SIMILAR PATTERNS OF AMINO ACIDS FOR 2XZ5_B_ACHB1210

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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 TRP A 191
VAL A 114
TYR A 105
TYR A 196
 None
 1.16A 2xz5B-1f4hA:
0.0
2xz5E-1f4hA:
0.0		 2xz5B-1f4hA:
11.67
2xz5E-1f4hA:
11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fx2 RECEPTOR-TYPE
ADENYLATE CYCLASE
GRESAG 4.1

(Trypanosoma
brucei) 		PF00211
(Guanylate_cyc) 		4 VAL A 932
TYR A 939
CYH A 941
ILE A 903
 None
 1.19A 2xz5B-1fx2A:
0.0
2xz5E-1fx2A:
undetectable		 2xz5B-1fx2A:
24.24
2xz5E-1fx2A:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jyo SICP

(Salmonella
enterica) 		PF05932
(CesT) 		4 TYR A  84
TRP A  64
VAL A  58
ILE A  63
 None
 1.26A 2xz5B-1jyoA:
undetectable
2xz5E-1jyoA:
undetectable		 2xz5B-1jyoA:
20.47
2xz5E-1jyoA:
20.47
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.
1m66 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Leishmania
mexicana) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 VAL A  33
TYR A  14
CYH A  38
ILE A 184
 None
 1.28A 2xz5B-1m66A:
undetectable
2xz5E-1m66A:
undetectable		 2xz5B-1m66A:
20.00
2xz5E-1m66A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		4 VAL A 334
TYR A 311
CYH A 308
ILE A 322
 None
 1.15A 2xz5B-1m7jA:
undetectable
2xz5E-1m7jA:
undetectable		 2xz5B-1m7jA:
20.08
2xz5E-1m7jA:
20.08
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.
1n7r HYALURONIDASE

(Streptococcus
pneumoniae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 TYR A 281
VAL A 329
TYR A 294
ILE A 296
 None
 1.33A 2xz5B-1n7rA:
0.0
2xz5E-1n7rA:
0.0		 2xz5B-1n7rA:
15.12
2xz5E-1n7rA:
15.12
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.
1orj FLAGELLAR PROTEIN
FLIS

(Aquifex
aeolicus) 		PF02561
(FliS) 		4 TYR A1026
VAL A1059
TYR A1086
ILE A1106
 None
 1.34A 2xz5B-1orjA:
undetectable
2xz5E-1orjA:
undetectable		 2xz5B-1orjA:
19.25
2xz5E-1orjA:
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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 TYR A 194
VAL A 170
TYR A 188
ILE A 106
 None
 1.22A 2xz5B-1pvgA:
undetectable
2xz5E-1pvgA:
undetectable		 2xz5B-1pvgA:
20.81
2xz5E-1pvgA:
20.81
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.
1qc6 EVH1 DOMAIN FROM
ENA/VASP-LIKE
PROTEIN

(Mus musculus) 		PF00568
(WH1) 		4 TYR A1088
VAL A1060
TYR A1063
ILE A1036
 None
 1.20A 2xz5B-1qc6A:
undetectable
2xz5E-1qc6A:
undetectable		 2xz5B-1qc6A:
20.47
2xz5E-1qc6A:
20.47
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 TYR A 428
VAL A 434
TYR A 406
ILE A 431
 None
 1.24A 2xz5B-1r8wA:
undetectable
2xz5E-1r8wA:
0.0		 2xz5B-1r8wA:
14.66
2xz5E-1r8wA:
14.66
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 TYR A 417
VAL A 595
TYR A 406
ILE A 298
 None
 1.33A 2xz5B-1rw9A:
undetectable
2xz5E-1rw9A:
undetectable		 2xz5B-1rw9A:
13.61
2xz5E-1rw9A:
13.61
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.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		4 TYR A 388
TRP A 253
VAL A 252
ILE A 248
 None
 1.31A 2xz5B-1rzvA:
undetectable
2xz5E-1rzvA:
undetectable		 2xz5B-1rzvA:
18.24
2xz5E-1rzvA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s58 B19 PARVOVIRUS
CAPSID

(Primate
erythroparvovirus
1) 		PF00740
(Parvo_coat) 		4 TYR A 186
VAL A 213
TYR A 184
TYR A 159
 None
 1.21A 2xz5B-1s58A:
undetectable
2xz5E-1s58A:
undetectable		 2xz5B-1s58A:
16.70
2xz5E-1s58A:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 TYR A 186
VAL A 210
TYR A 298
ILE A 105
 None
 1.30A 2xz5B-1tkiA:
undetectable
2xz5E-1tkiA:
undetectable		 2xz5B-1tkiA:
20.90
2xz5E-1tkiA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		4 TYR A 505
VAL A  36
CYH A  43
ILE A  66
 None
 0.98A 2xz5B-1xrsA:
undetectable
2xz5E-1xrsA:
undetectable		 2xz5B-1xrsA:
17.69
2xz5E-1xrsA:
17.69
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 TRP A 191
VAL A 112
TYR A 103
TYR A 196
 None
 1.22A 2xz5B-1yq2A:
undetectable
2xz5E-1yq2A:
undetectable		 2xz5B-1yq2A:
12.56
2xz5E-1yq2A:
12.56
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.
1zs3 LACTOCOCCUS LACTIS
MG1363 DPSA

(Lactococcus
lactis) 		no annotation 4 TYR A  71
VAL A 149
TYR A 154
ILE A 129
 None
 1.34A 2xz5B-1zs3A:
undetectable
2xz5E-1zs3A:
undetectable		 2xz5B-1zs3A:
20.09
2xz5E-1zs3A:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bj0 ACETYLCHOLINE-BINDIN
G PROTEIN

(Bulinus
truncatus) 		PF02931
(Neur_chan_LBD) 		4 TYR A  88
TRP A 142
TYR A 184
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 (-4.6A)
CXS  A1204 (-4.7A)
 0.55A 2xz5B-2bj0A:
24.7
2xz5E-2bj0A:
24.6		 2xz5B-2bj0A:
31.30
2xz5E-2bj0A:
31.30
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.
2bqx INORGANIC
PYROPHOSPHATASE

(Helicobacter
pylori) 		PF00719
(Pyrophosphatase) 		4 TYR A 140
TYR A  50
TYR A  54
ILE A 133
 None
 1.25A 2xz5B-2bqxA:
undetectable
2xz5E-2bqxA:
undetectable		 2xz5B-2bqxA:
23.77
2xz5E-2bqxA:
23.77
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.
2c2g THREONINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		4 TYR A 337
VAL A 323
CYH A 375
ILE A 300
 None
 1.32A 2xz5B-2c2gA:
undetectable
2xz5E-2c2gA:
undetectable		 2xz5B-2c2gA:
17.28
2xz5E-2c2gA:
17.28
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TYR A 721
VAL A 534
TYR A  50
ILE A 539
 None
 0.96A 2xz5B-2d5lA:
undetectable
2xz5E-2d5lA:
undetectable		 2xz5B-2d5lA:
14.80
2xz5E-2d5lA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dyu FORMAMIDASE

(Helicobacter
pylori) 		PF00795
(CN_hydrolase) 		4 VAL A 100
TYR A  88
CYH A  92
ILE A  56
 None
 1.35A 2xz5B-2dyuA:
undetectable
2xz5E-2dyuA:
undetectable		 2xz5B-2dyuA:
19.29
2xz5E-2dyuA:
19.29
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.
2gk3 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF07090
(GATase1_like) 		4 TYR A 111
VAL A  10
TYR A  75
ILE A  13
 None
 1.22A 2xz5B-2gk3A:
undetectable
2xz5E-2gk3A:
undetectable		 2xz5B-2gk3A:
20.61
2xz5E-2gk3A:
20.61
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.
2h03 PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, B,

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TYR A1865
TRP A1868
VAL A1873
CYH A1959
 None
 1.28A 2xz5B-2h03A:
undetectable
2xz5E-2h03A:
undetectable		 2xz5B-2h03A:
21.80
2xz5E-2h03A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TYR A 823
VAL A 907
CYH A 803
ILE A 781
 None
 1.34A 2xz5B-2i1yA:
undetectable
2xz5E-2i1yA:
undetectable		 2xz5B-2i1yA:
21.36
2xz5E-2i1yA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		4 TYR A 254
TYR A 250
CYH A 270
ILE A 281
 None
 1.34A 2xz5B-2i9uA:
undetectable
2xz5E-2i9uA:
undetectable		 2xz5B-2i9uA:
19.68
2xz5E-2i9uA:
19.68
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.
2j3h NADP-DEPENDENT
OXIDOREDUCTASE P1

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 TYR A 148
VAL A 172
CYH A 181
ILE A 228
 None
 1.27A 2xz5B-2j3hA:
undetectable
2xz5E-2j3hA:
undetectable		 2xz5B-2j3hA:
21.11
2xz5E-2j3hA:
21.11
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.
2myi EXODEOXYRIBONUCLEASE
III

(Pseudomonas sp.
Lz4W) 		PF03372
(Exo_endo_phos) 		4 TYR A 132
TYR A 145
TYR A 143
ILE A 181
 None
 1.34A 2xz5B-2myiA:
undetectable
2xz5E-2myiA:
undetectable		 2xz5B-2myiA:
18.96
2xz5E-2myiA:
18.96
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.
2nyz HYPOTHETICAL PROTEIN
GAMMAHV.M3

(Murid
gammaherpesvirus
4) 		PF09213
(M3) 		4 TYR A 125
VAL A 128
TYR A 127
ILE A  86
 None
 1.28A 2xz5B-2nyzA:
undetectable
2xz5E-2nyzA:
undetectable		 2xz5B-2nyzA:
19.77
2xz5E-2nyzA:
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.
2o42 M11L PROTEIN

(Myxoma virus) 		PF11099
(M11L) 		4 VAL A   9
CYH A  34
TYR A  12
ILE A 123
 None
 1.36A 2xz5B-2o42A:
undetectable
2xz5E-2o42A:
undetectable		 2xz5B-2o42A:
21.86
2xz5E-2o42A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2prd PYROPHOSPHATE
PHOSPHOHYDROLASE

(Thermus
thermophilus) 		PF00719
(Pyrophosphatase) 		4 TYR A 139
TYR A  51
TYR A  55
ILE A 132
 SO4  A 175 (-4.3A)
None
None
None
 1.33A 2xz5B-2prdA:
undetectable
2xz5E-2prdA:
undetectable		 2xz5B-2prdA:
25.91
2xz5E-2prdA:
25.91
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 TYR A 631
VAL A 626
TYR A 628
TYR A 987
 None
 1.34A 2xz5B-2qf7A:
undetectable
2xz5E-2qf7A:
undetectable		 2xz5B-2qf7A:
10.06
2xz5E-2qf7A:
10.06
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 TYR A 824
VAL A 329
TYR A 822
ILE A 392
 None
 1.35A 2xz5B-2wyhA:
undetectable
2xz5E-2wyhA:
undetectable		 2xz5B-2wyhA:
14.61
2xz5E-2wyhA:
14.61
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.
2xfl DYNE7

(Micromonospora
chersina) 		PF13279
(4HBT_2) 		4 TYR A 145
VAL A  12
CYH A  40
TYR A  11
 None
 1.27A 2xz5B-2xflA:
undetectable
2xz5E-2xflA:
undetectable		 2xz5B-2xflA:
19.35
2xz5E-2xflA:
19.35
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.
2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 VAL A  81
TYR A 136
TYR A 156
ILE A 108
 None
 1.27A 2xz5B-2xh6A:
undetectable
2xz5E-2xh6A:
undetectable		 2xz5B-2xh6A:
20.25
2xz5E-2xh6A:
20.25
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.
2xtq COLICIN-M

(Escherichia
coli) 		PF14859
(Colicin_M) 		4 TYR A 102
TYR A  82
TYR A  18
ILE A 130
 None
 1.30A 2xz5B-2xtqA:
undetectable
2xz5E-2xtqA:
undetectable		 2xz5B-2xtqA:
21.58
2xz5E-2xtqA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3au9 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 VAL A 332
TYR A 327
TYR A 406
ILE A 265
 None
 1.36A 2xz5B-3au9A:
undetectable
2xz5E-3au9A:
undetectable		 2xz5B-3au9A:
19.86
2xz5E-3au9A:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF07517
(SecA_DEAD) 		4 TYR A 384
TYR A 380
TYR A 182
ILE A 214
 None
 1.35A 2xz5B-3bxzA:
undetectable
2xz5E-3bxzA:
undetectable		 2xz5B-3bxzA:
17.87
2xz5E-3bxzA:
17.87
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.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF07517
(SecA_DEAD) 		4 TYR A 384
VAL A 128
TYR A 182
ILE A 214
 None
 1.24A 2xz5B-3bxzA:
undetectable
2xz5E-3bxzA:
undetectable		 2xz5B-3bxzA:
17.87
2xz5E-3bxzA:
17.87
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.
3cwg SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 3

(Mus musculus) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		4 TYR A 584
TYR A 686
CYH A 687
ILE A 654
 None
 1.14A 2xz5B-3cwgA:
undetectable
2xz5E-3cwgA:
undetectable		 2xz5B-3cwgA:
19.09
2xz5E-3cwgA:
19.09
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 TYR A 137
VAL A  70
TYR A  36
ILE A 155
 None
 1.06A 2xz5B-3dkhA:
2.3
2xz5E-3dkhA:
2.1		 2xz5B-3dkhA:
17.27
2xz5E-3dkhA:
17.27
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.
3e6a GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
CYTOSOLIC

(Oryza sativa) 		no annotation 4 TRP O 315
VAL O 313
CYH O 158
ILE O 296
 None
 1.23A 2xz5B-3e6aO:
undetectable
2xz5E-3e6aO:
undetectable		 2xz5B-3e6aO:
21.02
2xz5E-3e6aO:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evi PHOSDUCIN-LIKE
PROTEIN 2

(Homo sapiens) 		PF02114
(Phosducin) 		4 TYR A 167
VAL A 101
CYH A 152
ILE A  95
 None
 1.30A 2xz5B-3eviA:
undetectable
2xz5E-3eviA:
undetectable		 2xz5B-3eviA:
18.43
2xz5E-3eviA:
18.43
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.
3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Staphylococcus
aureus) 		PF00342
(PGI) 		4 TYR A  85
VAL A 109
TYR A 274
ILE A  92
 None
 1.35A 2xz5B-3ff1A:
undetectable
2xz5E-3ff1A:
undetectable		 2xz5B-3ff1A:
19.13
2xz5E-3ff1A:
19.13
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.
3gec PERIOD CIRCADIAN
PROTEIN

(Drosophila
melanogaster) 		PF00989
(PAS)
PF14598
(PAS_11) 		4 TYR A 428
VAL A 435
TYR A 440
ILE A 526
 None
 1.33A 2xz5B-3gecA:
undetectable
2xz5E-3gecA:
undetectable		 2xz5B-3gecA:
20.39
2xz5E-3gecA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 TYR A 654
VAL A 649
TYR A 651
TYR A1013
 None
 1.34A 2xz5B-3ho8A:
undetectable
2xz5E-3ho8A:
undetectable		 2xz5B-3ho8A:
11.96
2xz5E-3ho8A:
11.96
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.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 TYR B 248
TRP B 226
VAL B 190
ILE B 224
 None
 1.28A 2xz5B-3jcmB:
undetectable
2xz5E-3jcmB:
undetectable		 2xz5B-3jcmB:
19.19
2xz5E-3jcmB:
19.19
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 VAL A 149
TYR A 213
CYH A 215
ILE A 207
 None
 1.17A 2xz5B-3juxA:
undetectable
2xz5E-3juxA:
undetectable		 2xz5B-3juxA:
13.39
2xz5E-3juxA:
13.39
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.
3kd4 PUTATIVE PROTEASE

(Parabacteroides
distasonis) 		PF12969
(DUF3857)
PF12970
(DUF3858) 		4 TYR A 114
VAL A 294
TYR A 305
ILE A 311
 None
None
None
GOL  A 530 ( 4.9A)
 1.36A 2xz5B-3kd4A:
2.5
2xz5E-3kd4A:
undetectable		 2xz5B-3kd4A:
17.29
2xz5E-3kd4A:
17.29
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Homo sapiens) 		PF03483
(B3_4)
PF03484
(B5) 		4 VAL B 271
TYR B 277
CYH B 278
ILE B 251
 None
 1.01A 2xz5B-3l4gB:
undetectable
2xz5E-3l4gB:
undetectable		 2xz5B-3l4gB:
15.46
2xz5E-3l4gB:
15.46
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.
3o80 HEXOKINASE

(Kluyveromyces
lactis) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 TYR A 269
VAL A 396
CYH A 403
ILE A 413
 None
 1.33A 2xz5B-3o80A:
undetectable
2xz5E-3o80A:
undetectable		 2xz5B-3o80A:
18.52
2xz5E-3o80A:
18.52
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.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		4 TYR A  41
VAL A 130
TYR A  34
ILE A   6
 None
 0.80A 2xz5B-3pl1A:
undetectable
2xz5E-3pl1A:
undetectable		 2xz5B-3pl1A:
21.37
2xz5E-3pl1A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxj TYROSINE-PROTEIN
PHOSPHATASE LAR

(Drosophila
melanogaster) 		PF07679
(I-set) 		4 TRP A  69
VAL A  85
TYR A  56
ILE A  67
 None
 1.22A 2xz5B-3pxjA:
undetectable
2xz5E-3pxjA:
undetectable		 2xz5B-3pxjA:
21.76
2xz5E-3pxjA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxn KINESIN-LIKE PROTEIN
NOD

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		4 VAL A  72
TYR A 290
CYH A  81
ILE A  68
 None
 1.16A 2xz5B-3pxnA:
undetectable
2xz5E-3pxnA:
undetectable		 2xz5B-3pxnA:
17.66
2xz5E-3pxnA:
17.66
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.
3qk9 MITOCHONDRIAL IMPORT
INNER MEMBRANE
TRANSLOCASE SUBUNIT
TIM44

(Saccharomyces
cerevisiae) 		PF04280
(Tim44) 		4 TYR A 305
VAL A 423
TYR A 325
ILE A 419
 None
 1.24A 2xz5B-3qk9A:
undetectable
2xz5E-3qk9A:
undetectable		 2xz5B-3qk9A:
21.31
2xz5E-3qk9A:
21.31
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.
3qvm OLEI00960

(Oleispira
antarctica) 		PF00561
(Abhydrolase_1) 		4 TYR A  77
VAL A  87
TYR A  61
ILE A 113
 None
 1.30A 2xz5B-3qvmA:
undetectable
2xz5E-3qvmA:
undetectable		 2xz5B-3qvmA:
22.18
2xz5E-3qvmA:
22.18
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.
3qvm OLEI00960

(Oleispira
antarctica) 		PF00561
(Abhydrolase_1) 		4 VAL A  87
TYR A  83
TYR A  61
ILE A 113
 None
 1.34A 2xz5B-3qvmA:
undetectable
2xz5E-3qvmA:
undetectable		 2xz5B-3qvmA:
22.18
2xz5E-3qvmA:
22.18
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.
3rkx BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Staphylococcus
aureus) 		PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		4 TYR A 242
TRP A  67
VAL A  87
TYR A  75
 None
 1.30A 2xz5B-3rkxA:
undetectable
2xz5E-3rkxA:
undetectable		 2xz5B-3rkxA:
20.14
2xz5E-3rkxA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		4 TYR A 658
VAL A 681
TYR A 533
ILE A 749
 None
 1.20A 2xz5B-3s29A:
undetectable
2xz5E-3s29A:
undetectable		 2xz5B-3s29A:
12.27
2xz5E-3s29A:
12.27
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.
3w1s UBIQUITIN-LIKE
PROTEIN ATG12

(Saccharomyces
cerevisiae) 		PF04110
(APG12) 		4 TYR C 149
VAL C 146
TYR C 147
ILE C 134
 None
 1.12A 2xz5B-3w1sC:
undetectable
2xz5E-3w1sC:
undetectable		 2xz5B-3w1sC:
15.60
2xz5E-3w1sC:
15.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdh ACETYLCHOLINE
BINDING PROTEIN

(Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		4 TYR A  89
TRP A 143
TYR A 185
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.1A)
XRS  A 301 (-3.8A)
 0.58A 2xz5B-3zdhA:
25.1
2xz5E-3zdhA:
25.2		 2xz5B-3zdhA:
35.32
2xz5E-3zdhA:
35.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a2i PUTATIVE RIBOSOME
BIOGENESIS GTPASE
RSGA

(Salmonella
enterica) 		PF03193
(RsgA_GTPase) 		4 VAL V 135
TYR V 152
CYH V 156
ILE V 219
 None
 1.23A 2xz5B-4a2iV:
undetectable
2xz5E-4a2iV:
undetectable		 2xz5B-4a2iV:
21.09
2xz5E-4a2iV:
21.09
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.
4b5d CAPITELLA TELETA
ACHBP

(Capitella
teleta) 		PF02931
(Neur_chan_LBD) 		4 TRP A 153
VAL A 154
TYR A 194
TYR A 201
 SW4  A1213 (-4.0A)
SW4  A1213 (-4.5A)
SW4  A1213 ( 3.8A)
SW4  A1213 (-3.7A)
 0.48A 2xz5B-4b5dA:
22.2
2xz5E-4b5dA:
22.1		 2xz5B-4b5dA:
29.88
2xz5E-4b5dA:
29.88
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.
4bg2 PATF

(Prochloron
didemni) 		no annotation 4 TYR A 247
CYH A 298
TYR A 300
ILE A 243
 None
 1.22A 2xz5B-4bg2A:
undetectable
2xz5E-4bg2A:
undetectable		 2xz5B-4bg2A:
19.70
2xz5E-4bg2A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4chc POLYMERASE ACIDIC
PROTEIN

(Thogoto
thogotovirus) 		no annotation 4 TYR A  57
VAL A  98
CYH A 129
ILE A 141
 None
 1.35A 2xz5B-4chcA:
undetectable
2xz5E-4chcA:
undetectable		 2xz5B-4chcA:
21.52
2xz5E-4chcA:
21.52
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.
4e2u PHO RADA INTEIN

(Pyrococcus
horikoshii) 		PF14890
(Intein_splicing) 		4 TYR A   9
VAL A  48
TYR A  51
ILE A 156
 None
 1.32A 2xz5B-4e2uA:
undetectable
2xz5E-4e2uA:
undetectable		 2xz5B-4e2uA:
19.91
2xz5E-4e2uA:
19.91
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.
4gdf LARGE T ANTIGEN

(Macaca mulatta
polyomavirus 1) 		PF02217
(T_Ag_DNA_bind)
PF06431
(Polyoma_lg_T_C) 		4 TYR A 179
VAL A 205
TYR A 211
ILE A 161
 None
 1.21A 2xz5B-4gdfA:
undetectable
2xz5E-4gdfA:
undetectable		 2xz5B-4gdfA:
17.45
2xz5E-4gdfA:
17.45
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		4 TYR A 194
VAL A 170
TYR A 188
ILE A 106
 None
 1.20A 2xz5B-4gfhA:
undetectable
2xz5E-4gfhA:
undetectable		 2xz5B-4gfhA:
10.54
2xz5E-4gfhA:
10.54
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		4 TYR A 119
VAL A 178
TYR A 163
ILE A 123
 None
 1.13A 2xz5B-4gvlA:
undetectable
2xz5E-4gvlA:
undetectable		 2xz5B-4gvlA:
16.59
2xz5E-4gvlA:
16.59
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		4 TYR A 119
VAL A 178
TYR A 163
ILE A 123
 None
 1.22A 2xz5B-4gx0A:
undetectable
2xz5E-4gx0A:
undetectable		 2xz5B-4gx0A:
16.79
2xz5E-4gx0A:
16.79
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.
4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN

(Bacillus
anthracis) 		PF00188
(CAP)
PF14504
(CAP_assoc_N) 		4 VAL A 185
TYR A  96
TYR A 110
ILE A 123
 None
 1.29A 2xz5B-4ifaA:
undetectable
2xz5E-4ifaA:
undetectable		 2xz5B-4ifaA:
19.82
2xz5E-4ifaA:
19.82
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.
4iwb FLIC, FLIS CHIMERA

(Aquifex
aeolicus) 		PF00700
(Flagellin_C)
PF02561
(FliS) 		4 TYR A  66
VAL A  99
TYR A 126
ILE A 146
 None
 1.35A 2xz5B-4iwbA:
undetectable
2xz5E-4iwbA:
undetectable		 2xz5B-4iwbA:
18.43
2xz5E-4iwbA:
18.43
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.
4nf7 ENDO-1,4-BETA-GLUCAN
ASE CEL5C

(Butyrivibrio
proteoclasticus) 		PF00150
(Cellulase) 		4 VAL A 121
TYR A 127
CYH A 128
ILE A  52
 None
 1.27A 2xz5B-4nf7A:
undetectable
2xz5E-4nf7A:
undetectable		 2xz5B-4nf7A:
22.59
2xz5E-4nf7A:
22.59
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.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 VAL A  81
TYR A 136
TYR A 156
ILE A 108
 None
 1.25A 2xz5B-4p5hA:
undetectable
2xz5E-4p5hA:
undetectable		 2xz5B-4p5hA:
20.68
2xz5E-4p5hA:
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.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 4 TYR H 623
VAL H 618
TYR H 620
TYR H 979
 None
 1.32A 2xz5B-4qslH:
undetectable
2xz5E-4qslH:
undetectable		 2xz5B-4qslH:
11.06
2xz5E-4qslH:
11.06
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.
4rhy HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00156
(Pribosyltran) 		4 TYR A 201
VAL A 176
TYR A 183
ILE A  23
 TYR  A 201 ( 1.3A)
VAL  A 176 (-0.6A)
TYR  A 183 ( 1.3A)
ILE  A  23 ( 0.7A)
 1.27A 2xz5B-4rhyA:
undetectable
2xz5E-4rhyA:
undetectable		 2xz5B-4rhyA:
21.70
2xz5E-4rhyA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w8x CRISPR SYSTEM CMR
SUBUNIT CMR1-1

(Pyrococcus
furiosus) 		PF03787
(RAMPs) 		4 VAL A 311
TYR A 245
TYR A 242
ILE A 250
 None
 1.27A 2xz5B-4w8xA:
undetectable
2xz5E-4w8xA:
undetectable		 2xz5B-4w8xA:
20.61
2xz5E-4w8xA:
20.61
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.
4x9q SUPEROXIDE DISMUTASE
[MN] 2,
MITOCHONDRIAL

(Caenorhabditis
elegans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 VAL A 156
TYR A 165
TYR A 161
ILE A 115
 None
 1.14A 2xz5B-4x9qA:
undetectable
2xz5E-4x9qA:
undetectable		 2xz5B-4x9qA:
18.83
2xz5E-4x9qA:
18.83
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.
4y67 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE,
APICOPLAST

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 VAL A 332
TYR A 327
TYR A 406
ILE A 265
 None
 1.30A 2xz5B-4y67A:
undetectable
2xz5E-4y67A:
undetectable		 2xz5B-4y67A:
19.63
2xz5E-4y67A:
19.63
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		4 TYR A 454
VAL A 366
TYR A 207
ILE A 274
 None
 1.30A 2xz5B-4ylrA:
undetectable
2xz5E-4ylrA:
undetectable		 2xz5B-4ylrA:
19.12
2xz5E-4ylrA:
19.12
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.
5coz UNCHARACTERIZED
PROTEIN

([Eubacterium]
rectale) 		no annotation 4 TYR A 168
CYH A 251
TYR A 347
ILE A 380
 None
 1.24A 2xz5B-5cozA:
undetectable
2xz5E-5cozA:
undetectable		 2xz5B-5cozA:
19.76
2xz5E-5cozA:
19.76
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.
5coz UNCHARACTERIZED
PROTEIN

([Eubacterium]
rectale) 		no annotation 4 VAL A 346
CYH A 251
TYR A 347
ILE A 380
 None
 1.30A 2xz5B-5cozA:
undetectable
2xz5E-5cozA:
undetectable		 2xz5B-5cozA:
19.76
2xz5E-5cozA:
19.76
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.
5ewy PUTATIVE
ADP-RIBOSYLTRANSFERA
SE SCABIN

(Streptomyces
scabiei) 		no annotation 4 VAL A 143
TYR A 106
TYR A 115
ILE A 149
 None
 1.18A 2xz5B-5ewyA:
undetectable
2xz5E-5ewyA:
undetectable		 2xz5B-5ewyA:
19.25
2xz5E-5ewyA:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 TYR A 122
TRP A 178
TYR A 219
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
 0.68A 2xz5B-5fjvA:
22.7
2xz5E-5fjvA:
22.7		 2xz5B-5fjvA:
31.39
2xz5E-5fjvA:
31.39
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.
5ftt ADHESION G
PROTEIN-COUPLED
RECEPTOR L3

(Mus musculus) 		PF02140
(Gal_Lectin)
PF02191
(OLF) 		4 TYR C 411
VAL C 354
TYR C 409
ILE C 343
 None
 1.33A 2xz5B-5fttC:
undetectable
2xz5E-5fttC:
undetectable		 2xz5B-5fttC:
20.94
2xz5E-5fttC:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i20 UNCHARACTERIZED
PROTEIN

(Starkeya
novella) 		PF00892
(EamA) 		4 VAL A 242
TYR A  99
TYR A 245
ILE A 105
 None
OLC  A 301 ( 4.8A)
None
None
 1.28A 2xz5B-5i20A:
undetectable
2xz5E-5i20A:
undetectable		 2xz5B-5i20A:
19.67
2xz5E-5i20A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 TYR A 433
VAL A 439
TYR A 411
ILE A 436
 None
 1.32A 2xz5B-5i2gA:
undetectable
2xz5E-5i2gA:
undetectable		 2xz5B-5i2gA:
13.94
2xz5E-5i2gA:
13.94
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.
5kd5 METALLOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		4 TYR A 656
CYH A 659
TYR A 661
ILE A 755
 None
 1.17A 2xz5B-5kd5A:
undetectable
2xz5E-5kd5A:
undetectable		 2xz5B-5kd5A:
17.56
2xz5E-5kd5A:
17.56
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.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 TYR A 100
TRP A 156
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.70A 2xz5B-5kxiA:
24.4
2xz5E-5kxiA:
24.4		 2xz5B-5kxiA:
19.00
2xz5E-5kxiA:
19.00
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.
5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1)
PF00301
(Rubredoxin)
PF00753
(Lactamase_B) 		4 VAL A 229
TYR A 194
CYH A 191
ILE A 238
 None
 1.29A 2xz5B-5lmcA:
undetectable
2xz5E-5lmcA:
undetectable		 2xz5B-5lmcA:
19.22
2xz5E-5lmcA:
19.22
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.
5lwi STRUCTURAL
POLYPROTEIN

(Israeli acute
paralysis virus) 		PF00073
(Rhv) 		4 TYR B 203
VAL B 133
TYR B 196
ILE B 246
 None
 1.35A 2xz5B-5lwiB:
undetectable
2xz5E-5lwiB:
undetectable		 2xz5B-5lwiB:
21.40
2xz5E-5lwiB:
21.40
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.
5mp2 TYPE II SECRETION
SYSTEM PROTEIN D
CAMELID NANOBODY
VHH04

(Pseudomonas
aeruginosa;
Lama glama) 		no annotation
no annotation 		4 TYR C  59
VAL A  90
TYR C  52
ILE A  55
 None
 1.24A 2xz5B-5mp2C:
undetectable
2xz5E-5mp2C:
undetectable		 2xz5B-5mp2C:
undetectable
2xz5E-5mp2C:
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.
5tf2 PROLACTIN REGULATORY
ELEMENT-BINDING
PROTEIN

(Homo sapiens) 		PF00400
(WD40) 		4 TYR A 245
VAL A 302
TYR A 281
CYH A 298
 None
 1.15A 2xz5B-5tf2A:
undetectable
2xz5E-5tf2A:
undetectable		 2xz5B-5tf2A:
17.97
2xz5E-5tf2A:
17.97
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.
5thh TYROSINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		4 TYR A  52
TRP A  40
TYR A  97
ILE A  71
 None
 1.33A 2xz5B-5thhA:
undetectable
2xz5E-5thhA:
undetectable		 2xz5B-5thhA:
21.45
2xz5E-5thhA:
21.45
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.
5tta PUTATIVE EXPORTED
PROTEIN

(Clostridioides
difficile) 		no annotation 4 TYR A 101
CYH A 105
TYR A 160
ILE A  69
 None
 1.27A 2xz5B-5ttaA:
undetectable
2xz5E-5ttaA:
undetectable		 2xz5B-5ttaA:
23.02
2xz5E-5ttaA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 4 VAL A 923
TYR A 904
CYH A 901
ILE A 921
 None
 1.29A 2xz5B-5xgjA:
undetectable
2xz5E-5xgjA:
undetectable		 2xz5B-5xgjA:
undetectable
2xz5E-5xgjA:
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.
5xwb 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Colwellia
psychrerythraea) 		PF00275
(EPSP_synthase) 		4 TYR A 249
VAL A 388
CYH A 409
ILE A 404
 None
 0.98A 2xz5B-5xwbA:
undetectable
2xz5E-5xwbA:
undetectable		 2xz5B-5xwbA:
18.38
2xz5E-5xwbA:
18.38
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.
6beg SCAFFOLD PROTEIN D13

(Vaccinia virus) 		no annotation 4 TYR A 116
CYH A 119
TYR A  92
ILE A 110
 None
 1.24A 2xz5B-6begA:
undetectable
2xz5E-6begA:
undetectable		 2xz5B-6begA:
undetectable
2xz5E-6begA:
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.
6dgc ISC1926 TNPA
C-TERMINAL CATALYTIC
DOMAIN

(Sulfolobus sp.
L00 11) 		no annotation 4 TYR A  98
VAL A 133
TYR A  92
ILE A  69
 None
 1.11A 2xz5B-6dgcA:
undetectable
2xz5E-6dgcA:
undetectable		 2xz5B-6dgcA:
undetectable
2xz5E-6dgcA:
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.
6fqc BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6

(Homo sapiens) 		no annotation 4 TYR A 137
VAL A 176
TYR A 150
ILE A 282
 None
 1.35A 2xz5B-6fqcA:
undetectable
2xz5E-6fqcA:
undetectable		 2xz5B-6fqcA:
undetectable
2xz5E-6fqcA:
undetectable