SIMILAR PATTERNS OF AMINO ACIDS FOR 1B02_A_C2FA281

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.
1bo4 PROTEIN (SERRATIA
MARCESCENS
AMINOGLYCOSIDE-3-N-A
CETYLTRANSFERASE)

(Serratia
marcescens) 		PF00583
(Acetyltransf_1) 		5 ALA A 136
ILE A  77
LEU A 111
LEU A 129
ALA A  81
 None
None
COA  A 300 ( 3.9A)
None
None
 1.11A 1b02A-1bo4A:
0.0		 1b02A-1bo4A:
20.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ALA A  64
ASP A 184
LEU A 187
GLY A 188
TYR A 224
 None
 0.78A 1b02A-1bsfA:
40.7		 1b02A-1bsfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ALA A  64
LEU A 187
GLY A 188
TYR A 224
ALA A 278
 None
 1.07A 1b02A-1bsfA:
40.7		 1b02A-1bsfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ALA A  64
THR A  67
ASP A 184
GLY A 188
TYR A 224
 None
 0.79A 1b02A-1bsfA:
40.7		 1b02A-1bsfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ALA A  64
THR A  67
GLY A 188
TYR A 224
ALA A 278
 None
 1.00A 1b02A-1bsfA:
40.7		 1b02A-1bsfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ALA A  64
THR A  67
ILE A  93
TRP A  97
LEU A 158
 None
 0.99A 1b02A-1bsfA:
40.7		 1b02A-1bsfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ALA A  64
THR A  67
ILE A  93
TYR A 224
ALA A 278
 None
 0.97A 1b02A-1bsfA:
40.7		 1b02A-1bsfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 THR A  67
ILE A  93
TRP A  94
TRP A  97
LEU A 158
 None
 1.04A 1b02A-1bsfA:
40.7		 1b02A-1bsfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		7 ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.65A 1b02A-1ci7A:
33.6		 1b02A-1ci7A:
34.19
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.
1dm1 MYOGLOBIN

(Aplysia
limacina) 		PF00042
(Globin) 		5 ALA A 143
LEU A  71
LEU A 136
GLY A 135
ALA A  78
 None
HEM  A 148 ( 4.4A)
None
None
None
 1.00A 1b02A-1dm1A:
undetectable		 1b02A-1dm1A:
20.15
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.
1fw1 GLUTATHIONE
TRANSFERASE ZETA

(Homo sapiens) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		5 ALA A 150
THR A 149
ILE A 102
LEU A  73
LEU A 166
 None
 1.09A 1b02A-1fw1A:
undetectable		 1b02A-1fw1A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		8 ILE A 108
TRP A 109
LEU A 192
ASP A 218
LEU A 221
GLY A 222
TYR A 258
ALA A 312
 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 ( 4.4A)
D16  A 414 (-3.6A)
 0.67A 1b02A-1hvyA:
34.9		 1b02A-1hvyA:
37.46
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
LEU C 487
ASP C 513
GLY C 517
TYR C 553
 None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 1.04A 1b02A-1j3jC:
32.5		 1b02A-1j3jC:
35.10
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 487
ASP C 513
LEU C 516
GLY C 517
TYR C 553
 None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.82A 1b02A-1j3jC:
32.5		 1b02A-1j3jC:
35.10
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.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		5 ALA A 559
THR A 583
LEU A 183
ASP A 551
LEU A 552
 None
 1.08A 1b02A-1jqkA:
0.0		 1b02A-1jqkA:
17.88
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ALA A 442
ILE A 606
LEU A 621
LEU A 608
GLY A 422
 None
 0.90A 1b02A-1mz5A:
0.0		 1b02A-1mz5A:
17.55
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.
1s7j PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF FAMILY

(Enterococcus
faecalis) 		PF02567
(PhzC-PhzF) 		5 ALA A  48
THR A  78
LEU A 235
ASP A 200
ALA A 206
 None
 1.09A 1b02A-1s7jA:
0.0		 1b02A-1s7jA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		6 ALA A  51
LEU A 153
ASP A 179
LEU A 182
GLY A 183
TYR A 219
 None
 1.27A 1b02A-1tisA:
28.1		 1b02A-1tisA:
35.53
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 340
THR A 339
LEU A 663
GLY A 666
ALA A 602
 None
 1.10A 1b02A-1ulvA:
undetectable		 1b02A-1ulvA:
13.26
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.
1x0a MALATE/L-LACTATE
DEHYDROGENASE FAMILY
PROTEIN

(Thermus
thermophilus) 		PF02615
(Ldh_2) 		5 ALA A  89
TRP A 134
ASP A 172
GLY A 120
ALA A 174
 None
None
NA  A 403 (-4.6A)
None
FMT  A 401 (-3.7A)
 1.06A 1b02A-1x0aA:
undetectable		 1b02A-1x0aA:
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.
1xhk PUTATIVE PROTEASE LA
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF05362
(Lon_C) 		5 ALA A 610
ILE A 607
GLY A 576
TYR A 543
ALA A 466
 None
 1.13A 1b02A-1xhkA:
undetectable		 1b02A-1xhkA:
22.42
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.
1xup GLYCEROL KINASE

(Enterococcus
casseliflavus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA O 101
ILE O 166
GLY O 164
TYR O 193
ALA O 187
 None
 1.09A 1b02A-1xupO:
undetectable		 1b02A-1xupO:
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.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		5 THR A  96
ILE A 154
LEU A 108
GLY A 107
ALA A  66
 None
 1.04A 1b02A-1zz3A:
undetectable		 1b02A-1zz3A:
20.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		7 ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.43A 1b02A-2aazA:
undetectable		 1b02A-2aazA:
34.46
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.
2axq SACCHAROPINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 ALA A 402
THR A 403
ILE A  72
LEU A  42
GLY A 396
 None
 1.05A 1b02A-2axqA:
undetectable		 1b02A-2axqA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ay9 AROMATIC AMINO ACID
AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00155
(Aminotran_1_2) 		5 ALA A 237
THR A 240
ILE A 252
GLY A  84
ALA A 104
 None
 0.84A 1b02A-2ay9A:
undetectable		 1b02A-2ay9A:
21.81
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.
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
 1.07A 1b02A-2c3oA:
undetectable		 1b02A-2c3oA:
12.83
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.
2cz2 MALEYLACETOACETATE
ISOMERASE

(Mus musculus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ALA A 150
THR A 149
ILE A 102
LEU A  73
LEU A 166
 None
 1.06A 1b02A-2cz2A:
undetectable		 1b02A-2cz2A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.74A 1b02A-2h2qA:
30.7		 1b02A-2h2qA:
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.
2ock VALACYCLOVIR
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 ALA A 132
LEU A  67
LEU A  49
GLY A 120
ALA A  76
 None
 1.01A 1b02A-2ockA:
undetectable		 1b02A-2ockA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A 287
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
TYR A 466
ALA A 520
 CB3  A 604 ( 3.2A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.49A 1b02A-2oipA:
34.7		 1b02A-2oipA:
25.38
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
TYR A 261
 THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.59A 1b02A-2tddA:
31.0		 1b02A-2tddA:
33.84
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.
2vjh PHYCOERYTHRIN BETA
SUBUNIT

(Gloeobacter
violaceus) 		PF00502
(Phycobilisome) 		5 ALA B 140
LEU B 105
ASP B 170
GLY B 166
ALA B 173
 PUB  B1050 ( 4.0A)
None
None
None
None
 1.10A 1b02A-2vjhB:
undetectable		 1b02A-2vjhB:
20.29
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.
2w4i GLUTAMATE RACEMASE

(Helicobacter
pylori) 		PF01177
(Asp_Glu_race) 		5 ILE A 214
LEU A  66
ASP A   7
GLY A  12
ALA A  73
 None
None
DGL  A1256 (-3.5A)
None
None
 1.05A 1b02A-2w4iA:
undetectable		 1b02A-2w4iA:
24.07
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.
2zci PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Corynebacterium
glutamicum) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ALA A 291
LEU A 301
LEU A 252
GLY A 295
ALA A 269
 None
 1.04A 1b02A-2zciA:
undetectable		 1b02A-2zciA:
19.30
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.
3a14 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Thermotoga
maritima) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ALA A 364
THR A 337
ILE A 334
GLY A 329
ALA A 201
 None
 0.94A 1b02A-3a14A:
undetectable		 1b02A-3a14A:
21.84
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.
3bf0 PROTEASE 4

(Escherichia
coli) 		PF01343
(Peptidase_S49) 		5 ALA A 495
ILE A 421
LEU A 526
LEU A 522
GLY A 521
 None
 0.96A 1b02A-3bf0A:
undetectable		 1b02A-3bf0A:
18.60
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.
3buj CALO2

(Micromonospora
echinospora) 		PF00067
(p450) 		5 ALA A 138
ILE A 110
LEU A 145
GLY A 144
ALA A 102
 None
 1.13A 1b02A-3bujA:
undetectable		 1b02A-3bujA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF07517
(SecA_DEAD) 		5 ALA A 498
THR A 446
LEU A 423
LEU A 554
GLY A 553
 None
 1.12A 1b02A-3bxzA:
undetectable		 1b02A-3bxzA:
22.34
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
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
 0.66A 1b02A-3ix6A:
30.0		 1b02A-3ix6A:
33.79
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A 278
ILE A 306
TRP A 307
LEU A 390
ASP A 416
LEU A 419
GLY A 420
TYR A 456
 None
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.60A 1b02A-3kjrA:
34.9		 1b02A-3kjrA:
24.22
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.
3kvs C-PHYCOCYANIN BETA
CHAIN

(Galdieria
sulphuraria) 		PF00502
(Phycobilisome) 		5 ALA B 140
LEU B 105
ASP B 165
GLY B 161
ALA B 168
 None
 1.11A 1b02A-3kvsB:
undetectable		 1b02A-3kvsB:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.06A 1b02A-3mn1A:
undetectable		 1b02A-3mn1A:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3no4 CREATININE
AMIDOHYDROLASE

(Nostoc
punctiforme) 		PF02633
(Creatininase) 		5 ILE A 114
LEU A  85
ASP A  40
GLY A 109
ALA A  68
 None
None
NI  A 300 (-2.4A)
None
None
 1.02A 1b02A-3no4A:
undetectable		 1b02A-3no4A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 ALA A 223
THR A 256
ILE A 260
ASP A 245
LEU A 241
GLY A 248
 None
 1.45A 1b02A-3nzgA:
undetectable		 1b02A-3nzgA:
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ALA A 483
LEU A 153
ASP A 176
LEU A 180
GLY A 181
 None
 1.08A 1b02A-3popA:
undetectable		 1b02A-3popA:
18.02
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.
3qyj ALR0039 PROTEIN

(Nostoc sp. PCC
7120) 		PF00561
(Abhydrolase_1) 		5 ALA A 114
LEU A  48
LEU A  31
GLY A 102
ALA A  56
 None
 1.07A 1b02A-3qyjA:
undetectable		 1b02A-3qyjA:
20.94
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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 204
ASP A 304
GLY A 303
TYR A 220
ALA A 326
 None
 1.08A 1b02A-3u0fA:
undetectable		 1b02A-3u0fA:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 403
LEU A 487
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 1.04A 1b02A-3um6A:
32.6		 1b02A-3um6A:
21.18
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LEU A 487
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.75A 1b02A-3um6A:
32.6		 1b02A-3um6A:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		6 ALA A  51
LEU A 189
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.79A 1b02A-3v8hA:
30.9		 1b02A-3v8hA:
30.18
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ALA A 244
THR A 245
ASP A 234
LEU A 237
GLY A 238
 None
 1.09A 1b02A-3viuA:
undetectable		 1b02A-3viuA:
17.10
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.
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
 1.05A 1b02A-3wtbA:
undetectable		 1b02A-3wtbA:
20.96
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.
4b9a PROBABLE EPOXIDE
HYDROLASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 ALA A 141
ILE A 257
TRP A 258
LEU A 235
LEU A 136
 None
 1.13A 1b02A-4b9aA:
undetectable		 1b02A-4b9aA:
21.23
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.
4cvc ALCOHOL
DEHYDROGENASE

(Pseudogluconobacter
saccharoketogenes) 		PF13360
(PQQ_2) 		5 ALA A 459
THR A 433
GLY A 380
TYR A 452
ALA A 443
 None
 1.07A 1b02A-4cvcA:
undetectable		 1b02A-4cvcA:
18.78
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 177
ASP A 196
GLY A  12
TYR A 580
ALA A 584
 None
 1.03A 1b02A-4cw4A:
undetectable		 1b02A-4cw4A:
17.86
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 198
ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.71A 1b02A-4dq1A:
31.4		 1b02A-4dq1A:
34.04
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) 		7 ILE A  79
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.48A 1b02A-4fogA:
34.1		 1b02A-4fogA:
36.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 LEU A 146
ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.86A 1b02A-4h0uA:
33.1		 1b02A-4h0uA:
39.79
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.
4heq FLAVODOXIN

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1) 		5 ALA A 139
ILE A   6
LEU A  74
GLY A  89
ALA A  47
 None
 1.09A 1b02A-4heqA:
undetectable		 1b02A-4heqA:
18.18
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.
4i4z NAPHTHOATE SYNTHASE

(Synechocystis
sp. PCC 6803) 		PF00378
(ECH_1) 		5 ALA A 136
THR A 134
LEU A  42
GLY A  62
ALA A  33
 None
None
None
None
2NE  A 301 ( 3.7A)
 1.13A 1b02A-4i4zA:
undetectable		 1b02A-4i4zA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC

(Klebsiella
pneumoniae) 		PF05138
(PaaA_PaaC) 		5 ALA C 201
LEU C  41
LEU C 144
GLY C 142
ALA C  94
 None
 1.16A 1b02A-4iitC:
undetectable		 1b02A-4iitC:
20.54
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
ASP A 220
LEU A 223
GLY A 224
TYR A 260
 D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 0.80A 1b02A-4iqqA:
31.7		 1b02A-4iqqA:
35.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 ILE A 110
LEU A 194
LEU A 223
GLY A 224
TYR A 260
 D16  A 402 (-4.0A)
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 1.08A 1b02A-4iqqA:
31.7		 1b02A-4iqqA:
35.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kbx UNCHARACTERIZED
PROTEIN YHFX

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		5 THR A 357
ILE A 354
LEU A 363
GLY A 382
ALA A  70
 None
 1.01A 1b02A-4kbxA:
undetectable		 1b02A-4kbxA:
20.88
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.
4n42 XYLANASE AND
ALPHA-AMYLASE
INHIBITOR PROTEIN
ISOFORM III

(Scadoxus
multiflorus) 		PF00704
(Glyco_hydro_18) 		5 ALA A 136
THR A 172
ASP A 161
LEU A 164
GLY A 165
 None
 1.14A 1b02A-4n42A:
undetectable		 1b02A-4n42A:
22.01
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.
4nk5 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Candidatus
Liberibacter
asiaticus) 		PF13561
(adh_short_C2) 		5 ALA A 196
THR A 194
ILE A  21
LEU A  29
GLY A  14
 NAD  A 300 (-3.1A)
NAD  A 300 (-3.0A)
NAD  A 300 (-3.5A)
None
NAD  A 300 (-3.6A)
 1.10A 1b02A-4nk5A:
undetectable		 1b02A-4nk5A:
17.67
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.
4ns1 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Porphyromonas
gingivalis) 		PF01048
(PNP_UDP_1) 		5 ALA A  41
ILE A  81
GLY A  96
TYR A 104
ALA A  70
 None
 1.10A 1b02A-4ns1A:
undetectable		 1b02A-4ns1A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 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 ALA A 237
LEU A 168
LEU A 151
GLY A 225
ALA A 183
 None
 0.98A 1b02A-4qlaA:
undetectable		 1b02A-4qlaA:
20.70
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.
4r0v FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		5 ALA A 286
LEU A 469
LEU A 198
GLY A 133
ALA A 200
 None
 1.14A 1b02A-4r0vA:
undetectable		 1b02A-4r0vA:
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.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 188
TRP A 162
LEU A 287
LEU A 157
GLY A 156
 None
 1.15A 1b02A-4rvsA:
undetectable		 1b02A-4rvsA:
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.
4xf5 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Chromohalobacter
salexigens) 		PF03480
(DctP) 		5 ALA A 227
THR A 230
ILE A 213
ASP A 155
GLY A 217
 None
None
None
2A1  A 403 (-2.8A)
None
 1.15A 1b02A-4xf5A:
undetectable		 1b02A-4xf5A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		6 ILE A  96
LEU A 180
ASP A 206
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.83A 1b02A-4xscA:
31.4		 1b02A-4xscA:
34.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		6 ILE A  96
TRP A  97
LEU A 180
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.95A 1b02A-4xscA:
31.4		 1b02A-4xscA:
34.97
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.
5b13 PHYCOERYTHRIN BETA
SUBUNIT

(Palmaria
palmata) 		PF00502
(Phycobilisome) 		5 ALA G 140
LEU G 105
ASP G 170
GLY G 166
ALA G 173
 PUB  G 203 ( 3.9A)
None
None
None
None
 1.13A 1b02A-5b13G:
undetectable		 1b02A-5b13G:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b6a PYRIDOXAL KINASE
PDXY

(Pseudomonas
aeruginosa) 		PF08543
(Phos_pyr_kin) 		5 THR A  40
ILE A  10
LEU A  75
ASP A  97
ALA A 100
 None
 1.13A 1b02A-5b6aA:
undetectable		 1b02A-5b6aA:
21.18
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.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ALA A 186
ILE A 149
ASP A 191
GLY A 192
ALA A  88
 None
 1.10A 1b02A-5fkcA:
undetectable		 1b02A-5fkcA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 THR A 529
ILE A 586
LEU A 415
GLY A 583
ALA A 412
 None
 1.11A 1b02A-5fkcA:
undetectable		 1b02A-5fkcA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli;
Escherichia
coli) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA B 235
LEU C 638
GLY C 635
TYR C 717
ALA C 703
 None
 1.13A 1b02A-5g5gB:
undetectable		 1b02A-5g5gB:
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.
5h35 MEMBRANE PROTEIN
TRIC

(Sulfolobus
solfataricus) 		PF03458
(UPF0126) 		5 ALA C 154
THR C 131
LEU C  53
LEU C 124
GLY C 123
 PX4  C 303 ( 3.9A)
PX4  C 303 ( 4.8A)
None
None
None
 1.06A 1b02A-5h35C:
undetectable		 1b02A-5h35C:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 ALA A 968
ILE A 991
LEU A 995
LEU A 920
GLY A 919
 None
 0.99A 1b02A-5ijlA:
undetectable		 1b02A-5ijlA:
13.41
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB7

(Homo sapiens) 		PF00575
(S1)
PF03876
(SHS2_Rpb7-N) 		5 ALA G  87
THR G  99
ILE G 108
LEU G 168
GLY G 169
 None
 0.85A 1b02A-5iy9G:
undetectable		 1b02A-5iy9G:
21.53
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.
5j1d PHOSPHATE BINDING
PROTEIN

(Stenotrophomonas
maltophilia) 		PF12849
(PBP_like_2) 		5 ALA A 352
ILE A  92
LEU A  65
GLY A 294
ALA A  59
 None
 1.02A 1b02A-5j1dA:
undetectable		 1b02A-5j1dA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		5 THR A 164
ILE A 161
LEU A 127
ASP A 154
GLY A 156
 None
None
None
6G2  A 901 (-3.4A)
None
 1.12A 1b02A-5j5tA:
undetectable		 1b02A-5j5tA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jzb 4,5:9,10-DISECO-3-HY
DROXY-5,9,17-TRIOXOA
NDROSTA-1(10),2-DIEN
E-4-OATE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 ALA A 124
LEU A  62
LEU A  42
GLY A 112
ALA A  70
 None
 1.09A 1b02A-5jzbA:
undetectable		 1b02A-5jzbA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 ALA A 123
LEU A 163
ASP A 113
LEU A 116
GLY A 115
 None
 1.13A 1b02A-5nbsA:
undetectable		 1b02A-5nbsA:
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.
5nfi MINOR FIMBRIUM
ANCHORING SUBUNIT
MFA2

(Porphyromonas
gingivalis) 		no annotation 5 ALA B  71
ASP B 102
LEU B 161
GLY B 103
ALA B 168
 None
 1.11A 1b02A-5nfiB:
undetectable		 1b02A-5nfiB:
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 ALA T1260
ILE T1216
LEU T1193
LEU T1214
GLY T1211
 None
 0.98A 1b02A-5ojsT:
undetectable		 1b02A-5ojsT:
5.63
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.
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
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.59A 1b02A-5t0lA:
34.7		 1b02A-5t0lA:
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.
5ti8 AMINOTRANSFERASE

(Pseudomonas sp.
M1) 		PF00202
(Aminotran_3) 		5 ILE A 338
LEU A  73
LEU A 292
GLY A 291
ALA A 330
 None
 1.10A 1b02A-5ti8A:
undetectable		 1b02A-5ti8A:
19.42
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.
5tou PHYCOCYANIN BETA-1
SUBUNIT

(Pseudanabaena
sp. lw0831) 		no annotation 5 ALA D 140
LEU D 105
ASP D 165
GLY D 161
ALA D 168
 None
 1.11A 1b02A-5touD:
undetectable		 1b02A-5touD:
19.43
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.
5vps SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
ambifaria) 		PF13561
(adh_short_C2) 		5 ALA A 254
ASP A 187
LEU A 222
GLY A 223
ALA A 192
 None
 1.08A 1b02A-5vpsA:
undetectable		 1b02A-5vpsA:
22.36
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.
5yal ESTERASE

(Streptomyces
cinnamoneus) 		no annotation 5 ALA A  11
THR A  12
LEU A 178
LEU A 115
GLY A 112
 None
 1.06A 1b02A-5yalA:
undetectable		 1b02A-5yalA:
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.
6bq9 DNA TOPOISOMERASE 4
SUBUNIT A

(Pseudomonas
putida) 		no annotation 5 THR A 185
LEU A 341
ASP A  43
GLY A  44
ALA A 162
 CL  A 502 (-4.1A)
None
None
None
None
 1.13A 1b02A-6bq9A:
undetectable		 1b02A-6bq9A:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 ALA A 378
THR A 381
LEU A 181
GLY A 148
ALA A 371
 None
 0.96A 1b02A-6c62A:
undetectable		 1b02A-6c62A:
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
TYR A 209
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.83A 1b02A-6cdzA:
34.2		 1b02A-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.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT C

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		no annotation
no annotation 		5 ALA G  93
THR G  97
ILE G  27
LEU D  40
ALA D  45
 None
 1.15A 1b02A-6cfwG:
undetectable		 1b02A-6cfwG:
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.
6dux 6-PHOSPHO-ALPHA-GLUC
OSIDASE

(Klebsiella
pneumoniae) 		no annotation 5 ALA A 418
THR A 410
TRP A 436
ASP A 427
ALA A 430
 None
 1.11A 1b02A-6duxA:
undetectable		 1b02A-6duxA:
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 ALA A 402
ILE A  41
LEU A 399
GLY A 398
ALA A 116
 None
None
SO4  A 507 ( 3.7A)
None
None
 0.98A 1b02A-6eu6A:
undetectable		 1b02A-6eu6A:
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 5 ALA A 353
ILE A 299
LEU A 328
GLY A 329
ALA A 306
 None
 0.85A 1b02A-6fuyA:
undetectable		 1b02A-6fuyA:
undetectable