SIMILAR PATTERNS OF AMINO ACIDS FOR 6R2E_D_FFOD403_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.
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
 1.25A 6r2eD-1ae1A:
0.0		 6r2eD-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) 		9 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
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 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.74A 6r2eD-1ci7A:
43.4		 6r2eD-1ci7A:
55.56
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) 		9 PHE A  58
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)
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)
 0.77A 6r2eD-1ci7A:
43.4		 6r2eD-1ci7A:
55.56
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) 		9 PHE A  80
ILE A 108
TRP A 109
ASN A 112
LEU A 192
ASP A 218
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 (-3.3A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
 0.74A 6r2eD-1hvyA:
46.7		 6r2eD-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) 		9 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
 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)
 0.62A 6r2eD-1hvyA:
46.7		 6r2eD-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
ASN C 407
LEU C 487
GLY C 517
ASN C 521
 None
None
None
UMP  C 611 (-3.5A)
UMP  C 611 (-2.8A)
 1.07A 6r2eD-1j3jC:
40.3		 6r2eD-1j3jC:
49.39
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)
 0.83A 6r2eD-1j3jC:
40.3		 6r2eD-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 ILE A1220
LEU A1262
ASP A1245
GLY A1223
ASN A1247
 None
 1.46A 6r2eD-1jl5A:
0.1		 6r2eD-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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 PHE A 222
ILE A  81
ASN A 158
LEU A 189
ASP A 240
 None
GOL  A3005 ( 4.2A)
GOL  A3001 ( 3.1A)
None
GOL  A3001 ( 2.5A)
 1.30A 6r2eD-1q8fA:
0.0		 6r2eD-1q8fA:
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		5 PHE E 305
ILE E 306
LEU E   6
ASP E  32
GLY E 217
 None
None
None
HH0  E 327 (-2.7A)
HH0  E 327 (-3.5A)
 1.32A 6r2eD-1qrpE:
0.0		 6r2eD-1qrpE:
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.
1rfd FAB M82G2, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H  27
TRP H  33
ASN H  53
LEU H  98
GLY H  99
 None
 1.25A 6r2eD-1rfdH:
0.0		 6r2eD-1rfdH:
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.
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
 1.22A 6r2eD-1uuoA:
0.0		 6r2eD-1uuoA:
24.17
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)
 0.51A 6r2eD-2aazA:
undetectable		 6r2eD-2aazA:
56.34
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) 		5 PHE A 288
ILE A 316
ASN A 320
GLY A 430
ASN A 434
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.82A 6r2eD-2h2qA:
39.4		 6r2eD-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)
 0.80A 6r2eD-2h2qA:
39.4		 6r2eD-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)
 0.75A 6r2eD-2h2qA:
39.4		 6r2eD-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
 1.23A 6r2eD-2hf8A:
undetectable		 6r2eD-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.
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
 1.12A 6r2eD-2ijzA:
undetectable		 6r2eD-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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		5 PHE A 229
ILE A 230
LEU A  13
ASP A 411
GLY A 408
 None
 1.42A 6r2eD-2ijzA:
undetectable		 6r2eD-2ijzA:
21.28
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) 		9 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
 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)
 0.67A 6r2eD-2oipA:
44.4		 6r2eD-2oipA:
35.07
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)
 0.66A 6r2eD-2tddA:
34.1		 6r2eD-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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ILE M 704
LEU M 106
ASP M  90
GLY M 120
MET M  94
 None
 1.25A 6r2eD-2w4gM:
undetectable		 6r2eD-2w4gM:
17.31
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.
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
 1.36A 6r2eD-2zciA:
undetectable		 6r2eD-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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		5 ILE A 381
TRP A 378
LEU A 155
ASP A 119
GLY A 121
 None
 1.30A 6r2eD-2zu8A:
undetectable		 6r2eD-2zu8A:
20.69
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.
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
 1.30A 6r2eD-3abzA:
undetectable		 6r2eD-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 6r2eD-3afoA:
undetectable		 6r2eD-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.
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
 1.23A 6r2eD-3fz4A:
undetectable		 6r2eD-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.
3g98 ALANYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF02272
(DHHA1) 		5 PHE A 808
ILE A 826
ASN A 821
LEU A 843
GLY A 811
 None
 1.44A 6r2eD-3g98A:
undetectable		 6r2eD-3g98A:
16.77
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 6r2eD-3kgbA:
36.2		 6r2eD-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) 		9 ILE A 306
TRP A 307
ASN A 310
LEU A 390
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
None
GOL  A 516 (-4.0A)
 0.53A 6r2eD-3kjrA:
44.6		 6r2eD-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.
3l5a NADH/FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Staphylococcus
aureus) 		PF00724
(Oxidored_FMN) 		5 ILE A 215
ASN A  15
LEU A  13
ASP A 165
GLY A 166
 None
 1.30A 6r2eD-3l5aA:
undetectable		 6r2eD-3l5aA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o75 FRUCTOSE TRANSPORT
SYSTEM REPRESSOR
FRUR

(Pseudomonas
putida) 		PF00532
(Peripla_BP_1) 		5 PHE A 220
ASN A 276
LEU A 278
ASP A 256
GLY A 253
 F1X  A   1 (-3.2A)
None
None
None
None
 1.39A 6r2eD-3o75A:
undetectable		 6r2eD-3o75A:
21.70
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.
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
 1.25A 6r2eD-3op7A:
undetectable		 6r2eD-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.
3p5m ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 LEU A 225
ASP A 133
GLY A 134
ASN A  78
MET A 131
 None
 1.43A 6r2eD-3p5mA:
undetectable		 6r2eD-3p5mA:
21.10
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 PHE A 148
LEU A 202
ASP A 158
LEU A 155
GLY A 154
 None
 1.35A 6r2eD-3rj8A:
undetectable		 6r2eD-3rj8A:
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.
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)
 1.20A 6r2eD-3rwxA:
undetectable		 6r2eD-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.
3u1k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL

(Homo sapiens) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ILE A 570
LEU A 229
LEU A 563
GLY A 565
MET A 543
 None
 1.39A 6r2eD-3u1kA:
undetectable		 6r2eD-3u1kA:
21.38
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASN A 407
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)
 0.98A 6r2eD-3um6A:
40.4		 6r2eD-3um6A:
28.95
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 403
ASN A 407
LEU A 487
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.05A 6r2eD-3um6A:
40.4		 6r2eD-3um6A:
28.95
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.
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)
 0.83A 6r2eD-3um6A:
40.4		 6r2eD-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
 0.75A 6r2eD-3v8hA:
34.9		 6r2eD-3v8hA:
33.43
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
ASN A  83
LEU A 189
LEU A 220
ASN A 225
 None
None
CIT  A 400 (-4.3A)
None
None
 0.81A 6r2eD-3v8hA:
34.9		 6r2eD-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
 1.27A 6r2eD-3va8A:
undetectable		 6r2eD-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
 1.30A 6r2eD-3vdgA:
undetectable		 6r2eD-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.
3x0u UNCHARACTERIZED
PROTEIN

(Vibrio
parahaemolyticus) 		PF03945
(Endotoxin_N) 		5 ASN A  18
LEU A 154
ASP A 149
LEU A  12
GLY A 150
 None
 1.41A 6r2eD-3x0uA:
undetectable		 6r2eD-3x0uA:
21.68
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)
 0.60A 6r2eD-4fogA:
37.8		 6r2eD-4fogA:
44.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ILE A  82
ASN A 297
LEU A 231
ASP A 229
GLY A  84
 None
 1.49A 6r2eD-4hkmA:
undetectable		 6r2eD-4hkmA:
21.95
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)
 0.93A 6r2eD-4iqqA:
41.5		 6r2eD-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.
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
 1.01A 6r2eD-4k05A:
undetectable		 6r2eD-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.
4lxy WLARD, A SUGAR
3N-FORMYL
TRANSFERASE

(Campylobacter
jejuni) 		PF00551
(Formyl_trans_N) 		5 PHE A  51
LEU A  62
LEU A  76
GLY A   8
ASN A  35
 None
 1.40A 6r2eD-4lxyA:
undetectable		 6r2eD-4lxyA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		5 ILE A 209
ASN A 265
ASP A 215
LEU A 254
GLY A 212
 None
 1.42A 6r2eD-4ng3A:
undetectable		 6r2eD-4ng3A:
23.94
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.
4okm TERPENE SYNTHASE
METAL-BINDING
DOMAIN-CONTAINING
PROTEIN

(Streptomyces
pristinaespiralis) 		no annotation 5 ILE A  38
TRP A  77
ASP A  83
LEU A  43
GLY A  84
 None
None
MG  A 901 ( 4.7A)
None
None
 1.49A 6r2eD-4okmA:
undetectable		 6r2eD-4okmA:
20.76
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.
4qks DE NOVO PROTEIN
6XTRP/PV2

(synthetic
construct) 		PF00167
(FGF) 		5 ILE A 130
TRP A 132
LEU A  23
ASP A 118
GLY A 119
 None
None
None
None
SO4  A 201 (-4.8A)
 1.48A 6r2eD-4qksA:
undetectable		 6r2eD-4qksA:
19.94
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		5 ILE A2466
LEU A2290
ASP A2432
LEU A2436
GLY A2435
 None
 1.46A 6r2eD-4tvcA:
undetectable		 6r2eD-4tvcA:
14.76
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 6r2eD-4xscA:
40.2		 6r2eD-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)
 0.87A 6r2eD-4xscA:
40.2		 6r2eD-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.
4zmm DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		5 PHE A 264
ILE A 303
ASN A 336
LEU A 327
GLY A 306
 None
 1.37A 6r2eD-4zmmA:
undetectable		 6r2eD-4zmmA:
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.
4zmu DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF)
PF01590
(GAF) 		5 PHE A 264
ILE A 303
ASN A 336
LEU A 327
GLY A 306
 None
 1.39A 6r2eD-4zmuA:
undetectable		 6r2eD-4zmuA:
21.65
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.
5a0m INTRON-ENCODED
ENDONUCLEASE I-SCEI

(Saccharomyces
cerevisiae) 		PF03161
(LAGLIDADG_2) 		5 PHE A 334
ILE A 338
LEU A 462
ASP A 444
LEU A 340
 None
 1.48A 6r2eD-5a0mA:
undetectable		 6r2eD-5a0mA:
20.34
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)
 0.88A 6r2eD-5by6A:
41.5		 6r2eD-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)
 0.55A 6r2eD-5by6A:
41.5		 6r2eD-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 6r2eD-5by6A:
41.5		 6r2eD-5by6A:
61.66
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)
 0.79A 6r2eD-5h3aA:
42.2		 6r2eD-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)
 0.85A 6r2eD-5h3aA:
42.2		 6r2eD-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.
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
 1.10A 6r2eD-5hz1B:
undetectable		 6r2eD-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.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Mycobacterium
tuberculosis) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ILE A  59
LEU A 365
ASP A 352
LEU A  61
GLY A 351
 None
 1.43A 6r2eD-5i67A:
undetectable		 6r2eD-5i67A:
20.13
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.
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
 1.13A 6r2eD-5ja1A:
undetectable		 6r2eD-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 PHE B 334
LEU B 292
ASP B 344
LEU B 341
GLY B 342
 None
 1.38A 6r2eD-5khnB:
undetectable		 6r2eD-5khnB:
16.74
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.
5mu7 COATOMER SUBUNIT
BETA
COATOMER SUBUNIT
DELTA-LIKE PROTEIN

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		PF01602
(Adaptin_N)
PF01217
(Clat_adaptor_s) 		5 PHE B 113
ILE B 116
ASN B 124
LEU A 221
GLY B 120
 None
 1.47A 6r2eD-5mu7B:
undetectable		 6r2eD-5mu7B:
19.45
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) 		10 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
 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)
 0.70A 6r2eD-5t0lA:
44.9		 6r2eD-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.
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)
 1.34A 6r2eD-5tsqA:
undetectable		 6r2eD-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.
5ucy TUBULIN ALPHA CHAIN

(Tetrahymena
thermophila) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 PHE A 138
ILE A   7
LEU A 119
LEU A 154
GLY A 150
 None
 1.16A 6r2eD-5ucyA:
undetectable		 6r2eD-5ucyA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bsu XYLOGLUCAN
6-XYLOSYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 PHE A 378
ASP A 168
LEU A 171
GLY A 167
ASN A 164
 None
 1.49A 6r2eD-6bsuA:
undetectable		 6r2eD-6bsuA:
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.
6cbl NEAMINE TRANSAMINASE
NEON

(Streptomyces
fradiae) 		no annotation 5 PHE A 153
LEU A 113
LEU A 123
GLY A 149
ASN A 146
 None
 1.39A 6r2eD-6cblA:
undetectable		 6r2eD-6cblA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 1.00A 6r2eD-6cdzA:
37.3		 6r2eD-6cdzA:
undetectable