SIMILAR PATTERNS OF AMINO ACIDS FOR 4LG1_A_SAMA301_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.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 306
GLY A 249
LEU A  90
ALA A 307
TYR A  54
 None
 1.05A 4lg1A-1bucA:
undetectable		 4lg1A-1bucA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 ALA A  35
GLY A  59
ASP A  83
LEU A  84
LEU A  85
 SAM  A 301 (-3.3A)
SAM  A 301 (-3.6A)
SAM  A 301 (-2.8A)
SAM  A 301 (-4.2A)
SAM  A 301 ( 4.2A)
 0.65A 4lg1A-1eizA:
10.5		 4lg1A-1eizA:
23.81
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.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 217
GLY A 219
ASP A 240
LEU A 241
ALA A 275
 SAM  A1699 (-3.6A)
None
SAM  A1699 (-2.9A)
SAM  A1699 (-4.2A)
SAM  A1699 (-3.5A)
 1.12A 4lg1A-1fpqA:
11.7		 4lg1A-1fpqA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 4lg1A-1h0pA:
undetectable		 4lg1A-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
 0.99A 4lg1A-1jyeA:
undetectable		 4lg1A-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
 1.08A 4lg1A-1mf1A:
2.2		 4lg1A-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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT

(Pseudomonas
putida) 		PF00676
(E1_dh)
PF12573
(OxoDH_E1alpha_N) 		5 GLY A 212
GLY A 214
ASP A 213
ALA A 185
TYR A 133
 TDP  A 500 (-3.4A)
TDP  A 500 (-3.5A)
MG  A 501 ( 2.9A)
None
TDP  A 500 (-4.6A)
 0.92A 4lg1A-1qs0A:
undetectable		 4lg1A-1qs0A:
21.89
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.
1umb 2-OXO ACID
DEHYDROGENASE ALPHA
SUBUNIT

(Thermus
thermophilus) 		PF00676
(E1_dh) 		5 GLY A 174
GLY A 176
ASP A 175
ALA A 147
TYR A  95
 TDP  A1402 (-3.2A)
TDP  A1402 (-3.5A)
MG  A1401 ( 2.6A)
None
TDP  A1402 (-4.3A)
 1.06A 4lg1A-1umbA:
undetectable		 4lg1A-1umbA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wcx UROPORPHYRINOGEN III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		5 ALA A 101
GLY A 116
GLY A 118
ASP A 117
ALA A  96
 None
 0.95A 4lg1A-1wcxA:
2.6		 4lg1A-1wcxA:
22.15
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
 1.06A 4lg1A-1wk2A:
undetectable		 4lg1A-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
 1.07A 4lg1A-2a4kA:
6.9		 4lg1A-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
 1.03A 4lg1A-2a8iA:
undetectable		 4lg1A-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.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Homo sapiens) 		PF00149
(Metallophos) 		5 ALA X 272
GLY X  11
GLY X 238
ASP X  12
ALA X   9
 None
None
None
FE2  X1305 (-3.1A)
None
 0.95A 4lg1A-2bq8X:
undetectable		 4lg1A-2bq8X:
20.27
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.
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
 1.11A 4lg1A-2e9fA:
undetectable		 4lg1A-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.
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 4lg1A-2o3cA:
3.4		 4lg1A-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.
2p1n TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana) 		PF12937
(F-box-like) 		5 TRP B  96
GLY B  90
ASP B 568
TRP B  89
TYR B 559
 None
 1.08A 4lg1A-2p1nB:
undetectable		 4lg1A-2p1nB:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.11A 4lg1A-2pg0A:
undetectable		 4lg1A-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.
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
 1.10A 4lg1A-2v40A:
2.2		 4lg1A-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 4lg1A-2wu5A:
undetectable		 4lg1A-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.
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 4lg1A-2y3sA:
undetectable		 4lg1A-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
 1.01A 4lg1A-2yzwA:
undetectable		 4lg1A-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
 1.09A 4lg1A-2zf5O:
undetectable		 4lg1A-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.
2zqq METHYLGLUTACONYL-COA
HYDRATASE

(Homo sapiens) 		PF00378
(ECH_1) 		5 ALA A 267
GLY A 181
LEU A 182
ALA A 178
GLU A 189
 None
 1.07A 4lg1A-2zqqA:
undetectable		 4lg1A-2zqqA:
23.49
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.
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
 1.11A 4lg1A-3a45A:
undetectable		 4lg1A-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 4lg1A-3a6pA:
undetectable		 4lg1A-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
 1.06A 4lg1A-3bijA:
undetectable		 4lg1A-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.
3bzb UNCHARACTERIZED
PROTEIN

(Cyanidioschyzon
merolae) 		PF10294
(Methyltransf_16) 		6 ALA A  64
GLY A  87
GLY A  89
ASP A 109
TRP A 148
ALA A 170
 None
 0.35A 4lg1A-3bzbA:
20.6		 4lg1A-3bzbA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 GLY A  53
GLY A  55
ASP A  74
LEU A  75
ALA A 113
 NHE  A 195 (-3.2A)
None
NHE  A 195 (-3.6A)
NHE  A 195 (-3.7A)
None
 0.61A 4lg1A-3cggA:
13.6		 4lg1A-3cggA:
22.94
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.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 GLY A  53
GLY A  55
ASP A  74
LEU A  79
ALA A 113
 NHE  A 195 (-3.2A)
None
NHE  A 195 (-3.6A)
None
None
 0.91A 4lg1A-3cggA:
13.6		 4lg1A-3cggA:
22.94
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.
3d8n UROPORPHYRINOGEN-III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		5 ALA A  93
GLY A 108
GLY A 110
ASP A 109
ALA A  88
 None
 0.96A 4lg1A-3d8nA:
2.6		 4lg1A-3d8nA:
22.11
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.
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
 1.04A 4lg1A-3dddA:
undetectable		 4lg1A-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.
3dmk DOWN SYNDROME CELL
ADHESION MOLECULE
(DSCAM) ISOFORM
1.30.30, N-TERMINAL
EIGHT IG DOMAINS

(Drosophila
melanogaster) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 TRP A  38
GLY A  47
ASP A  48
ALA A  45
TYR A  80
 None
 1.07A 4lg1A-3dmkA:
undetectable		 4lg1A-3dmkA:
15.25
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 GLY A 177
GLY A 179
ASP A 200
LEU A 201
ALA A 243
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-2.8A)
SAH  A 401 (-4.4A)
7NA  A 402 ( 3.7A)
 1.11A 4lg1A-3i58A:
12.6		 4lg1A-3i58A:
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.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		5 ALA A 206
GLY A 225
GLY A 227
ASP A 226
GLU A 157
 None
None
LEU  A 500 (-3.3A)
LEU  A 500 (-3.0A)
None
 0.80A 4lg1A-3ipcA:
2.3		 4lg1A-3ipcA:
22.35
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.
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
 1.08A 4lg1A-3lm2A:
undetectable		 4lg1A-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
 1.11A 4lg1A-3lv8A:
undetectable		 4lg1A-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
 1.10A 4lg1A-3n05A:
undetectable		 4lg1A-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
 1.05A 4lg1A-3n6rA:
undetectable		 4lg1A-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.
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 4lg1A-3n79A:
undetectable		 4lg1A-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.
3ogk CORONATINE-INSENSITI
VE PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 5 TRP B 103
GLY B  97
ASP B 580
TRP B  96
TYR B 571
 None
 1.00A 4lg1A-3ogkB:
2.3		 4lg1A-3ogkB:
16.92
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 ALA A  83
GLY A 120
GLY A  80
LEU A  68
ALA A 122
 None
 1.06A 4lg1A-3ooqA:
undetectable		 4lg1A-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
 1.06A 4lg1A-3pshA:
undetectable		 4lg1A-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
 1.10A 4lg1A-3ptaA:
8.2		 4lg1A-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.
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 ALA A 275
GLY A 407
LEU A 384
ALA A 278
TYR A 377
 None
 1.05A 4lg1A-3rblA:
undetectable		 4lg1A-3rblA:
18.74
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		6 ALA A 303
GLY A 145
GLY A 297
ASP A 146
LEU A  84
ALA A 169
 None
 1.02A 4lg1A-3t6sA:
undetectable		 4lg1A-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
 1.01A 4lg1A-3tb6A:
undetectable		 4lg1A-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.
3uaq LBPB B-LOBE

(Moraxella bovis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		5 ALA A 222
GLY A 213
GLY A 211
ASP A 214
GLU A 188
 None
 1.02A 4lg1A-3uaqA:
undetectable		 4lg1A-3uaqA:
18.67
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.
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
 1.08A 4lg1A-3ue3A:
undetectable		 4lg1A-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
 0.96A 4lg1A-3uowA:
undetectable		 4lg1A-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
 1.11A 4lg1A-3uowA:
undetectable		 4lg1A-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 4lg1A-3v8uA:
undetectable		 4lg1A-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)
 1.02A 4lg1A-3vteA:
undetectable		 4lg1A-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
 1.08A 4lg1A-4fn4A:
7.6		 4lg1A-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.
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
 1.07A 4lg1A-4h1sA:
undetectable		 4lg1A-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.
4ha4 BETA-GALACTOSIDASE

(Acidilobus
saccharovorans) 		PF00232
(Glyco_hydro_1) 		5 ALA A 172
ASP A  33
LEU A 155
TRP A  37
ALA A 164
 None
 1.10A 4lg1A-4ha4A:
undetectable		 4lg1A-4ha4A:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 ALA A  22
GLY A  14
GLY A  16
ASP A  38
LEU A  43
 None
NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
 1.06A 4lg1A-4ituA:
7.4		 4lg1A-4ituA:
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 ALA A  24
GLY A  14
GLY A  16
ASP A  38
LEU A  43
 None
NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
 1.07A 4lg1A-4ituA:
7.4		 4lg1A-4ituA:
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 ALA A 475
ASP A 393
LEU A 972
ALA A 471
TYR A 447
 None
 1.06A 4lg1A-4k0eA:
undetectable		 4lg1A-4k0eA:
13.09
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 ALA A 475
GLY A 395
ASP A 393
LEU A 972
TYR A 447
 None
 1.03A 4lg1A-4k0eA:
undetectable		 4lg1A-4k0eA:
13.09
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.
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
 1.08A 4lg1A-4k22A:
3.2		 4lg1A-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.
4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE

(Escherichia
coli) 		PF13489
(Methyltransf_23) 		5 GLY A  66
GLY A  87
ASP A  85
ALA A  24
GLU A 130
 SAH  A 301 (-3.2A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-2.9A)
None
None
 1.07A 4lg1A-4kdrA:
13.6		 4lg1A-4kdrA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 4lg1A-4kzkA:
undetectable		 4lg1A-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)
 1.41A 4lg1A-4lecA:
25.1		 4lg1A-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) 		8 TRP A  47
ALA A  50
GLY A  73
GLY A  75
ASP A  94
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 (-2.9A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.4A)
 0.32A 4lg1A-4lecA:
25.1		 4lg1A-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) 		6 GLY A  75
ASP A  96
LEU A  97
LEU A 100
TRP A 126
TYR A 148
 SAM  A 301 (-3.5A)
SAM  A 301 (-2.9A)
SAM  A 301 (-4.4A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.6A)
 1.09A 4lg1A-4lg1A:
42.9		 4lg1A-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) 		8 TRP A  43
ALA A  45
GLY A  75
LEU A  97
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)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 4.8A)
 1.34A 4lg1A-4lg1A:
42.9		 4lg1A-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
ASP A  96
LEU A  97
LEU A 100
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 (-2.9A)
SAM  A 301 (-4.4A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 4.8A)
 0.02A 4lg1A-4lg1A:
42.9		 4lg1A-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) 		5 GLY A 120
ASP A 141
LEU A 142
TRP A 172
TYR A 197
 SAH  A1001 (-3.6A)
SAH  A1001 (-2.8A)
SAH  A1001 (-4.2A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.8A)
 1.06A 4lg1A-4mtlA:
24.9		 4lg1A-4mtlA:
27.48
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.
4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C

(Homo sapiens) 		PF10294
(Methyltransf_16) 		8 TRP A  92
ALA A  95
GLY A 120
GLY A 122
ASP A 141
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 (-2.8A)
SAH  A1001 (-4.2A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.8A)
 0.30A 4lg1A-4mtlA:
24.9		 4lg1A-4mtlA:
27.48
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 ALA A 121
GLY A  15
GLY A  12
ASP A 164
ALA A  19
 None
 1.09A 4lg1A-4n9xA:
3.4		 4lg1A-4n9xA:
19.90
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.
4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 GLY A 154
GLY A 156
ASP A 178
TRP A 212
ALA A 231
 SAH  A 401 (-3.7A)
SAH  A 401 ( 3.3A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.3A)
SAH  A 401 (-3.6A)
 0.24A 4lg1A-4pwyA:
20.2		 4lg1A-4pwyA:
25.55
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) 		9 TRP A  57
ALA A  60
GLY A  83
GLY A  85
ASP A 104
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 (-2.8A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.4A)
 0.43A 4lg1A-4qpnA:
25.8		 4lg1A-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
ASP A 217
GLU A 269
 SAM  A 401 (-3.5A)
SAM  A 401 (-3.0A)
SAM  A 401 (-4.2A)
SAM  A 401 (-3.0A)
SAM  A 401 (-4.0A)
 1.09A 4lg1A-4rfqA:
17.8		 4lg1A-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
ASP A 217
TYR A 297
 SAM  A 401 (-3.5A)
SAM  A 401 (-3.0A)
SAM  A 401 (-4.2A)
SAM  A 401 (-3.0A)
None
 0.73A 4lg1A-4rfqA:
17.8		 4lg1A-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
 0.68A 4lg1A-4rfqA:
17.8		 4lg1A-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.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 GLY A 176
GLY A 201
ASP A 175
ALA A 228
GLU A  32
 PO4  A 301 (-3.4A)
PO4  A 301 (-3.6A)
PO4  A 301 (-3.4A)
None
None
 0.80A 4lg1A-4u28A:
undetectable		 4lg1A-4u28A:
21.94
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.
4x9s PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sp. Mg1) 		PF00977
(His_biosynth) 		5 GLY A 174
GLY A 199
ASP A 173
ALA A 226
GLU A  30
 SO4  A 303 (-3.5A)
SO4  A 303 ( 3.7A)
SO4  A 303 (-3.5A)
None
None
 0.84A 4lg1A-4x9sA:
undetectable		 4lg1A-4x9sA:
22.79
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.
4xz6 GLYCINE
BETAINE/PROLINE ABC
TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF04069
(OpuAC) 		5 GLY A 173
ASP A 172
LEU A 178
TRP A 177
ALA A 202
 None
None
None
TMO  A 401 (-3.7A)
None
 1.09A 4lg1A-4xz6A:
undetectable		 4lg1A-4xz6A:
20.87
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.
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
 1.00A 4lg1A-4ztkA:
undetectable		 4lg1A-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
 0.93A 4lg1A-5bulA:
undetectable		 4lg1A-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.
5e02 FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		5 GLY A 579
GLY A 587
ASP A 584
LEU A 583
ALA A 575
 None
 0.94A 4lg1A-5e02A:
2.3		 4lg1A-5e02A:
11.70
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.
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
 1.04A 4lg1A-5elpC:
undetectable		 4lg1A-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.
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 4lg1A-5fi5A:
undetectable		 4lg1A-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.
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)
 1.01A 4lg1A-5g6rA:
5.7		 4lg1A-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.
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
 1.04A 4lg1A-5gutA:
8.9		 4lg1A-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 4lg1A-5h3kA:
undetectable		 4lg1A-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 4lg1A-5h7wA:
undetectable		 4lg1A-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.
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
 1.10A 4lg1A-5kz9A:
undetectable		 4lg1A-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
 1.02A 4lg1A-5kzaA:
undetectable		 4lg1A-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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		5 GLY A1992
GLY A1994
ASP A2019
LEU A2020
GLU A2046
 SAH  A2201 (-3.2A)
SAH  A2201 (-3.0A)
SAH  A2201 (-2.0A)
SAH  A2201 (-3.7A)
SAH  A2201 ( 4.5A)
 1.02A 4lg1A-5mptA:
12.1		 4lg1A-5mptA:
21.41
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.
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
 1.48A 4lg1A-5nx7A:
undetectable		 4lg1A-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.
5o9h C5A ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1

(Homo sapiens) 		no annotation 5 ALA A  66
LEU A 127
LEU A 126
ALA A  72
TYR A 300
 OLA  A 407 ( 4.3A)
None
None
None
None
 1.06A 4lg1A-5o9hA:
undetectable		 4lg1A-5o9hA:
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.
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)
 0.99A 4lg1A-5ojlA:
4.5		 4lg1A-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.
5thz CURJ

(Moorea
producens) 		no annotation 5 GLY B 205
GLY B 207
ASP B 230
ALA B 276
GLU B 257
 SAH  B 501 (-3.5A)
SAH  B 501 (-3.3A)
SAH  B 501 (-2.7A)
SAH  B 501 (-3.6A)
SAH  B 501 ( 4.5A)
 0.90A 4lg1A-5thzB:
12.2		 4lg1A-5thzB:
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.
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
 0.93A 4lg1A-5unnA:
4.7		 4lg1A-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.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		5 ALA A 274
GLY A  13
GLY A 240
ASP A  14
ALA A  11
 None
None
None
FE  A 402 ( 3.1A)
None
 0.93A 4lg1A-5uq6A:
undetectable		 4lg1A-5uq6A:
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 ALA A  41
GLY A 313
GLY A 310
ALA A  42
GLU A 322
 None
 1.06A 4lg1A-5x4jA:
undetectable		 4lg1A-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.
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)
 1.08A 4lg1A-5ygrA:
undetectable		 4lg1A-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.
6b2y SOLUTE-BINDING
PERIPLASMIC PROTEIN
OF IRON/SIDEROPHORE
ABC TRANSPORTER

(Yersinia pestis) 		no annotation 5 GLY A 202
GLY A 199
ASP A 203
LEU A 131
ALA A 214
 None
None
None
NA  A 402 ( 4.8A)
None
 1.05A 4lg1A-6b2yA:
2.2		 4lg1A-6b2yA:
22.13
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.
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
 1.05A 4lg1A-6c1qB:
undetectable		 4lg1A-6c1qB:
undetectable