xA:
23.10
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.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		5 LEU A 273
ILE A 270
GLY A 265
ILE A 216
ALA A 215
 None
 1.18A 6qyaD-2gu0A:
undetectable		 6qyaD-2gu0A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 316
HIS A 404
LEU A 429
GLY A 430
ASN A 434
TYR A 466
 None
DU  A 611 (-4.2A)
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
DU  A 611 (-4.6A)
 0.58A 6qyaD-2h2qA:
32.9		 6qyaD-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
LEU A 400
HIS A 404
LEU A 429
GLY A 430
ASN A 434
 None
None
DU  A 611 (-4.2A)
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.81A 6qyaD-2h2qA:
32.9		 6qyaD-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
HIS A 404
GLY A 430
ASN A 434
 None
None
None
DU  A 611 (-4.2A)
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.72A 6qyaD-2h2qA:
32.9		 6qyaD-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.
2hh6 BH3980 PROTEIN

(Bacillus
halodurans) 		PF06304
(DUF1048) 		5 LEU A  90
ILE A  61
LEU A  78
PHE A  86
ALA A  69
 None
 1.23A 6qyaD-2hh6A:
undetectable		 6qyaD-2hh6A:
16.56
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.
2iay HYPOTHETICAL PROTEIN

(Lactobacillus
plantarum) 		PF08866
(DUF1831) 		5 LEU A  58
LEU A  30
GLY A  31
PHE A  42
ILE A 109
 None
 1.12A 6qyaD-2iayA:
undetectable		 6qyaD-2iayA:
17.65
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 ILE A 315
TRP A 316
LEU A 399
HIS A 403
LEU A 429
GLY A 430
PHE A 433
ASN A 434
TYR A 466
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
UMP  A 603 ( 4.4A)
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)
CB3  A 604 ( 4.0A)
 0.54A 6qyaD-2oipA:
37.5		 6qyaD-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.
2phl PHASEOLIN

(Phaseolus
vulgaris) 		PF00190
(Cupin_1) 		6 LEU A  54
ILE A 263
LEU A 275
PHE A  39
ILE A 261
ALA A 304
 None
 1.34A 6qyaD-2phlA:
undetectable		 6qyaD-2phlA:
20.64
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.
2pt7 HYPOTHETICAL PROTEIN

(Helicobacter
pylori) 		no annotation 5 LEU G 188
LEU G 227
GLY G 225
ILE G 230
ALA G 231
 None
 1.23A 6qyaD-2pt7G:
undetectable		 6qyaD-2pt7G:
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.
2ptz ENOLASE

(Trypanosoma
brucei) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 LEU A 259
ILE A 218
LEU A 225
GLY A 153
ILE A 215
 None
 1.25A 6qyaD-2ptzA:
undetectable		 6qyaD-2ptzA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermotoga
maritima) 		PF00342
(PGI) 		5 LEU A  88
ILE A 215
LEU A 207
GLY A 206
ASN A  81
 None
 1.13A 6qyaD-2q8nA:
undetectable		 6qyaD-2q8nA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 ILE A 138
GLY A 205
PHE A 140
ILE A  24
ALA A  23
 None
 1.32A 6qyaD-2quaA:
undetectable		 6qyaD-2quaA:
19.39
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  56
HIS A 199
LEU A 224
PHE A 228
TYR A 261
 None
None
THF  A 568 (-3.6A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.83A 6qyaD-2tddA:
42.6		 6qyaD-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) 		5 LEU A  56
ILE A  81
TRP A  82
LEU A 195
PHE A 228
 None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
THF  A 568 (-4.8A)
 0.86A 6qyaD-2tddA:
42.6		 6qyaD-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) 		5 LEU A  56
ILE A  81
TRP A  82
PHE A 228
ASN A 229
 None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-4.8A)
UFP  A 529 (-3.7A)
 0.61A 6qyaD-2tddA:
42.6		 6qyaD-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) 		5 LEU A  56
LEU A 195
LEU A 224
GLY A 225
PHE A 228
 None
THF  A 568 (-4.6A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.73A 6qyaD-2tddA:
42.6		 6qyaD-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) 		6 LEU A  56
LEU A 224
GLY A 225
PHE A 228
ASN A 229
TYR A 261
 None
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)
 0.57A 6qyaD-2tddA:
42.6		 6qyaD-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.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		5 LEU B 518
ILE B 542
HIS B 533
LEU B 556
GLY B 557
 None
 1.16A 6qyaD-3b78B:
undetectable		 6qyaD-3b78B:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3din PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Thermotoga
maritima) 		PF00344
(SecY) 		5 LEU C 174
ILE C 187
PHE C  28
ILE C 189
ALA C 398
 None
 1.34A 6qyaD-3dinC:
undetectable		 6qyaD-3dinC:
20.18
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.
3e6e ALANINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A  13
GLY A  43
ASN A  42
ILE A  18
ALA A  55
 None
 0.81A 6qyaD-3e6eA:
undetectable		 6qyaD-3e6eA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fib FIBRINOGEN GAMMA
CHAIN RESIDUES

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 LEU A 344
HIS A 340
PHE A 293
TYR A 262
ALA A 260
 None
 1.22A 6qyaD-3fibA:
undetectable		 6qyaD-3fibA:
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.
3i16 ALUMINUM RESISTANCE
PROTEIN

(Clostridium
novyi) 		PF06838
(Met_gamma_lyase) 		5 LEU A 309
LEU A 390
GLY A 406
ILE A 351
ALA A 378
 None
 1.09A 6qyaD-3i16A:
undetectable		 6qyaD-3i16A:
21.57
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
 0.57A 6qyaD-3ix6A:
32.7		 6qyaD-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
 0.40A 6qyaD-3ix6A:
32.7		 6qyaD-3ix6A:
41.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		5 HIS A 175
LEU A 200
GLY A 201
ASN A 205
TYR A 237
 None
 0.47A 6qyaD-3kgbA:
31.0		 6qyaD-3kgbA:
45.65
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 306
TRP A 307
HIS A 394
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
 0.46A 6qyaD-3kjrA:
37.7		 6qyaD-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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 306
TRP A 307
LEU A 390
HIS A 394
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
None
 0.59A 6qyaD-3kjrA:
37.7		 6qyaD-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.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 289
LEU A 114
GLY A 216
TYR A 194
ILE A 228
 None
 1.27A 6qyaD-3mi9A:
undetectable		 6qyaD-3mi9A:
21.29
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.
3mq4 METABOTROPIC
GLUTAMATE RECEPTOR 7

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A  51
LEU A 449
GLY A 445
ILE A 452
ALA A 421
 None
 1.34A 6qyaD-3mq4A:
undetectable		 6qyaD-3mq4A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nrb FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Pseudomonas
putida) 		PF00551
(Formyl_trans_N)
PF01842
(ACT) 		5 ILE A 190
LEU A 177
GLY A 187
PHE A 223
ILE A 168
 None
 1.09A 6qyaD-3nrbA:
undetectable		 6qyaD-3nrbA:
20.49
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.
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)
 0.45A 6qyaD-3um6A:
35.0		 6qyaD-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 HIS A 193
LEU A 220
GLY A 221
ASN A 225
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.51A 6qyaD-3v8hA:
32.6		 6qyaD-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) 		5 LEU A 189
HIS A 193
LEU A 220
GLY A 221
ASN A 225
 CIT  A 400 (-4.3A)
None
None
None
None
 0.30A 6qyaD-3v8hA:
32.6		 6qyaD-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) 		5 TRP A  80
LEU A 189
HIS A 193
LEU A 220
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 0.57A 6qyaD-3v8hA:
32.6		 6qyaD-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.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		5 LEU A 203
GLY A 204
PHE A 207
ILE A  51
ALA A 179
 None
None
IPE  A 402 (-4.5A)
None
None
 1.04A 6qyaD-3wjoA:
undetectable		 6qyaD-3wjoA:
20.46
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 LEU A 881
LEU A 741
GLY A 918
PHE A 919
ALA A 925
 None
 1.24A 6qyaD-3zyvA:
undetectable		 6qyaD-3zyvA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU B  84
ILE B 376
GLY B 379
ILE B 337
ALA B 360
 None
None
IMP  B1527 (-3.5A)
None
None
 1.34A 6qyaD-4af0B:
undetectable		 6qyaD-4af0B:
21.42
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.
4at0 3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E

(Rhodococcus
jostii) 		PF00890
(FAD_binding_2) 		5 LEU A 337
LEU A 400
LEU A 382
GLY A 310
ASN A 307
 None
 1.25A 6qyaD-4at0A:
undetectable		 6qyaD-4at0A:
19.34
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.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 LEU A 714
LEU A 673
GLY A 672
ILE A 698
ALA A 749
 None
 1.34A 6qyaD-4azcA:
undetectable		 6qyaD-4azcA:
21.71
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
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)
 1.29A 6qyaD-4dq1A:
39.2		 6qyaD-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)
 0.53A 6qyaD-4dq1A:
39.2		 6qyaD-4dq1A:
65.52
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
LEU A 143
HIS A 147
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 (-4.8A)
UFP  A 301 (-4.0A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.48A 6qyaD-4fogA:
37.6		 6qyaD-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) 		6 HIS A 150
LEU A 175
GLY A 176
PHE A 179
ASN A 180
TYR A 212
 UMP  A 301 (-4.2A)
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
UMP  A 301 (-4.5A)
 0.46A 6qyaD-4h0uA:
35.6		 6qyaD-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 ILE A  82
TRP A  83
LEU A 146
HIS A 150
ASN A 180
 None
None
None
UMP  A 301 (-4.2A)
UMP  A 301 (-3.0A)
 0.58A 6qyaD-4h0uA:
35.6		 6qyaD-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) 		6 LEU A 146
HIS A 150
LEU A 175
GLY A 176
PHE A 179
ASN A 180
 None
UMP  A 301 (-4.2A)
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-3.0A)
 0.53A 6qyaD-4h0uA:
35.6		 6qyaD-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
HIS A 150
GLY A 176
ASN A 180
 None
None
UMP  A 301 (-4.2A)
UMP  A 301 (-3.6A)
UMP  A 301 (-3.0A)
 0.59A 6qyaD-4h0uA:
35.6		 6qyaD-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.
4imm OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Moraxella
catarrhalis) 		PF13360
(PQQ_2) 		5 LEU A 319
LEU A 325
GLY A 301
ILE A 340
ALA A 341
 None
None
NA  A 402 (-3.3A)
None
None
 1.14A 6qyaD-4immA:
undetectable		 6qyaD-4immA:
22.04
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
HIS A 198
GLY A 224
ASN A 228
TYR A 260
 D16  A 402 (-4.0A)
UMP  A 401 ( 4.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
D16  A 402 ( 4.2A)
 0.57A 6qyaD-4iqqA:
34.6		 6qyaD-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 ILE A 110
TRP A 111
HIS A 198
GLY A 224
ASN A 228
 D16  A 402 (-4.0A)
None
UMP  A 401 ( 4.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 0.49A 6qyaD-4iqqA:
34.6		 6qyaD-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
HIS A 198
GLY A 224
ASN A 228
 None
None
UMP  A 401 ( 4.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 0.61A 6qyaD-4iqqA:
34.6		 6qyaD-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.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 LEU A 435
ILE A 444
LEU A 463
GLY A 464
ILE A 446
 None
 1.12A 6qyaD-4nnbA:
undetectable		 6qyaD-4nnbA:
22.56
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.
4nz0 GENOME POLYPROTEIN

(Cardiovirus A) 		PF00680
(RdRP_1) 		5 LEU A 251
ILE A 304
LEU A  82
PHE A 256
ASN A  87
 None
 1.31A 6qyaD-4nz0A:
undetectable		 6qyaD-4nz0A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ofw PROTEIN DJ-1 HOMOLOG
D

(Arabidopsis
thaliana) 		PF01965
(DJ-1_PfpI) 		5 LEU A 189
LEU A 169
GLY A 167
ILE A 116
ALA A 117
 None
 1.00A 6qyaD-4ofwA:
undetectable		 6qyaD-4ofwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 LEU A 297
LEU A 136
GLY A 141
PHE A 139
ILE A 145
 None
 1.09A 6qyaD-4p9nA:
undetectable		 6qyaD-4p9nA:
23.24
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.
4qae NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ILE A 166
LEU A 137
GLY A  35
PHE A 168
TYR A 138
 None
 1.35A 6qyaD-4qaeA:
undetectable		 6qyaD-4qaeA:
20.25
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.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE

(Aspergillus
fumigatus) 		PF00724
(Oxidored_FMN) 		5 ILE A 103
LEU A  21
GLY A 169
PHE A 167
ILE A  61
 None
 1.02A 6qyaD-4qnwA:
undetectable		 6qyaD-4qnwA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 570
LEU A 533
LEU A 563
GLY A 560
ILE A 526
 None
 1.24A 6qyaD-4tz0A:
undetectable		 6qyaD-4tz0A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4utg SUGAR KINASE

(Burkholderia
pseudomallei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 249
ILE A 190
GLY A 171
PHE A 172
ASN A 173
 None
 1.27A 6qyaD-4utgA:
undetectable		 6qyaD-4utgA:
23.34
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 LEU A 213
ILE A 252
LEU A 268
GLY A 267
ILE A 270
 None
 1.25A 6qyaD-4xmvA:
undetectable		 6qyaD-4xmvA:
18.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 ILE A  96
LEU A 209
GLY A 210
ASN A 214
TYR A 246
 1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
BVP  A1001 (-4.5A)
 0.51A 6qyaD-4xscA:
34.1		 6qyaD-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)
 0.59A 6qyaD-4xscA:
34.1		 6qyaD-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.
4xuv GLYCOSIDE HYDROLASE
FAMILY 105 PROTEIN

(Thielavia
terrestris) 		PF07470
(Glyco_hydro_88) 		5 LEU A 238
LEU A 172
GLY A 173
ILE A 168
ALA A 106
 None
 1.05A 6qyaD-4xuvA:
undetectable		 6qyaD-4xuvA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 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 6qyaD-4zoqI:
undetectable		 6qyaD-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.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 LEU A 122
ILE A 145
GLY A 116
ILE A 157
ALA A 156
 None
 1.15A 6qyaD-5cm5A:
undetectable		 6qyaD-5cm5A:
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.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		5 ILE A  98
LEU A  18
GLY A 176
PHE A 174
ILE A  56
 None
 1.13A 6qyaD-5dxxA:
undetectable		 6qyaD-5dxxA:
23.43
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.
5ee7 GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Homo sapiens;
Escherichia
virus T4) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 LEU A 388
LEU A 192
LEU A 394
GLY A 393
ALA A 154
 OLA  A1204 (-3.7A)
OLA  A1207 ( 4.5A)
OLA  A1204 ( 4.3A)
None
None
 1.30A 6qyaD-5ee7A:
undetectable		 6qyaD-5ee7A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 392
LEU A 504
LEU A 399
ILE A 317
ALA A 364
 None
 1.03A 6qyaD-5gn5A:
undetectable		 6qyaD-5gn5A:
22.32
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)
 0.62A 6qyaD-5h3aA:
34.5		 6qyaD-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
HIS A 220
ASN A 250
 D16  A 401 ( 4.0A)
None
None
UMP  A 402 (-3.9A)
UMP  A 402 (-3.2A)
 0.78A 6qyaD-5h3aA:
34.5		 6qyaD-5h3aA:
45.48
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) 		5 LEU A  55
GLY A 224
PHE A 227
TYR A 260
ILE A 313
 None
 1.09A 6qyaD-5j7wA:
38.4		 6qyaD-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
LEU A 223
GLY A 224
ASN A 228
TYR A 260
ILE A 313
 None
 0.48A 6qyaD-5j7wA:
38.4		 6qyaD-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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 402
LEU A 486
HIS A 490
LEU A 516
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.69A 6qyaD-5t0lA:
37.4		 6qyaD-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) 		5 ILE A 402
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.98A 6qyaD-5t0lA:
37.4		 6qyaD-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) 		8 ILE A 402
TRP A 403
LEU A 486
HIS A 490
GLY A 517
ASN A 521
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.66A 6qyaD-5t0lA:
37.4		 6qyaD-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.
5xge UNCHARACTERIZED
PROTEIN PA0861

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 476
ILE A 459
LEU A 514
LEU A 500
GLY A 499
 None
 1.35A 6qyaD-5xgeA:
undetectable		 6qyaD-5xgeA:
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.
5yrp SENSORY BOX/RESPONSE
REGULATOR

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 450
LEU A 420
GLY A 416
ILE A 443
ALA A 385
 None
 1.22A 6qyaD-5yrpA:
undetectable		 6qyaD-5yrpA:
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
HIS A 147
GLY A 173
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
UMP  A 702 (-4.3A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.57A 6qyaD-6cdzA:
37.3		 6qyaD-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
LEU A 172
GLY A 173
ASN A 177
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
UMP  A 702 ( 4.2A)
 0.75A 6qyaD-6cdzA:
37.3		 6qyaD-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.
6exs PEPTIDE ABC
TRANSPORTER PERMEASE

(Staphylococcus
hominis) 		no annotation 5 HIS A  56
LEU A  60
GLY A  59
ILE A  62
ALA A  67
 None
 1.29A 6qyaD-6exsA:
undetectable		 6qyaD-6exsA:
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.
6ezm IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Saccharomyces
cerevisiae) 		no annotation 5 LEU U 155
HIS U 162
LEU U 100
GLY U  97
ILE U  66
 None
MN  U 301 (-3.2A)
None
None
None
 1.31A 6qyaD-6ezmU:
undetectable		 6qyaD-6ezmU:
undetectable