SIMILAR PATTERNS OF AMINO ACIDS FOR 3LSL_A_PZIA801

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.
1dcq PYK2-ASSOCIATED
PROTEIN BETA

(Mus musculus) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		4 ILE A 320
SER A 276
GLY A 280
ASN A 322
 None
 0.80A 3lslA-1dcqA:
undetectable
3lslD-1dcqA:
undetectable		 3lslA-1dcqA:
20.07
3lslD-1dcqA:
20.07
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.
1dcq PYK2-ASSOCIATED
PROTEIN BETA

(Mus musculus) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		4 ILE A 320
SER A 276
GLY A 280
ASN A 326
 None
 0.92A 3lslA-1dcqA:
undetectable
3lslD-1dcqA:
undetectable		 3lslA-1dcqA:
20.07
3lslD-1dcqA:
20.07
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 352
SER A 171
GLY A 351
SER A 400
ASN A 305
 None
 1.32A 3lslA-1e5mA:
0.8
3lslD-1e5mA:
0.0		 3lslA-1e5mA:
20.96
3lslD-1e5mA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 ILE A 233
SER A 115
SER A 228
GLY A 232
ASN A 226
 None
 1.21A 3lslA-1gz0A:
undetectable
3lslD-1gz0A:
undetectable		 3lslA-1gz0A:
19.16
3lslD-1gz0A:
19.16
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.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		5 SER A 398
SER A 396
GLY A 313
SER A 292
ASN A 310
 None
 0.95A 3lslA-1h79A:
undetectable
3lslD-1h79A:
undetectable		 3lslA-1h79A:
19.25
3lslD-1h79A:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hxm GAMMA-DELTA T-CELL
RECEPTOR

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE A 169
PRO A 119
GLY A 173
ASN A 176
 None
 0.91A 3lslA-1hxmA:
undetectable
3lslD-1hxmA:
undetectable		 3lslA-1hxmA:
21.66
3lslD-1hxmA:
21.66
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.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A   6
SER A   9
GLY A   7
SER A  37
 None
NAP  A 900 (-2.7A)
NAP  A 900 (-2.5A)
NAP  A 900 (-2.5A)
 0.96A 3lslA-1hygA:
0.2
3lslD-1hygA:
0.1		 3lslA-1hygA:
22.12
3lslD-1hygA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 ILE A 467
SER A 460
GLY A 214
SER A 158
 None
 0.92A 3lslA-1ig8A:
undetectable
3lslD-1ig8A:
undetectable		 3lslA-1ig8A:
18.40
3lslD-1ig8A:
18.40
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 ILE A 517
GLY A 539
SER A 558
ASN A 394
 None
PQQ  A 701 (-3.4A)
None
PQQ  A 701 ( 3.9A)
 0.86A 3lslA-1lrwA:
undetectable
3lslD-1lrwA:
undetectable		 3lslA-1lrwA:
17.30
3lslD-1lrwA:
17.30
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.
1m0w GLUTATHIONE
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		4 ILE A 126
PRO A 314
GLY A 125
SER A 321
 None
 0.92A 3lslA-1m0wA:
0.0
3lslD-1m0wA:
0.0		 3lslA-1m0wA:
21.43
3lslD-1m0wA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ILE A 489
SER A 492
SER A 576
SER A 527
 None
 0.95A 3lslA-1r9jA:
undetectable
3lslD-1r9jA:
undetectable		 3lslA-1r9jA:
16.96
3lslD-1r9jA:
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.
1s4c PROTEIN HI0227

(Haemophilus
influenzae) 		PF04074
(DUF386) 		4 ILE A 108
PRO A 129
GLY A  84
PRO A  88
 None
 0.93A 3lslA-1s4cA:
undetectable
3lslD-1s4cA:
undetectable		 3lslA-1s4cA:
20.48
3lslD-1s4cA:
20.48
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.
1uap PROCOLLAGEN
C-PROTEINASE
ENHANCER PROTEIN

(Homo sapiens) 		PF01759
(NTR) 		4 PRO A 125
SER A  48
GLY A 114
SER A  24
 None
 0.97A 3lslA-1uapA:
undetectable
3lslD-1uapA:
undetectable		 3lslA-1uapA:
19.69
3lslD-1uapA:
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ILE A 419
PRO A 422
GLY A 418
ASN A  87
 None
None
None
TPP  A1602 ( 4.8A)
 0.83A 3lslA-1v5fA:
2.3
3lslD-1v5fA:
undetectable		 3lslA-1v5fA:
19.06
3lslD-1v5fA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkd CONSERVED
HYPOTHETICAL PROTEIN
TM1225

(Thermotoga
maritima) 		PF04041
(Glyco_hydro_130) 		4 ILE A 213
SER A 243
GLY A 232
ASN A 210
 None
 0.84A 3lslA-1vkdA:
undetectable
3lslD-1vkdA:
undetectable		 3lslA-1vkdA:
21.94
3lslD-1vkdA:
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		4 PRO A 195
GLY A 141
SER A 210
ASN A 221
 None
 0.91A 3lslA-1w27A:
undetectable
3lslD-1w27A:
undetectable		 3lslA-1w27A:
17.39
3lslD-1w27A:
17.39
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.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 ILE A 255
PRO A 250
GLY A 256
ASN A  72
 None
 0.92A 3lslA-1yx2A:
undetectable
3lslD-1yx2A:
undetectable		 3lslA-1yx2A:
22.88
3lslD-1yx2A:
22.88
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.
1yzg ADP-RIBOSYLATION
FACTOR-LIKE 8

(Homo sapiens) 		PF00025
(Arf) 		4 ILE A  48
SER A  76
GLY A  49
PRO A  46
 None
 0.94A 3lslA-1yzgA:
undetectable
3lslD-1yzgA:
undetectable		 3lslA-1yzgA:
19.85
3lslD-1yzgA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zcc GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Agrobacterium
fabrum) 		PF03009
(GDPD) 		4 ILE A 146
PRO A 114
GLY A 142
SER A 134
 None
 0.95A 3lslA-1zccA:
undetectable
3lslD-1zccA:
undetectable		 3lslA-1zccA:
22.30
3lslD-1zccA:
22.30
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.
2aj4 GALACTOKINASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 PRO A  89
GLY A 153
PRO A 150
ASN A 186
 None
 0.92A 3lslA-2aj4A:
undetectable
3lslD-2aj4A:
undetectable		 3lslA-2aj4A:
19.56
3lslD-2aj4A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 PRO A 215
GLY A 217
PRO A 653
SER A 620
 None
 0.86A 3lslA-2c11A:
undetectable
3lslD-2c11A:
undetectable		 3lslA-2c11A:
15.31
3lslD-2c11A:
15.31
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.
2c1d SOXA

(Paracoccus
denitrificans) 		no annotation 4 ILE A  61
PRO A  51
SER A 276
GLY A 278
 None
 0.90A 3lslA-2c1dA:
undetectable
3lslD-2c1dA:
undetectable		 3lslA-2c1dA:
17.54
3lslD-2c1dA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2egg SHIKIMATE
5-DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 PRO A  85
SER A  59
GLY A  30
PRO A  62
 None
 0.94A 3lslA-2eggA:
undetectable
3lslD-2eggA:
3.3		 3lslA-2eggA:
21.97
3lslD-2eggA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2frv PERIPLASMIC
HYDROGENASE

(Desulfovibrio
gigas) 		no annotation 4 ILE L  14
SER L  37
SER L  39
PRO L 529
 None
 0.66A 3lslA-2frvL:
undetectable
3lslD-2frvL:
undetectable		 3lslA-2frvL:
20.98
3lslD-2frvL:
20.98
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.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		4 ILE A  94
PRO A  44
SER A  86
GLY A  93
 None
 0.96A 3lslA-2g02A:
undetectable
3lslD-2g02A:
undetectable		 3lslA-2g02A:
21.90
3lslD-2g02A:
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.
2gpr GLUCOSE-PERMEASE IIA
COMPONENT

(Mycoplasma
capricolum) 		PF00358
(PTS_EIIA_1) 		4 ILE A  84
SER A 126
GLY A  85
PRO A  47
 None
 0.80A 3lslA-2gprA:
undetectable
3lslD-2gprA:
undetectable		 3lslA-2gprA:
20.92
3lslD-2gprA:
20.92
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.
2h6o MAJOR OUTER ENVELOPE
GLYCOPROTEIN GP350

(Human
gammaherpesvirus
4) 		PF05109
(Herpes_BLLF1) 		4 SER A 286
SER A 197
GLY A 287
PRO A 290
 None
None
None
NAG  A1195 (-4.0A)
 0.97A 3lslA-2h6oA:
undetectable
3lslD-2h6oA:
undetectable		 3lslA-2h6oA:
19.40
3lslD-2h6oA:
19.40
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.
2i71 HYPOTHETICAL PROTEIN

(Sulfolobus
solfataricus) 		PF09455
(Cas_DxTHG) 		4 ILE A 130
SER A   7
GLY A 129
SER A  32
 None
 0.97A 3lslA-2i71A:
undetectable
3lslD-2i71A:
undetectable		 3lslA-2i71A:
22.14
3lslD-2i71A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2il1 RAB12

(Homo sapiens) 		PF00071
(Ras) 		4 ILE A 144
SER A 146
GLY A 145
ASN A 201
 None
 0.96A 3lslA-2il1A:
undetectable
3lslD-2il1A:
undetectable		 3lslA-2il1A:
22.27
3lslD-2il1A:
22.27
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.
2iy9 SUBA

(Escherichia
coli) 		PF00082
(Peptidase_S8) 		4 PRO A  79
SER A  53
GLY A  54
PRO A 261
 None
 0.87A 3lslA-2iy9A:
undetectable
3lslD-2iy9A:
1.4		 3lslA-2iy9A:
23.55
3lslD-2iy9A:
23.55
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.
2la7 UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF03724
(META) 		4 ILE A 104
PRO A  44
GLY A 101
ASN A  72
 None
 0.67A 3lslA-2la7A:
undetectable
3lslD-2la7A:
undetectable		 3lslA-2la7A:
19.77
3lslD-2la7A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		4 ILE A 337
PRO A 336
SER A 328
GLY A 334
 None
 0.90A 3lslA-2o2cA:
undetectable
3lslD-2o2cA:
undetectable		 3lslA-2o2cA:
18.35
3lslD-2o2cA:
18.35
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		4 ILE A 472
PRO A 112
SER A 339
PRO A 320
 None
 0.94A 3lslA-2pggA:
undetectable
3lslD-2pggA:
undetectable		 3lslA-2pggA:
16.43
3lslD-2pggA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2raa PYRUVATE SYNTHASE
SUBUNIT PORC

(Thermotoga
maritima) 		PF01558
(POR) 		4 ILE A 136
GLY A 135
PRO A 140
ASN A 101
 None
 0.93A 3lslA-2raaA:
undetectable
3lslD-2raaA:
undetectable		 3lslA-2raaA:
21.69
3lslD-2raaA:
21.69
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.
2rcb GLUTAMATE [NMDA]
RECEPTOR SUBUNIT 3B

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A 124
PRO A 137
SER A 140
GLY A 249
 None
 0.62A 3lslA-2rcbA:
30.3
3lslD-2rcbA:
30.0		 3lslA-2rcbA:
29.63
3lslD-2rcbA:
29.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rcy PYRROLINE
CARBOXYLATE
REDUCTASE

(Plasmodium
falciparum) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		4 PRO A 170
SER A 166
GLY A 167
PRO A 117
 None
None
NAP  A 264 ( 4.8A)
None
 0.83A 3lslA-2rcyA:
undetectable
3lslD-2rcyA:
undetectable		 3lslA-2rcyA:
24.57
3lslD-2rcyA:
24.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 ILE A 493
PRO A 544
SER A 489
GLY A 492
 None
 0.96A 3lslA-2waeA:
undetectable
3lslD-2waeA:
undetectable		 3lslA-2waeA:
19.10
3lslD-2waeA:
19.10
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.
2x5q SSO1986

(Sulfolobus
solfataricus) 		no annotation 4 ILE A  29
SER A  31
SER A  66
GLY A  30
 None
 0.92A 3lslA-2x5qA:
undetectable
3lslD-2x5qA:
undetectable		 3lslA-2x5qA:
20.07
3lslD-2x5qA:
20.07
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.
2z2i PEPTIDYL-TRNA
HYDROLASE

(Mycobacterium
tuberculosis) 		PF01195
(Pept_tRNA_hydro) 		4 SER A 120
GLY A 117
PRO A  65
ASN A  12
 None
 0.92A 3lslA-2z2iA:
undetectable
3lslD-2z2iA:
undetectable		 3lslA-2z2iA:
20.85
3lslD-2z2iA:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zns GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 1

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A 504
PRO A 517
SER A 746
GLY A 748
 None
 0.25A 3lslA-2znsA:
37.4
3lslD-2znsA:
37.0		 3lslA-2znsA:
51.92
3lslD-2znsA:
51.92
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.
3a1f CYTOCHROME B-245
HEAVY CHAIN

(Homo sapiens) 		PF08030
(NAD_binding_6) 		4 ILE A   1
SER A  11
GLY A   8
SER A  38
 NI  A 193 (-4.0A)
None
None
None
 0.83A 3lslA-3a1fA:
undetectable
3lslD-3a1fA:
undetectable		 3lslA-3a1fA:
20.46
3lslD-3a1fA:
20.46
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.
3aqk POLY(A) POLYMERASE

(Escherichia
coli) 		PF01743
(PolyA_pol)
PF12626
(PolyA_pol_arg_C)
PF12627
(PolyA_pol_RNAbd) 		4 ILE A 220
PRO A 219
SER A 213
PRO A 187
 None
 0.96A 3lslA-3aqkA:
undetectable
3lslD-3aqkA:
undetectable		 3lslA-3aqkA:
21.00
3lslD-3aqkA:
21.00
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.
3ayq LYSOZYME

(Meretrix
lusoria) 		PF05497
(Destabilase) 		4 ILE A  40
SER A  61
SER A  57
PRO A  51
 NAG  A 125 (-4.4A)
None
None
None
 0.94A 3lslA-3ayqA:
undetectable
3lslD-3ayqA:
undetectable		 3lslA-3ayqA:
17.18
3lslD-3ayqA:
17.18
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		4 ILE A 342
SER A 317
GLY A 339
PRO A 195
 None
 0.91A 3lslA-3c4qA:
undetectable
3lslD-3c4qA:
1.4		 3lslA-3c4qA:
21.26
3lslD-3c4qA:
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.
3dkn PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Canis lupus) 		PF00344
(SecY) 		4 ILE A 174
SER A 168
GLY A 171
ASN A 256
 None
 0.95A 3lslA-3dknA:
undetectable
3lslD-3dknA:
undetectable		 3lslA-3dknA:
20.69
3lslD-3dknA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ed3 PROTEIN
DISULFIDE-ISOMERASE
MPD1

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin) 		4 PRO A 282
SER A 291
GLY A 285
ASN A 268
 None
 0.92A 3lslA-3ed3A:
undetectable
3lslD-3ed3A:
undetectable		 3lslA-3ed3A:
24.77
3lslD-3ed3A:
24.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fds DNA POLYMERASE
SLIDING CLAMP C

(Sulfolobus
solfataricus) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 ILE D  40
SER D  38
GLY D  39
PRO D 122
 None
 0.90A 3lslA-3fdsD:
undetectable
3lslD-3fdsD:
undetectable		 3lslA-3fdsD:
24.04
3lslD-3fdsD:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		4 ILE A  60
PRO A  58
GLY A  61
SER A 257
 None
 0.75A 3lslA-3g0tA:
undetectable
3lslD-3g0tA:
undetectable		 3lslA-3g0tA:
20.50
3lslD-3g0tA:
20.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A  92
PRO A 105
SER A 108
GLY A 219
 None
CYZ  A 265 (-3.9A)
CYZ  A 265 (-2.8A)
None
 0.38A 3lslA-3h6tA:
42.6
3lslD-3h6tA:
42.7		 3lslA-3h6tA:
99.61
3lslD-3h6tA:
99.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A  92
PRO A 105
SER A 217
GLY A 219
 None
CYZ  A 265 (-3.9A)
GOL  A 270 ( 3.0A)
None
 0.74A 3lslA-3h6tA:
42.6
3lslD-3h6tA:
42.7		 3lslA-3h6tA:
99.61
3lslD-3h6tA:
99.61
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'
DNA-DIRECTED RNA
POLYMERASE, SUBUNIT
G (RPOG)

(Sulfolobus
solfataricus;
Sulfolobus
solfataricus) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF16992
(RNA_pol_RpbG) 		4 ILE A 539
GLY G  73
SER G  85
ASN G  88
 None
 0.75A 3lslA-3hkzA:
undetectable
3lslD-3hkzA:
undetectable		 3lslA-3hkzA:
14.79
3lslD-3hkzA:
14.79
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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		4 ILE A  37
SER A 176
SER A 351
ASN A  24
 None
 0.92A 3lslA-3ik2A:
undetectable
3lslD-3ik2A:
undetectable		 3lslA-3ik2A:
18.55
3lslD-3ik2A:
18.55
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.
3j31 COAT PROTEIN

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 4 ILE A 220
GLY A 225
PRO A  56
SER A  54
 None
 0.90A 3lslA-3j31A:
undetectable
3lslD-3j31A:
undetectable		 3lslA-3j31A:
20.40
3lslD-3j31A:
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.
3j9o INTRACELLULAR GROWTH
LOCUS PROTEIN B

(Francisella
tularensis) 		PF05943
(VipB) 		4 ILE B 197
SER B 374
GLY B 244
PRO B 195
 None
 0.76A 3lslA-3j9oB:
undetectable
3lslD-3j9oB:
undetectable		 3lslA-3j9oB:
18.44
3lslD-3j9oB:
18.44
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.
3k6h NITROREDUCTASE
FAMILY PROTEIN

(Agrobacterium
fabrum) 		PF00881
(Nitroreductase) 		5 ILE A 170
PRO A  29
SER A 172
GLY A 171
ASN A 133
 None
 1.32A 3lslA-3k6hA:
undetectable
3lslD-3k6hA:
undetectable		 3lslA-3k6hA:
21.29
3lslD-3k6hA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 4 ILE X  98
SER X  14
GLY X  12
ASN X 147
 None
C8E  X 623 (-2.9A)
None
C8E  X 623 (-3.1A)
 0.92A 3lslA-3kvnX:
undetectable
3lslD-3kvnX:
undetectable		 3lslA-3kvnX:
16.61
3lslD-3kvnX:
16.61
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 4 ILE X  98
SER X  16
GLY X  12
ASN X 147
 None
None
None
C8E  X 623 (-3.1A)
 0.86A 3lslA-3kvnX:
undetectable
3lslD-3kvnX:
undetectable		 3lslA-3kvnX:
16.61
3lslD-3kvnX:
16.61
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.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		4 ILE A 483
SER A 461
SER A 408
ASN A 486
 None
 0.88A 3lslA-3lq1A:
1.0
3lslD-3lq1A:
undetectable		 3lslA-3lq1A:
19.48
3lslD-3lq1A:
19.48
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.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		4 ILE A 152
SER A 132
GLY A 147
ASN A 150
 None
 0.95A 3lslA-3mdqA:
undetectable
3lslD-3mdqA:
undetectable		 3lslA-3mdqA:
22.19
3lslD-3mdqA:
22.19
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.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		4 SER A 732
GLY A 731
SER A 210
ASN A 377
 None
 0.96A 3lslA-3n23A:
undetectable
3lslD-3n23A:
undetectable		 3lslA-3n23A:
13.10
3lslD-3n23A:
13.10
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.
3nea PEPTIDYL-TRNA
HYDROLASE

(Francisella
tularensis) 		PF01195
(Pept_tRNA_hydro) 		4 SER A 120
GLY A 117
PRO A  65
ASN A  12
 None
 0.95A 3lslA-3neaA:
undetectable
3lslD-3neaA:
undetectable		 3lslA-3neaA:
21.03
3lslD-3neaA:
21.03
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.
3nuz PUTATIVE ACETYL
XYLAN ESTERASE

(Bacteroides
fragilis) 		PF12715
(Abhydrolase_7) 		4 ILE A 143
PRO A 261
SER A 146
GLY A 258
 None
 0.90A 3lslA-3nuzA:
undetectable
3lslD-3nuzA:
undetectable		 3lslA-3nuzA:
23.28
3lslD-3nuzA:
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.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		4 ILE A 104
PRO A  66
GLY A  94
PRO A 108
 None
 0.95A 3lslA-3odgA:
undetectable
3lslD-3odgA:
undetectable		 3lslA-3odgA:
22.50
3lslD-3odgA:
22.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A 488
PRO A 501
SER A 730
GLY A 732
 None
 0.26A 3lslA-3qxmA:
13.3
3lslD-3qxmA:
37.2		 3lslA-3qxmA:
51.92
3lslD-3qxmA:
51.92
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		4 ILE A 118
PRO A 119
GLY A 117
PRO A  92
 None
 0.89A 3lslA-3rg9A:
1.6
3lslD-3rg9A:
undetectable		 3lslA-3rg9A:
23.64
3lslD-3rg9A:
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.
3rjl 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Bacillus
licheniformis) 		PF00171
(Aldedh) 		4 ILE A 376
SER A 387
GLY A 389
PRO A 421
 None
 0.93A 3lslA-3rjlA:
undetectable
3lslD-3rjlA:
undetectable		 3lslA-3rjlA:
20.00
3lslD-3rjlA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u92 GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A  91
PRO A 104
SER A 212
GLY A 214
 None
 0.28A 3lslA-3u92A:
36.9
3lslD-3u92A:
36.7		 3lslA-3u92A:
51.34
3lslD-3u92A:
51.34
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.
3umt SCFV HEAVY CHAIN AND
LIGHT CHAIN

(Mus musculus) 		PF07686
(V-set) 		4 ILE A  50
SER A  61
GLY A  51
SER A 231
 None
NHE  A 300 (-4.6A)
None
NHE  A 300 ( 4.4A)
 0.91A 3lslA-3umtA:
undetectable
3lslD-3umtA:
undetectable		 3lslA-3umtA:
21.03
3lslD-3umtA:
21.03
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.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 PRO A  83
GLY A 147
PRO A 144
ASN A 178
 None
 0.97A 3lslA-3v5rA:
undetectable
3lslD-3v5rA:
undetectable		 3lslA-3v5rA:
20.72
3lslD-3v5rA:
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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 ILE A  19
PRO A 106
GLY A  18
PRO A 391
 None
 0.77A 3lslA-3vthA:
undetectable
3lslD-3vthA:
undetectable		 3lslA-3vthA:
19.58
3lslD-3vthA:
19.58
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.
3wwx S12 FAMILY PEPTIDASE

(Streptomyces
sp. 82F2) 		PF00144
(Beta-lactamase) 		4 ILE A  87
SER A 342
GLY A 336
SER A 367
 None
DIA  A 401 ( 3.4A)
None
None
 0.93A 3lslA-3wwxA:
undetectable
3lslD-3wwxA:
undetectable		 3lslA-3wwxA:
21.47
3lslD-3wwxA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxm PROTEIN PELOTA
HOMOLOG

(Aeropyrum
pernix) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		4 ILE B  79
SER B  95
SER B  64
GLY B  78
 None
 0.92A 3lslA-3wxmB:
undetectable
3lslD-3wxmB:
undetectable		 3lslA-3wxmB:
22.25
3lslD-3wxmB:
22.25
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.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		4 ILE A 861
SER A 731
PRO A 853
ASN A 759
 None
CSO  A 845 ( 2.5A)
None
None
 0.95A 3lslA-3zdrA:
undetectable
3lslD-3zdrA:
undetectable		 3lslA-3zdrA:
20.40
3lslD-3zdrA:
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.
3zl8 UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ILE A 180
SER A  91
GLY A 167
SER A 312
 None
ADP  A1441 (-4.0A)
None
None
 0.85A 3lslA-3zl8A:
undetectable
3lslD-3zl8A:
undetectable		 3lslA-3zl8A:
21.90
3lslD-3zl8A:
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 ILE A 150
PRO A 118
SER A 141
GLY A 149
ASN A 574
 None
 1.31A 3lslA-4a2qA:
undetectable
3lslD-4a2qA:
undetectable		 3lslA-4a2qA:
15.22
3lslD-4a2qA:
15.22
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.
4b0n POLYKETIDE SYNTHASE
III

(Ectocarpus
siliculosus) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 162
GLY A 190
SER A 367
ASN A 199
 None
MLA  A1415 ( 3.5A)
None
None
 0.97A 3lslA-4b0nA:
undetectable
3lslD-4b0nA:
undetectable		 3lslA-4b0nA:
20.72
3lslD-4b0nA:
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA43

(Saccharomyces
cerevisiae) 		PF03876
(SHS2_Rpb7-N) 		4 ILE G 107
PRO G 112
SER G  48
PRO G  51
 None
 0.95A 3lslA-4c3hG:
undetectable
3lslD-4c3hG:
undetectable		 3lslA-4c3hG:
19.46
3lslD-4c3hG:
19.46
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.
4cgn GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Leishmania
major) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 ILE A 235
PRO A 236
SER A 233
GLY A 234
SER A 221
 None
 1.33A 3lslA-4cgnA:
undetectable
3lslD-4cgnA:
undetectable		 3lslA-4cgnA:
20.40
3lslD-4cgnA:
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		4 ILE A 133
SER A 146
GLY A 137
ASN A 426
 None
 0.94A 3lslA-4conA:
undetectable
3lslD-4conA:
undetectable		 3lslA-4conA:
15.87
3lslD-4conA:
15.87
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.
4efi 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ILE A 241
GLY A 238
SER A 171
ASN A 276
 None
 0.85A 3lslA-4efiA:
undetectable
3lslD-4efiA:
undetectable		 3lslA-4efiA:
22.46
3lslD-4efiA:
22.46
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.
4ft6 PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 SER A 210
SER A 225
GLY A 227
PRO A 282
 None
 0.67A 3lslA-4ft6A:
undetectable
3lslD-4ft6A:
undetectable		 3lslA-4ft6A:
19.20
3lslD-4ft6A:
19.20
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.
4h8a UREIDOGLYCOLATE
DEHYDROGENASE

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 PRO A 164
GLY A 131
SER A 276
ASN A 269
 None
 0.95A 3lslA-4h8aA:
undetectable
3lslD-4h8aA:
undetectable		 3lslA-4h8aA:
21.28
3lslD-4h8aA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j1y COMPLEMENT C1S
SUBCOMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 ILE A 361
PRO A 362
GLY A 360
PRO A 373
SER A 380
 None
 1.26A 3lslA-4j1yA:
undetectable
3lslD-4j1yA:
undetectable		 3lslA-4j1yA:
22.42
3lslD-4j1yA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jej GERANYLGERANYLGLYCER
YL PHOSPHATE
SYNTHASE

(Flavobacterium
johnsoniae) 		PF01884
(PcrB) 		4 ILE A 177
SER A 101
SER A 131
GLY A 133
 None
 0.97A 3lslA-4jejA:
undetectable
3lslD-4jejA:
undetectable		 3lslA-4jejA:
23.33
3lslD-4jejA:
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.
4k05 CONSERVED
HYPOTHETICAL
EXPORTED PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		4 ILE A 180
PRO A 179
GLY A 147
SER A 254
 None
 0.95A 3lslA-4k05A:
undetectable
3lslD-4k05A:
undetectable		 3lslA-4k05A:
21.38
3lslD-4k05A:
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.
4kcd GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 3A

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A 126
PRO A 139
SER A 142
GLY A 251
 None
 0.47A 3lslA-4kcdA:
29.7
3lslD-4kcdA:
29.7		 3lslA-4kcdA:
28.81
3lslD-4kcdA:
28.81
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.
4kjr CATION EXCHANGER
YFKE

(Bacillus
subtilis) 		PF01699
(Na_Ca_ex) 		4 ILE A 242
SER A  91
GLY A 243
SER A  76
 None
 0.70A 3lslA-4kjrA:
undetectable
3lslD-4kjrA:
undetectable		 3lslA-4kjrA:
21.23
3lslD-4kjrA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4leo RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 ILE C 374
SER C 403
GLY C 376
SER C 317
 None
 0.90A 3lslA-4leoC:
undetectable
3lslD-4leoC:
undetectable		 3lslA-4leoC:
17.79
3lslD-4leoC:
17.79
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.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 ILE A 214
GLY A 215
PRO A  47
ASN A  51
 None
 0.94A 3lslA-4lr2A:
undetectable
3lslD-4lr2A:
undetectable		 3lslA-4lr2A:
20.83
3lslD-4lr2A:
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.
4n5c CARGO-TRANSPORT
PROTEIN YPP1

(Saccharomyces
cerevisiae) 		no annotation 4 ILE A 106
SER A 117
GLY A 105
ASN A 150
 None
 0.82A 3lslA-4n5cA:
undetectable
3lslD-4n5cA:
undetectable		 3lslA-4n5cA:
14.57
3lslD-4n5cA:
14.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5m ISOVALERYL-COA
DEHYDROGENASE

(Brucella suis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ILE A  83
GLY A  84
SER A  91
ASN A 159
 None
 0.95A 3lslA-4o5mA:
undetectable
3lslD-4o5mA:
undetectable		 3lslA-4o5mA:
21.07
3lslD-4o5mA:
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.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 5 ILE A 496
SER A 471
SER A 499
GLY A 466
ASN A 531
 None
 1.37A 3lslA-4oj5A:
undetectable
3lslD-4oj5A:
undetectable		 3lslA-4oj5A:
16.10
3lslD-4oj5A:
16.10
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		4 ILE A 759
PRO A 328
SER A 562
PRO A 541
 None
 0.81A 3lslA-4q2cA:
undetectable
3lslD-4q2cA:
undetectable		 3lslA-4q2cA:
12.76
3lslD-4q2cA:
12.76
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.
4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF16819
(DUF5074)
PF16820
(PKD_3) 		4 ILE A 159
GLY A 131
SER A 439
ASN A 161
 ACT  A 505 (-4.9A)
ACT  A 505 (-3.9A)
None
ACT  A 505 (-4.0A)
 0.94A 3lslA-4r5oA:
undetectable
3lslD-4r5oA:
undetectable		 3lslA-4r5oA:
21.28
3lslD-4r5oA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tmz EIF5B

(Chaetomium
thermophilum) 		no annotation 5 ILE B 560
SER B 610
SER B 606
GLY B 608
ASN B 603
 None
 1.27A 3lslA-4tmzB:
undetectable
3lslD-4tmzB:
undetectable		 3lslA-4tmzB:
21.65
3lslD-4tmzB:
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.
4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
fructosivorans) 		PF00374
(NiFeSe_Hases) 		4 ILE Q  21
SER Q  44
SER Q  46
PRO Q 542
 None
 0.76A 3lslA-4upeQ:
undetectable
3lslD-4upeQ:
undetectable		 3lslA-4upeQ:
19.01
3lslD-4upeQ:
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.
4yly PEPTIDYL-TRNA
HYDROLASE

(Staphylococcus
aureus) 		PF01195
(Pept_tRNA_hydro) 		4 SER A 116
GLY A 113
PRO A  61
ASN A   9
 None
 0.91A 3lslA-4ylyA:
undetectable
3lslD-4ylyA:
undetectable		 3lslA-4ylyA:
22.48
3lslD-4ylyA:
22.48
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.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 ILE A 385
SER A 380
GLY A 384
ASN A 378
 None
None
None
NAG  A 707 (-1.8A)
 0.95A 3lslA-4z64A:
undetectable
3lslD-4z64A:
undetectable		 3lslA-4z64A:
15.59
3lslD-4z64A:
15.59
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.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		4 SER A 472
SER A 190
GLY A 136
PRO A 193
 None
None
None
ADP  A 901 (-4.5A)
 0.94A 3lslA-5e7pA:
undetectable
3lslD-5e7pA:
undetectable		 3lslA-5e7pA:
15.07
3lslD-5e7pA:
15.07
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 GLY A 346
PRO A  70
SER A 124
ASN A  72
 None
None
None
FES  A3002 ( 3.8A)
 0.78A 3lslA-5epgA:
undetectable
3lslD-5epgA:
undetectable		 3lslA-5epgA:
12.24
3lslD-5epgA:
12.24