SIMILAR PATTERNS OF AMINO ACIDS FOR 4LG1_C_SAMC301

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.
1e12 HALORHODOPSIN

(Halobacterium
salinarum) 		PF01036
(Bac_rhodopsin) 		5 ALA A  65
GLY A 124
LEU A 131
TRP A 183
ALA A 122
 None
 1.15A 4lg1C-1e12A:
undetectable		 4lg1C-1e12A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.63A 4lg1C-1eizA:
9.6		 4lg1C-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)
 1.14A 4lg1C-1fpqA:
11.6		 4lg1C-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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 CYH A 298
LEU A 281
LEU A 278
ALA A 170
TYR A 205
 None
 1.13A 4lg1C-1kq3A:
undetectable		 4lg1C-1kq3A:
20.53
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.
1n94 PROTEIN
FARNESYLTRANSFERASE
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 ALA B 208
GLY B 255
LEU B 307
LEU B 310
ALA B 204
 None
 1.15A 4lg1C-1n94B:
undetectable		 4lg1C-1n94B:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.96A 4lg1C-1qs0A:
undetectable		 4lg1C-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)
 1.09A 4lg1C-1umbA:
undetectable		 4lg1C-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
 0.96A 4lg1C-1wcxA:
undetectable		 4lg1C-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.
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 4lg1C-2a8iA:
undetectable		 4lg1C-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.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		5 CYH A 219
ALA A 201
GLY A 194
GLY A 192
TYR A 234
 None
None
TDP  A 601 (-3.5A)
TDP  A 601 (-3.4A)
None
 1.06A 4lg1C-2bfeA:
undetectable		 4lg1C-2bfeA:
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.
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 4lg1C-2bq8X:
undetectable		 4lg1C-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.
2ce9 TRANSDUCIN-LIKE
ENHANCER PROTEIN 1

(Homo sapiens) 		PF00400
(WD40) 		5 CYH A 577
ALA A 489
GLY A 548
LEU A 570
LEU A 554
 None
 1.15A 4lg1C-2ce9A:
undetectable		 4lg1C-2ce9A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A 159
GLY A 312
GLY A 153
LEU A 102
ALA A 158
 None
None
SO4  A 406 (-3.4A)
None
None
 1.12A 4lg1C-2g17A:
undetectable		 4lg1C-2g17A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gm8 TENA HOMOLOG/THI-4
THIAMINASE

(Pyrobaculum
aerophilum) 		PF03070
(TENA_THI-4) 		5 GLY A  80
GLY A  76
LEU A  47
TYR A 169
TYR A 164
 None
None
HMH  A 301 (-4.6A)
None
None
 1.16A 4lg1C-2gm8A:
undetectable		 4lg1C-2gm8A:
23.33
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.
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
 1.10A 4lg1C-2imhA:
undetectable		 4lg1C-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.
2opg MULTIPLE PDZ DOMAIN
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A1693
GLY A1652
GLY A1645
LEU A1650
ALA A1688
 None
 1.09A 4lg1C-2opgA:
undetectable		 4lg1C-2opgA:
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.
2ozg GCN5-RELATED
N-ACETYLTRANSFERASE

(Trichormus
variabilis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ALA A  95
GLY A  85
GLY A  60
LEU A  22
ALA A  96
 COA  A 500 (-3.9A)
COA  A 500 (-3.5A)
None
None
COA  A 500 (-3.3A)
 1.13A 4lg1C-2ozgA:
undetectable		 4lg1C-2ozgA:
18.94
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.
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
 1.11A 4lg1C-2p1nB:
undetectable		 4lg1C-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.
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)
 1.15A 4lg1C-2rcbA:
undetectable		 4lg1C-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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 ALA B 253
GLY B 411
GLY B 248
LEU B 418
TYR B 222
 None
 1.11A 4lg1C-2xdqB:
undetectable		 4lg1C-2xdqB:
18.82
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.
2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B) 		5 CYH A 102
GLY A  33
GLY A  63
LEU A  59
ALA A  35
 None
 1.09A 4lg1C-2xf4A:
undetectable		 4lg1C-2xf4A:
21.34
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.
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)
 1.05A 4lg1C-2y3sA:
undetectable		 4lg1C-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.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		5 ALA A 226
LEU A 136
LEU A 139
ALA A 227
TYR A 234
 None
 0.88A 4lg1C-3a6pA:
undetectable		 4lg1C-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.
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
 0.34A 4lg1C-3bzbA:
20.6		 4lg1C-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 4lg1C-3cggA:
13.2		 4lg1C-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
 0.97A 4lg1C-3cggA:
13.2		 4lg1C-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
 0.97A 4lg1C-3d8nA:
undetectable		 4lg1C-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
 1.03A 4lg1C-3dddA:
undetectable		 4lg1C-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.
3gcd RTX TOXIN RTXA

(Vibrio cholerae) 		PF11713
(Peptidase_C80) 		5 ALA A  47
GLY A  90
LEU A 111
LEU A 103
ALA A  48
 AZ0  A 213 (-3.8A)
None
None
None
None
 1.16A 4lg1C-3gcdA:
undetectable		 4lg1C-3gcdA:
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.
3hag CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		5 GLY A 367
GLY A 365
ASP A 352
LEU A 353
ALA A 419
 None
 1.12A 4lg1C-3hagA:
undetectable		 4lg1C-3hagA:
18.45
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.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 141
GLY A 110
GLY A 186
LEU A 338
ALA A 156
 None
 1.06A 4lg1C-3hhdA:
undetectable		 4lg1C-3hhdA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.13A 4lg1C-3i58A:
12.4		 4lg1C-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.
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 4lg1C-3lm2A:
undetectable		 4lg1C-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 4lg1C-3lv8A:
undetectable		 4lg1C-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.
3mzo LIN2634 PROTEIN

(Listeria
innocua) 		PF12917
(HD_2) 		5 ALA A  41
GLY A 123
GLY A 130
ASP A 125
ALA A  64
 None
None
None
CA  A 307 ( 4.8A)
None
 1.11A 4lg1C-3mzoA:
undetectable		 4lg1C-3mzoA:
22.71
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.
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
 1.03A 4lg1C-3ogkB:
undetectable		 4lg1C-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.
3om8 PROBABLE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 ALA A 176
GLY A  63
ASP A  58
LEU A  38
ALA A 180
 None
 1.02A 4lg1C-3om8A:
undetectable		 4lg1C-3om8A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 ALA A  83
GLY A 120
GLY A  80
LEU A  68
ALA A 122
 None
 1.07A 4lg1C-3ooqA:
undetectable		 4lg1C-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
 1.07A 4lg1C-3pshA:
undetectable		 4lg1C-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.
3pty ARABINOSYLTRANSFERAS
E C

(Mycobacterium
tuberculosis) 		PF14896
(Arabino_trans_C) 		5 GLY A 867
GLY A 778
LEU A 945
LEU A 864
ALA A 771
 None
 1.15A 4lg1C-3ptyA:
undetectable		 4lg1C-3ptyA:
21.34
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
 1.12A 4lg1C-3s4dA:
undetectable		 4lg1C-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) 		6 ALA A 303
GLY A 145
GLY A 297
ASP A 146
LEU A  84
ALA A 169
 None
 1.04A 4lg1C-3t6sA:
undetectable		 4lg1C-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
 1.00A 4lg1C-3tb6A:
undetectable		 4lg1C-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
 1.06A 4lg1C-3ue3A:
undetectable		 4lg1C-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.
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 4lg1C-3vteA:
undetectable		 4lg1C-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.
4cw5 DFNA

(Bacillus
velezensis) 		PF03060
(NMO) 		5 ALA A 548
GLY A 540
GLY A 538
LEU A 708
ALA A 545
 None
None
FMN  A1753 (-3.5A)
None
None
 1.15A 4lg1C-4cw5A:
undetectable		 4lg1C-4cw5A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 4lg1C-4fn4A:
3.9		 4lg1C-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.
4frx ANAEROBICALLY-INDUCE
D OUTER MEMBRANE
PORIN OPRE

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ALA A 154
GLY A 194
ASP A 195
ALA A 192
TYR A 318
 None
 1.13A 4lg1C-4frxA:
undetectable		 4lg1C-4frxA:
19.27
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.
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
 1.12A 4lg1C-4fxsA:
undetectable		 4lg1C-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
 1.08A 4lg1C-4h1sA:
undetectable		 4lg1C-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.
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
 1.09A 4lg1C-4ituA:
3.4		 4lg1C-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
 1.10A 4lg1C-4ituA:
3.4		 4lg1C-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.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH) 		5 ALA A  57
GLY A 223
LEU A 247
LEU A 239
ALA A  60
 None
 1.15A 4lg1C-4ix2A:
undetectable		 4lg1C-4ix2A:
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.
4jxr ACETYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF13420
(Acetyltransf_4) 		5 ALA A  58
GLY A  98
GLY A 100
LEU A 133
ALA A   3
 None
FLC  A 201 ( 4.4A)
FLC  A 201 (-3.5A)
FLC  A 201 (-4.3A)
None
 1.16A 4lg1C-4jxrA:
undetectable		 4lg1C-4jxrA:
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.
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
 1.08A 4lg1C-4k0eA:
undetectable		 4lg1C-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
 1.06A 4lg1C-4k0eA:
undetectable		 4lg1C-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
 1.06A 4lg1C-4k22A:
3.1		 4lg1C-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.
4kdx GLUTATHIONE
S-TRANSFERASE DOMAIN

(Paraburkholderia
graminis) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 GLY A  75
GLY A  79
LEU A  73
LEU A  23
ALA A  85
 None
 1.16A 4lg1C-4kdxA:
undetectable		 4lg1C-4kdxA:
19.60
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.
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
 0.94A 4lg1C-4kzkA:
undetectable		 4lg1C-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)
 1.43A 4lg1C-4lecA:
25.2		 4lg1C-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)
 0.26A 4lg1C-4lecA:
25.2		 4lg1C-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 CYH A  40
ALA A  80
GLY A  75
GLY A  77
LEU A  97
TRP A 126
 SAM  A 301 ( 4.0A)
None
SAM  A 301 (-3.5A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.4A)
SAM  A 301 (-3.4A)
 1.38A 4lg1C-4lg1A:
14.4		 4lg1C-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 CYH A  40
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
 SAM  A 301 ( 4.0A)
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)
 0.20A 4lg1C-4lg1A:
14.4		 4lg1C-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) 		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)
 1.12A 4lg1C-4lg1A:
14.4		 4lg1C-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) 		7 TRP A  43
ALA A  45
GLY A  75
LEU A  97
TRP A 126
ALA A 143
TYR A 148
 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)
 1.43A 4lg1C-4lg1A:
14.4		 4lg1C-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 4lg1C-4mtlA:
24.8		 4lg1C-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)
 0.33A 4lg1C-4mtlA:
24.8		 4lg1C-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
 1.07A 4lg1C-4n9xA:
3.4		 4lg1C-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.
4og1 ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		5 CYH A  66
ALA A  99
GLY A 122
LEU A 140
ALA A 100
 None
 1.07A 4lg1C-4og1A:
undetectable		 4lg1C-4og1A:
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.
4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 CYH A 233
ALA A 246
GLY A 179
GLY A 154
ASP A 178
 SAH  A 401 ( 3.8A)
None
SAH  A 401 (-3.3A)
SAH  A 401 (-3.7A)
SAH  A 401 (-2.8A)
 1.15A 4lg1C-4pwyA:
19.5		 4lg1C-4pwyA:
25.55
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.
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 4lg1C-4pwyA:
19.5		 4lg1C-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)
 0.45A 4lg1C-4qpnA:
25.0		 4lg1C-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.
4r7b CHOLINE KINASE

(Streptococcus
pneumoniae) 		PF01633
(Choline_kinase) 		5 CYH A 173
ALA A 209
ASP A 202
ALA A 208
TYR A 228
 None
 1.13A 4lg1C-4r7bA:
undetectable		 4lg1C-4r7bA:
22.76
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.
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
 0.82A 4lg1C-4rfqA:
17.3		 4lg1C-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
 0.76A 4lg1C-4rfqA:
17.3		 4lg1C-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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		5 CYH A 394
ALA A 413
GLY A 389
ALA A 416
TYR A 440
 None
 1.15A 4lg1C-4txkA:
undetectable		 4lg1C-4txkA:
16.23
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.
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 4lg1C-4xz6A:
undetectable		 4lg1C-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.
4z38 MLNA

(Bacillus
velezensis) 		no annotation 5 ALA A 565
GLY A 557
GLY A 555
LEU A 724
ALA A 562
 None
None
FMN  A 900 (-3.5A)
None
None
 1.14A 4lg1C-4z38A:
undetectable		 4lg1C-4z38A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zwv PUTATIVE
AMINOTRANSFERASE

(Actinomadura
melliaura) 		PF01041
(DegT_DnrJ_EryC1) 		6 ALA A  87
GLY A  54
GLY A  57
LEU A 196
LEU A 197
ALA A  83
 None
LLP  A 187 ( 3.4A)
None
None
None
LLP  A 187 ( 3.9A)
 1.43A 4lg1C-4zwvA:
undetectable		 4lg1C-4zwvA:
20.21
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 CYH A 254
ALA A 243
GLY A 336
LEU A 353
ALA A 333
 None
 1.06A 4lg1C-5ah5A:
undetectable		 4lg1C-5ah5A:
14.84
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.
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
 1.15A 4lg1C-5dqsD:
undetectable		 4lg1C-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.
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
 1.09A 4lg1C-5fzpA:
undetectable		 4lg1C-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
 1.12A 4lg1C-5g0qA:
undetectable		 4lg1C-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)
 1.03A 4lg1C-5g6rA:
5.3		 4lg1C-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
 1.03A 4lg1C-5gutA:
7.1		 4lg1C-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
 0.94A 4lg1C-5h3kA:
undetectable		 4lg1C-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
 1.08A 4lg1C-5h7wA:
undetectable		 4lg1C-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 4lg1C-5kz9A:
undetectable		 4lg1C-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
 1.01A 4lg1C-5kzaA:
undetectable		 4lg1C-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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 GLY A 906
GLY A1004
LEU A 913
LEU A 910
ALA A1009
 None
 1.13A 4lg1C-5lq3A:
undetectable		 4lg1C-5lq3A:
12.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m1m MATRIX PROTEIN 1

(Influenza C
virus) 		PF03026
(CM1) 		5 GLY A 102
GLY A 106
ASP A 103
LEU A 105
ALA A 100
 None
 1.16A 4lg1C-5m1mA:
undetectable		 4lg1C-5m1mA:
21.49
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.
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
 1.15A 4lg1C-5m5jA:
undetectable		 4lg1C-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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 ALA B 141
GLY B 110
GLY B 186
LEU B 338
ALA B 156
 None
 1.05A 4lg1C-5my0B:
undetectable		 4lg1C-5my0B:
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.
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 4lg1C-5nx7A:
undetectable		 4lg1C-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.
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
 0.94A 4lg1C-5uq6A:
undetectable		 4lg1C-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.
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 4lg1C-5xhqA:
undetectable		 4lg1C-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)
 1.15A 4lg1C-5ygrA:
undetectable		 4lg1C-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
 1.06A 4lg1C-6b2yA:
2.1		 4lg1C-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
 1.14A 4lg1C-6c1qB:
undetectable		 4lg1C-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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 ALA A 469
GLY A 578
GLY A 504
LEU A 560
ALA A 473
 None
 1.15A 4lg1C-6fikA:
undetectable		 4lg1C-6fikA:
undetectable