SIMILAR PATTERNS OF AMINO ACIDS FOR 6R2E_F_FFOF403

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.
1a9x CARBAMOYL PHOSPHATE
SYNTHETASE (SMALL
CHAIN)

(Escherichia
coli) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain) 		5 PHE B1814
LEU B1825
LEU B1774
GLY B1771
ALA B1778
 CYG  B1769 (-4.8A)
None
None
CYG  B1769 ( 4.1A)
None
 1.30A 6r2eF-1a9xB:
0.0		 6r2eF-1a9xB:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ae1 TROPINONE
REDUCTASE-I

(Datura
stramonium) 		PF13561
(adh_short_C2) 		5 PHE A  96
LEU A 248
LEU A 145
GLY A 151
ASN A 150
 None
 1.27A 6r2eF-1ae1A:
0.0		 6r2eF-1ae1A:
21.31
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) 		10 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.82A 6r2eF-1ci7A:
43.5		 6r2eF-1ci7A:
55.56
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.
1h54 MALTOSE
PHOSPHORYLASE

(Lactobacillus
brevis) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ILE A 426
ASN A 495
ASP A 431
GLY A 430
ALA A 485
 None
 1.25A 6r2eF-1h54A:
0.0		 6r2eF-1h54A:
17.95
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) 		10 PHE A  80
ILE A 108
TRP A 109
ASN A 112
LEU A 192
ASP A 218
LEU A 221
GLY A 222
ASN A 226
MET A 311
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
 0.79A 6r2eF-1hvyA:
46.9		 6r2eF-1hvyA:
99.65
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) 		10 PHE A  80
ILE A 108
TRP A 109
LEU A 192
ASP A 218
LEU A 221
GLY A 222
ASN A 226
MET A 311
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.82A 6r2eF-1hvyA:
46.9		 6r2eF-1hvyA:
99.65
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 ILE C 403
TRP C 404
ASN C 407
LEU C 487
ASN C 521
 None
None
None
None
UMP  C 611 (-2.8A)
 0.92A 6r2eF-1j3jC:
40.4		 6r2eF-1j3jC:
49.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jl5 OUTER PROTEIN YOPM

(Yersinia pestis) 		PF12468
(TTSSLRR) 		5 PHE A1177
ASN A1141
LEU A1123
LEU A1117
ALA A1098
 None
 1.32A 6r2eF-1jl5A:
0.1		 6r2eF-1jl5A:
24.95
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.
1ks9 2-DEHYDROPANTOATE
2-REDUCTASE

(Escherichia
coli) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ILE A 129
LEU A  53
LEU A  14
GLY A  12
ALA A  18
 None
 1.25A 6r2eF-1ks9A:
0.0		 6r2eF-1ks9A:
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.
1pw4 GLYCEROL-3-PHOSPHATE
TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 PHE A 195
ILE A 198
LEU A  96
LEU A  43
ALA A  39
 None
 1.27A 6r2eF-1pw4A:
0.0		 6r2eF-1pw4A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		5 ILE A  94
LEU A 171
LEU A 111
GLY A 112
ASN A  90
 None
 1.16A 6r2eF-1uuoA:
undetectable		 6r2eF-1uuoA:
24.17
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		5 ILE A 183
LEU A  98
LEU A  52
ASN A 204
ALA A 157
 None
 1.12A 6r2eF-1xocA:
undetectable		 6r2eF-1xocA:
19.55
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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		5 PHE A  27
ILE A 140
ASP A  44
LEU A  52
ALA A  46
 None
 1.28A 6r2eF-1y8cA:
undetectable		 6r2eF-1y8cA:
18.95
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) 		10 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.49A 6r2eF-2aazA:
undetectable		 6r2eF-2aazA:
56.34
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.
2ak3 ADENYLATE KINASE
ISOENZYME-3

(Bos taurus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 ILE A  10
ASN A 111
LEU A 182
GLY A  89
ALA A  13
 None
None
None
AMP  A 226 (-4.7A)
None
 1.14A 6r2eF-2ak3A:
undetectable		 6r2eF-2ak3A:
21.02
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.
2bgh VINORINE SYNTHASE

(Rauvolfia
serpentina) 		PF02458
(Transferase) 		5 ILE A  81
ASN A 135
GLY A  79
ASN A  90
ALA A 141
 None
 1.29A 6r2eF-2bghA:
undetectable		 6r2eF-2bghA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 ILE A 559
LEU A 512
LEU A 425
GLY A 424
ALA A 493
 None
 1.02A 6r2eF-2c3oA:
undetectable		 6r2eF-2c3oA:
13.74
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.
2can ORNITHINE
AMINOTRANSFERASE

(Homo sapiens) 		PF00202
(Aminotran_3) 		5 ILE A 420
ASN A  89
GLY A 353
ASN A 378
ALA A 346
 None
 1.29A 6r2eF-2canA:
undetectable		 6r2eF-2canA:
23.52
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A 167
ILE A 188
ASN A 227
ASP A 138
GLY A 142
 None
 1.37A 6r2eF-2eu9A:
undetectable		 6r2eF-2eu9A:
20.95
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 PHE A 117
ILE A 102
LEU A 430
LEU A  67
GLY A  66
 None
 1.09A 6r2eF-2g3nA:
undetectable		 6r2eF-2g3nA:
21.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A 288
ILE A 316
ASN A 320
LEU A 400
GLY A 430
ASN A 434
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.94A 6r2eF-2h2qA:
39.7		 6r2eF-2h2qA:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A 288
ILE A 316
ASP A 426
LEU A 429
GLY A 430
ASN A 434
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.76A 6r2eF-2h2qA:
39.7		 6r2eF-2h2qA:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A 288
ILE A 316
TRP A 317
ASN A 320
LEU A 400
ASN A 434
 None
None
None
None
None
DU  A 611 (-3.0A)
 0.78A 6r2eF-2h2qA:
39.7		 6r2eF-2h2qA:
39.35
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.
2hf8 PROBABLE HYDROGENASE
NICKEL INCORPORATION
PROTEIN HYPB

(Methanocaldococcus
jannaschii) 		PF02492
(cobW) 		5 ILE A  66
ASN A 121
ASP A  98
LEU A 101
ASN A  24
 None
 1.21A 6r2eF-2hf8A:
undetectable		 6r2eF-2hf8A:
22.29
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.
2ia7 TAIL LYSOZYME,
PUTATIVE

(Geobacter
sulfurreducens) 		PF04965
(GPW_gp25) 		5 PHE A 127
ILE A 108
LEU A  71
GLY A  72
ASN A  76
 None
 1.21A 6r2eF-2ia7A:
undetectable		 6r2eF-2ia7A:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		5 ILE A 230
LEU A  13
ASP A 411
LEU A 328
GLY A 408
 None
 1.13A 6r2eF-2ijzA:
undetectable		 6r2eF-2ijzA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivp O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Pyrococcus
abyssi) 		PF00814
(Peptidase_M22) 		5 PHE A  74
ILE A 290
LEU A 282
GLY A  14
ALA A  25
 None
 1.10A 6r2eF-2ivpA:
undetectable		 6r2eF-2ivpA:
22.81
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.
2j86 PROTEIN
SERINE-THREONINE
PHOSPHATASE

(Synechococcus
elongatus) 		PF13672
(PP2C_2) 		5 PHE A  20
LEU A  11
LEU A 195
GLY A 194
ALA A 223
 None
 1.28A 6r2eF-2j86A:
undetectable		 6r2eF-2j86A:
21.45
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.
2o62 HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		PF12204
(DUF3598) 		5 PHE A 233
TRP A 258
LEU A  70
GLY A  93
ALA A  96
 None
 1.05A 6r2eF-2o62A:
undetectable		 6r2eF-2o62A:
23.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
ASN A 434
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.68A 6r2eF-2oipA:
44.5		 6r2eF-2oipA:
35.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron) 		PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		5 ILE A 749
LEU A 880
ASP A 885
ASN A 719
ALA A 867
 None
None
PO4  A2005 (-3.4A)
None
PO4  A2005 ( 4.0A)
 1.37A 6r2eF-2q1fA:
undetectable		 6r2eF-2q1fA:
16.33
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 ILE A  81
LEU A 195
ASP A 221
GLY A 225
ASN A 229
 THF  A 568 ( 4.8A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-3.7A)
 0.89A 6r2eF-2tddA:
34.2		 6r2eF-2tddA:
40.61
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
ASP A 221
LEU A 224
GLY A 225
ASN A 229
 THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-3.7A)
 0.70A 6r2eF-2tddA:
34.2		 6r2eF-2tddA:
40.61
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.
2v95 CORTICOSTEROID-BINDI
NG GLOBULIN

(Rattus
norvegicus) 		PF00079
(Serpin) 		5 ASN A  99
LEU A 167
LEU A  52
GLY A  53
ALA A  48
 None
 1.30A 6r2eF-2v95A:
undetectable		 6r2eF-2v95A:
23.37
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 PHE A 104
ASN A 284
ASP A 271
LEU A 270
GLY A 274
 None
 1.35A 6r2eF-2wskA:
undetectable		 6r2eF-2wskA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y7d 3-KETO-5-AMINOHEXANO
ATE CLEAVAGE ENZYME

(Candidatus
Cloacimonas
acidaminovorans) 		PF05853
(BKACE) 		5 ILE A 225
LEU A 247
ASP A 231
GLY A 206
ALA A   9
 None
 1.15A 6r2eF-2y7dA:
undetectable		 6r2eF-2y7dA:
24.78
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.
2zci PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Corynebacterium
glutamicum) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ILE A  60
LEU A 367
ASP A 353
LEU A  62
GLY A 352
 None
 1.33A 6r2eF-2zciA:
undetectable		 6r2eF-2zciA:
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 ASN A 677
LEU A 674
ASP A 593
LEU A 153
GLY A 111
 None
 1.35A 6r2eF-3abzA:
undetectable		 6r2eF-3abzA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afo NADH KINASE POS5

(Saccharomyces
cerevisiae) 		PF01513
(NAD_kinase) 		5 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.21A 6r2eF-3afoA:
undetectable		 6r2eF-3afoA:
19.80
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.
3aje PUTATIVE
UNCHARACTERIZED
PROTEIN ST1526

(Sulfurisphaera
tokodaii) 		PF01300
(Sua5_yciO_yrdC)
PF03481
(SUA5) 		5 ILE A 170
LEU A 132
LEU A  40
GLY A  39
ALA A  42
 None
None
None
THR  A 353 (-3.3A)
None
 1.19A 6r2eF-3ajeA:
undetectable		 6r2eF-3ajeA:
21.12
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.
3fm2 UNCHARACTERIZED
PROTEIN, DISTANTLY
RELATED TO A HEME
BINDING/DEGRADING
HEMS (PF05171)
FAMILY

(Trichormus
variabilis) 		PF06228
(ChuX_HutX) 		5 PHE A  99
LEU A  38
LEU A  15
GLY A  16
ALA A  11
 None
 1.32A 6r2eF-3fm2A:
undetectable		 6r2eF-3fm2A:
19.86
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.
3fz4 PUTATIVE ARSENATE
REDUCTASE

(Streptococcus
mutans) 		PF03960
(ArsC) 		5 PHE A  56
ILE A  42
ASP A  88
LEU A  91
GLY A  89
 None
 1.21A 6r2eF-3fz4A:
undetectable		 6r2eF-3fz4A:
16.36
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.
3gvz UNCHARACTERIZED
PROTEIN CV2077

(Chromobacterium
violaceum) 		PF03417
(AAT) 		5 PHE A 215
TRP A 242
LEU A  68
ASP A 269
ALA A 271
 None
 1.02A 6r2eF-3gvzA:
undetectable		 6r2eF-3gvzA:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hsi PHOSPHATIDYLSERINE
SYNTHASE

(Haemophilus
influenzae) 		PF13091
(PLDc_2) 		5 TRP A 384
ASN A 254
ASP A 387
LEU A 386
ASN A 380
 None
 1.25A 6r2eF-3hsiA:
undetectable		 6r2eF-3hsiA:
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.
3i3a ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Leptospira
interrogans) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 PHE A 147
ASN A  86
LEU A 142
GLY A 143
ASN A 144
 None
 1.25A 6r2eF-3i3aA:
undetectable		 6r2eF-3i3aA:
20.91
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.
3ics COENZYME A-DISULFIDE
REDUCTASE

(Bacillus
anthracis) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 PHE A 541
LEU A 516
GLY A 517
ASN A 536
ALA A 364
 None
 1.22A 6r2eF-3icsA:
undetectable		 6r2eF-3icsA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jru PROBABLE CYTOSOL
AMINOPEPTIDASE

(Xanthomonas
oryzae) 		no annotation 5 PHE B   5
LEU B  63
ASP B  18
GLY B 108
ALA B  72
 None
 1.36A 6r2eF-3jruB:
undetectable		 6r2eF-3jruB:
20.93
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 PHE A  60
ASP A 197
LEU A 200
GLY A 201
ASN A 205
 None
 0.80A 6r2eF-3kgbA:
36.4		 6r2eF-3kgbA:
54.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 306
TRP A 307
ASN A 310
ASP A 416
LEU A 419
GLY A 420
ASN A 424
MET A 509
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
GOL  A 516 (-4.0A)
 0.37A 6r2eF-3kjrA:
44.6		 6r2eF-3kjrA:
35.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 306
TRP A 307
ASN A 310
LEU A 390
ASP A 416
LEU A 419
GLY A 420
MET A 509
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
GOL  A 516 (-4.0A)
 0.50A 6r2eF-3kjrA:
44.6		 6r2eF-3kjrA:
35.42
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.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 PHE A 194
LEU A 174
GLY A 173
ASN A 437
ALA A  63
 None
 1.18A 6r2eF-3m1lA:
undetectable		 6r2eF-3m1lA:
22.89
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.
3mn1 PROBABLE YRBI FAMILY
PHOSPHATASE

(Pseudomonas
savastanoi) 		PF08282
(Hydrolase_3) 		5 ILE A 124
LEU A  97
LEU A 129
GLY A 128
ALA A  20
 None
 1.17A 6r2eF-3mn1A:
undetectable		 6r2eF-3mn1A:
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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 117
LEU A 125
GLY A 368
MET A 128
ALA A 127
 None
 1.32A 6r2eF-3mwcA:
undetectable		 6r2eF-3mwcA:
23.00
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.
3nrf APAG PROTEIN

(Pseudomonas
aeruginosa) 		PF14263
(DUF4354) 		5 PHE A  30
LEU A  82
ASP A 103
GLY A 102
ALA A  50
 MRD  A 128 (-4.4A)
None
None
None
None
 1.20A 6r2eF-3nrfA:
undetectable		 6r2eF-3nrfA:
14.86
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.
3op7 AMINOTRANSFERASE
CLASS I AND II

(Streptococcus
suis) 		PF00155
(Aminotran_1_2) 		5 ILE A  83
TRP A 232
LEU A 219
ASP A 259
GLY A  63
 None
 1.20A 6r2eF-3op7A:
undetectable		 6r2eF-3op7A:
24.69
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.
3qz3 FERRITIN

(Vibrio cholerae) 		PF00210
(Ferritin) 		5 PHE A  48
ILE A 143
LEU A  89
GLY A  90
ALA A 156
 EDO  A 182 ( 4.7A)
None
None
None
None
 1.35A 6r2eF-3qz3A:
undetectable		 6r2eF-3qz3A:
19.20
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.
3rwx HYPOTHETICAL
BACTERIAL OUTER
MEMBRANE PROTEIN

(Bacteroides
fragilis) 		PF13944
(Calycin_like) 		5 PHE A  95
ILE A  72
ASP A  69
GLY A  70
ASN A  31
 None
None
None
GOL  A 291 ( 4.5A)
MLY  A  32 (-3.9A)
 1.22A 6r2eF-3rwxA:
undetectable		 6r2eF-3rwxA:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 403
TRP A 404
ASN A 407
LEU A 487
ASN A 521
 None
None
None
None
UMP  A 611 (-2.8A)
 0.92A 6r2eF-3um6A:
40.6		 6r2eF-3um6A:
28.95
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 ASN A  83
LEU A 189
LEU A 220
GLY A 221
ASN A 225
 None
CIT  A 400 (-4.3A)
None
None
None
 0.73A 6r2eF-3v8hA:
34.8		 6r2eF-3v8hA:
33.43
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		5 ILE A  38
LEU A 299
ASP A 121
LEU A  48
GLY A  47
 None
 1.23A 6r2eF-3va8A:
undetectable		 6r2eF-3va8A:
21.93
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		5 LEU A 299
ASP A 121
LEU A  48
GLY A  47
ALA A 329
 None
 1.28A 6r2eF-3va8A:
undetectable		 6r2eF-3va8A:
21.93
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		5 ILE A  39
LEU A 301
ASP A 123
LEU A  50
GLY A  49
 None
 1.26A 6r2eF-3vdgA:
undetectable		 6r2eF-3vdgA:
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.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		5 ILE A 346
LEU A 360
ASP A 339
GLY A 340
ALA A 461
 None
 1.16A 6r2eF-3wfzA:
undetectable		 6r2eF-3wfzA:
16.91
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.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 ILE A 200
ASP A 238
LEU A 241
GLY A 183
ALA A 205
 None
 1.13A 6r2eF-3wtbA:
undetectable		 6r2eF-3wtbA:
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.
4blp PACKAGING ENZYME P4

(Pseudomonas
phage phi13) 		PF11602
(NTPase_P4) 		5 LEU A 197
LEU A 252
GLY A 147
ASN A 243
ALA A 204
 None
 1.35A 6r2eF-4blpA:
undetectable		 6r2eF-4blpA:
23.41
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Thermobispora
bispora) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 296
ASP A 118
LEU A  45
GLY A  44
ALA A 326
 None
 1.29A 6r2eF-4dhgA:
undetectable		 6r2eF-4dhgA:
25.16
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.
4efi 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A 116
LEU A  72
GLY A  70
ASN A 102
ALA A  76
 None
 1.20A 6r2eF-4efiA:
undetectable		 6r2eF-4efiA:
20.41
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) 		6 ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
 0.64A 6r2eF-4fogA:
37.8		 6r2eF-4fogA:
44.92
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) 		7 ILE A 110
TRP A 111
ASN A 114
LEU A 194
LEU A 223
GLY A 224
ASN A 228
 D16  A 402 (-4.0A)
None
None
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 0.95A 6r2eF-4iqqA:
41.5		 6r2eF-4iqqA:
60.43
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.
4joq ABC RIBOSE
TRANSPORTER,
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Rhodobacter
sphaeroides) 		PF13407
(Peripla_BP_4) 		5 PHE A  67
ILE A  34
LEU A 104
ASP A  81
ALA A  72
 None
 1.28A 6r2eF-4joqA:
undetectable		 6r2eF-4joqA:
19.40
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.
4k05 CONSERVED
HYPOTHETICAL
EXPORTED PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		5 ILE A 185
LEU A 348
LEU A 183
GLY A 182
ASN A 178
 None
 1.03A 6r2eF-4k05A:
undetectable		 6r2eF-4k05A:
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 857
ASN A 911
ASP A 640
GLY A 878
ALA A 642
 None
None
CA  A1203 (-2.6A)
CA  A1203 ( 4.4A)
DCP  A1201 ( 4.3A)
 1.27A 6r2eF-4ptfA:
undetectable		 6r2eF-4ptfA:
13.08
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.
4qla JUVENILE HORMONE
EPOXIDE HYDROLASE

(Bombyx mori) 		PF06441
(EHN) 		5 LEU A 168
LEU A 151
GLY A 225
ASN A 250
ALA A 183
 None
 1.17A 6r2eF-4qlaA:
undetectable		 6r2eF-4qlaA:
22.48
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.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 ILE A 227
LEU A 121
GLY A 243
MET A 188
ALA A 187
 None
 1.25A 6r2eF-4ryeA:
undetectable		 6r2eF-4ryeA:
21.13
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.
4tsh SURFACE PROTEIN
ADHESIN

(Streptococcus
mutans) 		PF16364
(Antigen_C) 		5 PHE B1403
LEU B1380
GLY B1369
ASN B1477
ALA B1454
 None
 1.32A 6r2eF-4tshB:
undetectable		 6r2eF-4tshB:
20.35
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 PHE A  68
ASP A 206
LEU A 209
GLY A 210
ASN A 214
 None
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.40A 6r2eF-4xscA:
39.9		 6r2eF-4xscA:
65.94
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) 		7 PHE A  68
ILE A  96
TRP A  97
LEU A 180
LEU A 209
GLY A 210
ASN A 214
 None
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.89A 6r2eF-4xscA:
39.9		 6r2eF-4xscA:
65.94
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.
4yf6 BETA-CARBONIC
ANHYDRASE 1

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		5 ILE A  83
LEU A  46
LEU A  85
GLY A 148
ALA A  34
 None
 1.22A 6r2eF-4yf6A:
undetectable		 6r2eF-4yf6A:
20.80
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.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B

(Methylobacterium
extorquens) 		PF12706
(Lactamase_B_2) 		5 ILE A  42
ASP A 293
GLY A 294
ASN A  67
ALA A   9
 None
 1.28A 6r2eF-4z7rA:
undetectable		 6r2eF-4z7rA:
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.
4zqb NADP-DEPENDENT
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF02826
(2-Hacid_dh_C) 		5 ILE A   4
LEU A  58
LEU A   6
GLY A  33
ALA A  51
 None
 1.28A 6r2eF-4zqbA:
undetectable		 6r2eF-4zqbA:
22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		5 ILE A 102
TRP A 103
ASN A 106
LEU A 186
ASN A 220
 DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
None
UMP  A 401 (-3.2A)
 0.97A 6r2eF-5by6A:
41.6		 6r2eF-5by6A:
61.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		5 PHE A  74
ASP A 212
LEU A 215
GLY A 216
ASN A 220
 None
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-3.2A)
 0.54A 6r2eF-5by6A:
41.6		 6r2eF-5by6A:
61.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		5 PHE A  74
ILE A 102
TRP A 103
ASN A 106
ASN A 220
 None
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
UMP  A 401 (-3.2A)
 0.79A 6r2eF-5by6A:
41.6		 6r2eF-5by6A:
61.66
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 LEU A 174
ASP A 533
LEU A 537
GLY A 535
ALA A 527
 None
 1.32A 6r2eF-5df0A:
undetectable		 6r2eF-5df0A:
20.33
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.
5dll AMINOPEPTIDASE N

(Francisella
tularensis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ILE A 279
LEU A 118
LEU A 165
ASN A 167
ALA A 200
 None
 1.28A 6r2eF-5dllA:
undetectable		 6r2eF-5dllA:
16.43
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 PHE A 376
ASN A 674
GLY A 317
ASN A 319
ALA A  83
 None
 1.36A 6r2eF-5dotA:
undetectable		 6r2eF-5dotA:
12.27
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) 		6 ILE A 132
TRP A 133
ASN A 136
LEU A 216
GLY A 246
ASN A 250
 D16  A 401 ( 4.0A)
None
None
None
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
 0.78A 6r2eF-5h3aA:
42.3		 6r2eF-5h3aA:
71.38
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 PHE A 104
ILE A 132
TRP A 133
GLY A 246
ASN A 250
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
 0.80A 6r2eF-5h3aA:
42.3		 6r2eF-5h3aA:
71.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h45 DNA REPAIR PROTEIN
RADA

(Thermus
thermophilus) 		PF13541
(ChlI) 		5 PHE A 405
LEU A 340
ASP A 348
GLY A 350
ALA A 283
 None
 1.26A 6r2eF-5h45A:
undetectable		 6r2eF-5h45A:
25.30
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASC

(Escherichia
coli) 		PF09344
(Cas_CT1975) 		5 ILE D 230
ASN D   3
ASP D 179
GLY D 180
ASN D 238
 None
 1.33A 6r2eF-5h9fD:
undetectable		 6r2eF-5h9fD:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 PHE B 387
ILE B 365
ASN B 344
LEU B 322
ASP B 316
 None
 1.12A 6r2eF-5hz1B:
undetectable		 6r2eF-5hz1B:
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ILE A 867
LEU A 926
ASP A 873
LEU A 869
GLY A 870
 None
 1.09A 6r2eF-5ja1A:
undetectable		 6r2eF-5ja1A:
13.20
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.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 5 ILE B 776
LEU B 770
LEU B 841
GLY B 838
ALA B 844
 None
 1.35A 6r2eF-5khnB:
undetectable		 6r2eF-5khnB:
16.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
ALA A 609
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.71A 6r2eF-5t0lA:
45.0		 6r2eF-5t0lA:
38.34
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 ILE A  62
ASN A 150
LEU A 113
GLY A 110
ALA A 155
 None
 1.22A 6r2eF-5td7A:
undetectable		 6r2eF-5td7A:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tsq IUNH

(Leishmania
braziliensis) 		PF01156
(IU_nuc_hydro) 		5 PHE A 224
ILE A  81
ASN A 160
LEU A 191
ASP A 241
 None
None
BDR  A 402 (-3.1A)
None
BDR  A 402 ( 2.5A)
 1.36A 6r2eF-5tsqA:
undetectable		 6r2eF-5tsqA:
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 ILE A  79
ASP A 169
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.78A 6r2eF-6cdzA:
37.1		 6r2eF-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 143
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)
 0.95A 6r2eF-6cdzA:
37.1		 6r2eF-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.
6f8y THREONYLCARBAMOYL-AM
P SYNTHASE

(Pyrococcus
abyssi) 		no annotation 5 ILE A 169
LEU A 131
LEU A  39
GLY A  38
ALA A  41
 None
None
None
THR  A 401 (-3.4A)
None
 1.12A 6r2eF-6f8yA:
undetectable		 6r2eF-6f8yA:
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 5 PHE A 265
ILE A  99
LEU A 130
GLY A 136
ALA A 446
 None
 1.24A 6r2eF-6frlA:
undetectable		 6r2eF-6frlA:
undetectable