SIMILAR PATTERNS OF AMINO ACIDS FOR 4LG1_B_SAMB301

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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLY A 163
GLY A 160
LEU A 192
ALA A 130
GLU A 171
 None
CA  A 449 ( 4.7A)
None
None
None
 0.97A 4lg1B-1ethA:
undetectable		 4lg1B-1ethA:
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.
1g0u PROTEASOME COMPONENT
PUP2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA D 189
GLY D  49
GLY D  39
LEU D 137
LYS D  66
 None
 1.06A 4lg1B-1g0uD:
undetectable		 4lg1B-1g0uD:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0p PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
5

(Caenorhabditis
elegans) 		PF00160
(Pro_isomerase) 		5 ALA A  57
GLY A  47
LEU A 157
TRP A 121
GLU A 200
 None
 0.86A 4lg1B-1h0pA:
undetectable		 4lg1B-1h0pA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jye LACTOSE OPERON
REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 ALA A  87
GLY A 121
GLY A  65
LEU A 114
GLU A 137
 None
 1.02A 4lg1B-1jyeA:
undetectable		 4lg1B-1jyeA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mf1 ADENYLOSUCCINATE
SYNTHETASE

(Mus musculus) 		PF00709
(Adenylsucc_synt) 		5 TRP A 341
GLY A 376
LEU A 347
LEU A 344
GLU A  44
 None
 1.09A 4lg1B-1mf1A:
undetectable		 4lg1B-1mf1A:
19.01
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.
1q8k EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2
SUBUNIT 1

(Homo sapiens) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		5 GLY A  30
LEU A  50
LEU A  47
LYS A  86
GLU A  68
 None
 1.05A 4lg1B-1q8kA:
undetectable		 4lg1B-1q8kA:
22.83
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.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli) 		PF02541
(Ppx-GppA) 		5 ALA A 190
GLY A 280
LEU A 285
ALA A 193
GLU A 163
 None
 1.12A 4lg1B-1u6zA:
undetectable		 4lg1B-1u6zA:
18.15
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.
1wk2 HYPOTHETICAL PROTEIN

(Thermus
thermophilus) 		PF04266
(ASCH) 		5 GLY A  48
GLY A  39
LEU A 102
ALA A  95
GLU A  99
 None
 1.05A 4lg1B-1wk2A:
undetectable		 4lg1B-1wk2A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 ALA A 226
GLY A 171
GLY A 130
LEU A 126
GLU A 166
 None
 1.12A 4lg1B-2a4kA:
6.9		 4lg1B-2a4kA:
23.44
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.
2a8i THREONINE ASPARTASE
1

(Homo sapiens) 		PF01112
(Asparaginase_2) 		5 ALA A  72
GLY A  42
LEU A 364
LEU A 415
ALA A  85
 None
 1.02A 4lg1B-2a8iA:
undetectable		 4lg1B-2a8iA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a8x DIHYDROLIPOYL
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 285
LYS A 289
ALA A 141
TYR A 276
GLU A 274
 None
None
FAD  A 480 (-4.6A)
FAD  A 480 (-4.4A)
None
 1.13A 4lg1B-2a8xA:
3.8		 4lg1B-2a8xA:
19.83
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.
2dvz PUTATIVE EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF03401
(TctC) 		5 GLY A 153
GLY A 150
LEU A 155
ALA A  63
TYR A 243
 None
None
GLU  A1055 (-4.1A)
None
GLU  A1055 (-4.2A)
 1.15A 4lg1B-2dvzA:
undetectable		 4lg1B-2dvzA:
23.08
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.
2e9f ARGININOSUCCINATE
LYASE

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 ALA A 378
LEU A 428
LEU A 427
ALA A 387
GLU A 412
 None
 1.14A 4lg1B-2e9fA:
undetectable		 4lg1B-2e9fA:
20.52
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.
2ffi 2-PYRONE-4,6-DICARBO
XYLIC ACID
HYDROLASE, PUTATIVE

(Pseudomonas
putida) 		PF04909
(Amidohydro_2) 		5 GLY A 105
GLY A  85
LEU A  73
LEU A  72
GLU A 100
 None
 1.13A 4lg1B-2ffiA:
undetectable		 4lg1B-2ffiA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2imh HYPOTHETICAL PROTEIN
UNP Q5LQD5_SILPO

(Ruegeria
pomeroyi) 		PF06267
(DUF1028) 		5 ALA A  85
GLY A 117
LEU A   1
LEU A 120
ALA A  41
 None
 1.12A 4lg1B-2imhA:
undetectable		 4lg1B-2imhA:
22.66
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.
2o3c APEX NUCLEASE 1

(Danio rerio) 		PF03372
(Exo_endo_phos) 		5 ALA A 194
GLY A 240
LEU A 237
LEU A 236
GLU A 247
 None
 1.04A 4lg1B-2o3cA:
3.6		 4lg1B-2o3cA:
20.39
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.
2oz8 MLL7089 PROTEIN

(Mesorhizobium
japonicum) 		PF13378
(MR_MLE_C) 		5 ALA A  78
GLY A  44
LEU A 346
LEU A  45
ALA A 112
 None
 1.13A 4lg1B-2oz8A:
undetectable		 4lg1B-2oz8A:
21.96
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.
2pa4 UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00483
(NTP_transferase) 		5 GLY A 119
LEU A 116
LEU A 239
LYS A 114
ALA A 125
 None
 1.15A 4lg1B-2pa4A:
undetectable		 4lg1B-2pa4A:
21.95
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.
2pg0 ACYL-COA
DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 253
GLY A 301
LEU A 300
ALA A 256
GLU A 339
 None
 1.09A 4lg1B-2pg0A:
undetectable		 4lg1B-2pg0A:
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.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 5 GLY A 174
GLY A 172
ALA A 229
TYR A  33
GLU A 198
 None
 1.15A 4lg1B-2q9uA:
undetectable		 4lg1B-2q9uA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rcb GLUTAMATE [NMDA]
RECEPTOR SUBUNIT 3B

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 GLY A 144
LEU A 225
LEU A 226
ALA A 246
TYR A  95
 None
None
None
None
DSN  A 901 (-3.3A)
 1.10A 4lg1B-2rcbA:
undetectable		 4lg1B-2rcbA:
23.03
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.
2v40 ADENYLOSUCCINATE
SYNTHETASE ISOZYME 2

(Homo sapiens) 		PF00709
(Adenylsucc_synt) 		5 TRP A 340
GLY A 375
LEU A 346
LEU A 343
GLU A  41
 None
 1.13A 4lg1B-2v40A:
undetectable		 4lg1B-2v40A:
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ALA A  34
GLY A  14
LEU A 200
TYR A 165
GLU A 515
 None
FAD  A 601 (-3.1A)
None
FAD  A 601 (-3.5A)
None
 1.07A 4lg1B-2wu5A:
2.7		 4lg1B-2wu5A:
17.46
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.
2y0k PYROGLUTATMATE PORIN
OPDO

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 GLY A  61
GLY A  36
LEU A  59
LEU A  38
LYS A  91
 None
 1.13A 4lg1B-2y0kA:
undetectable		 4lg1B-2y0kA:
20.55
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.
2y3s TAML

(Streptomyces
sp. 307-9) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 137
GLY A 119
LEU A 102
TYR A 444
TYR A 447
 FAD  A 600 ( 4.5A)
None
None
FAD  A 600 (-4.5A)
TIR  A 700 (-4.0A)
 1.04A 4lg1B-2y3sA:
undetectable		 4lg1B-2y3sA:
16.89
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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		5 ALA A 135
GLY A 264
GLY A  13
LEU A 269
GLU A 239
 None
 1.07A 4lg1B-2yzwA:
undetectable		 4lg1B-2yzwA:
19.61
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.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA O 242
GLY O 235
GLY O  77
ALA O 237
GLU O 173
 None
 1.11A 4lg1B-2zf5O:
undetectable		 4lg1B-2zf5O:
19.28
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.
2zyv TYROSINE-ESTER
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		5 GLY X 170
LEU X  12
LEU X  20
TYR X 139
TYR X 143
 None
 1.15A 4lg1B-2zyvX:
undetectable		 4lg1B-2zyvX:
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.
3a45 FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE

(Acanthamoeba
polyphaga
mimivirus) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH) 		5 ALA A  11
GLY A   4
GLY A  59
LEU A 171
GLU A 209
 None
 1.06A 4lg1B-3a45A:
undetectable		 4lg1B-3a45A:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		5 ALA A 226
LEU A 136
LEU A 139
ALA A 227
TYR A 234
 None
 0.86A 4lg1B-3a6pA:
undetectable		 4lg1B-3a6pA:
11.38
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.
3bij UNCHARACTERIZED
PROTEIN GSU0716

(Geobacter
sulfurreducens) 		PF00656
(Peptidase_C14) 		5 GLY A  83
GLY A  10
LEU A   9
TYR A  19
GLU A 109
 None
 1.10A 4lg1B-3bijA:
undetectable		 4lg1B-3bijA:
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.
3ddd PUTATIVE
ACETYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF00583
(Acetyltransf_1) 		5 ALA A 205
GLY A 187
LEU A 168
ALA A 199
TYR A 260
 None
 1.01A 4lg1B-3dddA:
undetectable		 4lg1B-3dddA:
21.78
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.
3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)

(Streptococcus
mutans) 		PF00215
(OMPdecase) 		5 GLY A  28
LEU A  52
LEU A  55
ALA A 206
GLU A  35
 None
None
None
None
5RP  A 501 ( 4.7A)
 1.13A 4lg1B-3exsA:
undetectable		 4lg1B-3exsA:
20.58
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.
3g33 CCND3 PROTEIN

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		5 ALA B 182
GLY B 206
LEU B 240
ALA B 211
GLU B 224
 None
 1.14A 4lg1B-3g33B:
undetectable		 4lg1B-3g33B:
21.17
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.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 ALA A 239
GLY A 210
LEU A 290
ALA A 242
GLU A 286
 NAP  A 401 (-3.3A)
NAP  A 401 (-4.2A)
None
None
None
 1.14A 4lg1B-3h7uA:
undetectable		 4lg1B-3h7uA:
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.
3i2m ORF59

(Human
gammaherpesvirus
8) 		PF04929
(Herpes_DNAp_acc) 		5 ALA X 255
GLY X  53
GLY X  56
ALA X 254
GLU X 187
 None
 0.94A 4lg1B-3i2mX:
undetectable		 4lg1B-3i2mX:
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.
3jtx AMINOTRANSFERASE

(Neisseria
meningitidis) 		PF00155
(Aminotran_1_2) 		5 GLY A  98
GLY A 254
LEU A 242
ALA A 102
GLU A  38
 LLP  A 244 ( 3.8A)
None
None
None
MES  A 400 (-4.1A)
 1.08A 4lg1B-3jtxA:
undetectable		 4lg1B-3jtxA:
19.25
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.
3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		5 ALA A 251
LEU A  17
LYS A 370
ALA A 269
GLU A 366
 None
 1.11A 4lg1B-3khjA:
undetectable		 4lg1B-3khjA:
21.95
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.
3l6d PUTATIVE
OXIDOREDUCTASE

(Pseudomonas
putida) 		PF03446
(NAD_binding_2) 		5 ALA A  45
GLY A  18
GLY A  16
LEU A  74
LEU A  73
 None
 1.09A 4lg1B-3l6dA:
4.7		 4lg1B-3l6dA:
22.40
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		5 ALA B 407
GLY B 223
GLY B 412
ALA B 221
GLU B 528
 None
 1.13A 4lg1B-3l91B:
undetectable		 4lg1B-3l91B:
16.95
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.
3lm2 PUTATIVE KINASE

(Agrobacterium
fabrum) 		PF00480
(ROK) 		5 ALA A 104
GLY A 123
GLY A 117
LEU A 118
ALA A 125
 None
EDO  A 227 ( 4.8A)
EDO  A 227 (-3.6A)
None
None
 1.09A 4lg1B-3lm2A:
undetectable		 4lg1B-3lm2A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lv8 THYMIDYLATE KINASE

(Vibrio cholerae) 		PF02223
(Thymidylate_kin) 		5 ALA A 188
GLY A  13
GLY A 144
LEU A 145
ALA A 187
 None
ADP  A 213 (-3.4A)
None
None
None
 1.14A 4lg1B-3lv8A:
undetectable		 4lg1B-3lv8A:
23.64
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 ALA A 174
GLY A 180
LEU A   1
LEU A 258
ALA A 177
 None
 1.14A 4lg1B-3n05A:
undetectable		 4lg1B-3n05A:
18.20
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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A 462
LEU A 482
LEU A 485
ALA A 465
GLU A 474
 None
 1.00A 4lg1B-3n6rA:
undetectable		 4lg1B-3n6rA:
15.48
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 ALA A 319
GLY A 269
GLY A 302
LYS A 237
ALA A 288
 None
 1.15A 4lg1B-3n6zA:
undetectable		 4lg1B-3n6zA:
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.
3n79 PDUT

(Salmonella
enterica) 		PF00936
(BMC) 		6 ALA A  27
GLY A   6
GLY A  47
LEU A  32
ALA A  56
GLU A   9
 None
 1.43A 4lg1B-3n79A:
undetectable		 4lg1B-3n79A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 ALA A  83
GLY A 120
GLY A  80
LEU A  68
ALA A 122
 None
 1.03A 4lg1B-3ooqA:
undetectable		 4lg1B-3ooqA:
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.
3psh PROTEIN HI_1472

(Haemophilus
influenzae) 		PF01497
(Peripla_BP_2) 		5 ALA A 185
GLY A 310
ALA A 308
TYR A 336
TYR A 344
 None
 1.05A 4lg1B-3pshA:
undetectable		 4lg1B-3pshA:
22.16
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		5 TRP A1436
ALA A1511
GLY A1537
GLY A1515
LEU A1540
 None
 1.13A 4lg1B-3ptaA:
8.1		 4lg1B-3ptaA:
12.34
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.
3s4d LACTOSE
PHOSPHORYLASE

(Cellulomonas
uda) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 619
GLY A 602
LEU A 527
ALA A 616
TYR A 744
 None
 1.13A 4lg1B-3s4dA:
undetectable		 4lg1B-3s4dA:
13.50
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 303
GLY A 145
GLY A 297
LEU A  84
ALA A 169
 None
 0.86A 4lg1B-3t6sA:
undetectable		 4lg1B-3t6sA:
20.83
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.
3tb6 ARABINOSE METABOLISM
TRANSCRIPTIONAL
REPRESSOR

(Bacillus
subtilis) 		PF13377
(Peripla_BP_3) 		5 ALA A 328
GLY A 138
GLY A  83
LEU A 132
LEU A 131
 None
 0.99A 4lg1B-3tb6A:
undetectable		 4lg1B-3tb6A:
24.84
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.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ALA A 579
GLY A 550
GLY A 524
LEU A 466
LEU A 502
 None
 1.10A 4lg1B-3ue3A:
undetectable		 4lg1B-3ue3A:
15.68
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.
3uow GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 ALA A 259
GLY A 366
LEU A 409
LEU A 368
GLU A 242
 None
 0.94A 4lg1B-3uowA:
undetectable		 4lg1B-3uowA:
17.84
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.
3uow GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 ALA A 259
GLY A 366
LEU A 409
LEU A 368
TYR A 273
 None
 1.10A 4lg1B-3uowA:
undetectable		 4lg1B-3uowA:
17.84
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.
3v8u TRANSFERRIN
BINDING-PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 GLY A 684
GLY A 657
ALA A 576
TYR A 547
GLU A 653
 None
 1.04A 4lg1B-3v8uA:
undetectable		 4lg1B-3v8uA:
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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 191
GLY A 173
LEU A 155
TYR A 481
TYR A 484
 None
None
None
FAD  A 607 (-4.4A)
FAD  A 607 (-4.7A)
 1.00A 4lg1B-3vteA:
undetectable		 4lg1B-3vteA:
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.
4fn4 SHORT CHAIN
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF13561
(adh_short_C2) 		5 ALA A 185
GLY A 164
GLY A 167
ALA A 144
TYR A 119
 None
 1.07A 4lg1B-4fn4A:
7.6		 4lg1B-4fn4A:
19.69
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.
4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A  57
GLY A 223
LEU A 247
LEU A 239
ALA A  60
 None
 1.14A 4lg1B-4fxsA:
undetectable		 4lg1B-4fxsA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 284
GLY A  59
LEU A 287
LEU A 310
TYR A 110
 None
 1.09A 4lg1B-4h1sA:
undetectable		 4lg1B-4h1sA:
19.92
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.
4k22 PROTEIN VISC

(Escherichia
coli) 		PF01494
(FAD_binding_3) 		5 ALA A  17
GLY A 288
GLY A 305
LEU A 304
TYR A 335
 None
 1.11A 4lg1B-4k22A:
3.2		 4lg1B-4k22A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 TRP A  51
ALA A  54
GLY A  36
LEU A  80
LEU A  83
 None
 0.96A 4lg1B-4kzkA:
undetectable		 4lg1B-4kzkA:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lec PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21A

(Homo sapiens) 		PF10294
(Methyltransf_16) 		6 TRP A  47
ALA A  49
GLY A  73
TRP A 125
ALA A 143
TYR A 147
 SAH  A 301 (-4.6A)
SAH  A 301 ( 4.7A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.4A)
 1.39A 4lg1B-4lecA:
25.4		 4lg1B-4lecA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lec PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21A

(Homo sapiens) 		PF10294
(Methyltransf_16) 		7 TRP A  47
ALA A  50
GLY A  73
GLY A  75
TRP A 125
ALA A 143
TYR A 147
 SAH  A 301 (-4.6A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.4A)
 0.38A 4lg1B-4lecA:
25.4		 4lg1B-4lecA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 GLY A  75
LEU A  97
LEU A 100
TRP A 126
TYR A 148
 SAM  A 301 (-3.5A)
SAM  A 301 (-4.4A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.6A)
 1.14A 4lg1B-4lg1A:
39.7		 4lg1B-4lg1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D

(Homo sapiens) 		PF10294
(Methyltransf_16) 		9 TRP A  43
ALA A  45
GLY A  75
LEU A  97
LYS A 125
TRP A 126
ALA A 143
TYR A 148
GLU A 150
 SAM  A 301 (-3.6A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.4A)
UNX  A 306 (-4.2A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 4.8A)
 1.27A 4lg1B-4lg1A:
39.7		 4lg1B-4lg1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D

(Homo sapiens) 		PF10294
(Methyltransf_16) 		11 TRP A  43
ALA A  46
GLY A  75
GLY A  77
LEU A  97
LEU A 100
LYS A 125
TRP A 126
ALA A 143
TYR A 148
GLU A 150
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.2A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.4A)
SAM  A 301 ( 4.8A)
UNX  A 306 (-4.2A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 4.8A)
 0.22A 4lg1B-4lg1A:
39.7		 4lg1B-4lg1A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C

(Homo sapiens) 		PF10294
(Methyltransf_16) 		7 TRP A  92
ALA A  95
GLY A 120
GLY A 122
LEU A 142
TRP A 172
TYR A 197
 SAH  A1001 (-4.1A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.2A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.8A)
 0.29A 4lg1B-4mtlA:
24.7		 4lg1B-4mtlA:
27.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qpn PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21B

(Homo sapiens) 		PF10294
(Methyltransf_16) 		8 TRP A  57
ALA A  60
GLY A  83
GLY A  85
LEU A 105
TRP A 133
ALA A 150
TYR A 154
 SAH  A 301 (-4.7A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.3A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.4A)
 0.46A 4lg1B-4qpnA:
25.7		 4lg1B-4qpnA:
32.52
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.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 TRP A 169
GLY A 195
GLY A 197
TRP A 270
GLU A 269
 SAM  A 401 (-3.5A)
SAM  A 401 (-3.0A)
SAM  A 401 (-4.2A)
SAM  A 401 (-3.2A)
SAM  A 401 (-4.0A)
 1.12A 4lg1B-4rfqA:
17.8		 4lg1B-4rfqA:
23.68
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.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 TRP A 169
GLY A 195
GLY A 197
TRP A 270
TYR A 297
 SAM  A 401 (-3.5A)
SAM  A 401 (-3.0A)
SAM  A 401 (-4.2A)
SAM  A 401 (-3.2A)
None
 0.71A 4lg1B-4rfqA:
17.8		 4lg1B-4rfqA:
23.68
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.
4xij SHIKIMATE
5-DEHYDROGENASE

(Mycolicibacterium
fortuitum) 		PF08501
(Shikimate_dh_N) 		5 GLY A  12
GLY A  68
LEU A  51
LEU A  48
GLU A  39
 None
 0.98A 4lg1B-4xijA:
5.0		 4lg1B-4xijA:
19.41
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.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		5 ALA A 620
GLY A 585
GLY A 567
LEU A 519
LEU A 546
 None
 1.03A 4lg1B-4ztkA:
undetectable		 4lg1B-4ztkA:
23.03
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.
5bul FLAVIN-DEPENDENT
HALOGENASE TRIPLE
MUTANT

(Streptomyces) 		PF04820
(Trp_halogenase) 		5 ALA A 314
GLY A  22
GLY A  18
ALA A 315
GLU A 118
 None
 0.94A 4lg1B-5bulA:
undetectable		 4lg1B-5bulA:
18.58
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.
5bz3 NA(+)/H(+)
ANTIPORTER

(Thermus
thermophilus) 		PF00999
(Na_H_Exchanger) 		5 ALA A 152
GLY A 325
GLY A 327
LEU A 374
LEU A 371
 None
 1.12A 4lg1B-5bz3A:
undetectable		 4lg1B-5bz3A:
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.
5dqs ELONGATION FACTOR
1-BETA

(Homo sapiens) 		no annotation 5 GLY D   2
GLY D  77
LEU D   6
LEU D  76
ALA D  82
 None
 1.14A 4lg1B-5dqsD:
undetectable		 4lg1B-5dqsD:
16.96
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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 5 GLY C 245
GLY C 247
LEU C  71
ALA C 362
GLU C  39
 None
 1.07A 4lg1B-5elpC:
undetectable		 4lg1B-5elpC:
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.
5f1u 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00701
(DHDPS) 		5 ALA A 225
GLY A 202
LEU A 178
LEU A 179
LYS A 174
 None
 1.10A 4lg1B-5f1uA:
undetectable		 4lg1B-5f1uA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fi5 TETRAHYDROALSTONINE
SYNTHASE

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 167
GLY A 190
GLY A 192
LEU A 188
GLU A 322
 None
 1.07A 4lg1B-5fi5A:
5.1		 4lg1B-5fi5A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fzp DISPASE
AUTOLYSIS-INDUCING
PROTEIN

(Streptomyces
mobaraensis) 		no annotation 5 ALA A 162
GLY A 190
LEU A 237
ALA A 184
TYR A 170
 None
 1.15A 4lg1B-5fzpA:
undetectable		 4lg1B-5fzpA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		5 GLY A 443
GLY A  64
LEU A  69
LEU A  66
ALA A 441
 None
 1.11A 4lg1B-5g0qA:
undetectable		 4lg1B-5g0qA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g6r IMINE REDUCTASE

(Aspergillus
oryzae) 		PF03446
(NAD_binding_2) 		5 ALA A  38
GLY A  11
GLY A   9
LEU A  67
LEU A  66
 None
NDP  A1000 (-3.3A)
NDP  A1000 (-3.5A)
NDP  A1000 (-3.8A)
NDP  A1000 (-4.4A)
 0.99A 4lg1B-5g6rA:
5.5		 4lg1B-5g6rA:
23.28
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.
5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		PF00180
(Iso_dh) 		6 GLY A  16
GLY A  14
LEU A  72
LYS A  69
ALA A 275
GLU A 260
 None
 1.40A 4lg1B-5griA:
undetectable		 4lg1B-5griA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		5 TRP A1439
ALA A1513
GLY A1539
GLY A1517
LEU A1542
 None
 1.05A 4lg1B-5gutA:
8.8		 4lg1B-5gutA:
13.31
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.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 5 ALA A 353
GLY A 502
GLY A 369
LEU A 505
LEU A 504
 None
 0.90A 4lg1B-5h3kA:
undetectable		 4lg1B-5h3kA:
14.87
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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 GLY A 284
GLY A  59
LEU A 287
LEU A 310
TYR A 110
 None
 1.07A 4lg1B-5h7wA:
undetectable		 4lg1B-5h7wA:
18.48
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.
5jjc CYSTEINE SYNTHASE

(Brucella
abortus) 		PF00291
(PALP) 		5 ALA A 181
GLY A 279
LEU A 266
LEU A 263
ALA A 180
 None
 1.14A 4lg1B-5jjcA:
undetectable		 4lg1B-5jjcA:
20.40
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.
5kz9 VIRUS MATRIX PROTEIN

(Rous sarcoma
virus) 		PF02813
(Retro_M) 		5 ALA A  11
LEU A  33
LEU A  30
TRP A  74
ALA A  80
 None
 1.06A 4lg1B-5kz9A:
undetectable		 4lg1B-5kz9A:
23.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kza VIRUS MATRIX PROTEIN

(Rous sarcoma
virus) 		PF02813
(Retro_M) 		5 ALA A  11
LEU A  33
LEU A  30
TRP A  74
ALA A  80
 None
 0.97A 4lg1B-5kzaA:
undetectable		 4lg1B-5kzaA:
18.58
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.
5m5j THIOREDOXIN
REDUCTASE

(Giardia
intestinalis) 		PF07992
(Pyr_redox_2) 		5 ALA A 302
GLY A  22
GLY A  18
LEU A  79
ALA A 303
 None
 1.14A 4lg1B-5m5jA:
3.0		 4lg1B-5m5jA:
21.50
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.
5ncc FATTY ACID
PHOTODECARBOXYLASE

(Chlorella
variabilis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 482
GLY A 455
LYS A 394
ALA A 388
GLU A 545
 None
PLM  A 702 ( 4.2A)
None
None
None
 1.00A 4lg1B-5nccA:
undetectable		 4lg1B-5nccA:
17.92
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.
5nx7 PENTALENENE SYNTHASE

(Streptomyces
clavuligerus) 		no annotation 6 ALA A  23
GLY A  55
GLY A  70
LEU A 183
LEU A 186
ALA A  52
 None
None
None
0FV  A 400 (-4.7A)
None
None
 1.47A 4lg1B-5nx7A:
undetectable		 4lg1B-5nx7A:
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.
5ojl IMINE REDUCTASE

(Aspergillus
terreus) 		no annotation 5 ALA A  43
GLY A  16
GLY A  14
LEU A  72
LEU A  71
 None
TXP  A 302 (-3.3A)
TXP  A 302 (-3.6A)
TXP  A 302 (-4.1A)
TXP  A 302 (-4.2A)
 0.98A 4lg1B-5ojlA:
4.7		 4lg1B-5ojlA:
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.
5unn NADPH-DEPENDENT
GLYOXYLATE/HYDROXYPY
RUVATE REDUCTASE

(Sinorhizobium
meliloti) 		PF02826
(2-Hacid_dh_C) 		5 ALA A 285
GLY A 233
LEU A 202
ALA A 284
GLU A 261
 None
 0.95A 4lg1B-5unnA:
4.1		 4lg1B-5unnA:
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 ALA A  41
GLY A 313
GLY A 310
ALA A  42
GLU A 322
 None
 1.07A 4lg1B-5x4jA:
undetectable		 4lg1B-5x4jA:
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.
5xhq APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00795
(CN_hydrolase) 		5 ALA A  99
GLY A  66
GLY A  62
LEU A  19
ALA A  98
 None
 1.14A 4lg1B-5xhqA:
undetectable		 4lg1B-5xhqA:
17.93
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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 GLY A 131
GLY A 129
LEU A 192
ALA A  76
TYR A 211
 LLP  A  78 ( 4.9A)
None
None
LLP  A  78 ( 4.3A)
LLP  A  78 ( 4.9A)
 1.09A 4lg1B-5ygrA:
undetectable		 4lg1B-5ygrA:
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.
6c1q SOLUBLE CYTOCHROME
B562, C5A
ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ALA B 152
LEU B 213
LEU B 212
ALA B 158
TYR B 386
 None
 1.07A 4lg1B-6c1qB:
undetectable		 4lg1B-6c1qB:
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.
6esl BACTERIAL LEUCYL
AMINOPEPTIDASE

(Legionella
pneumophila) 		no annotation 5 ALA A 368
GLY A 192
LEU A 176
ALA A 218
GLU A 150
 None
 1.13A 4lg1B-6eslA:
undetectable		 4lg1B-6eslA:
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
11

(Mus musculus) 		no annotation 5 GLY Y  66
GLY Y  28
LEU Y  27
LYS Y  20
TYR Y  89
 None
 1.09A 4lg1B-6g72Y:
undetectable		 4lg1B-6g72Y:
undetectable