SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_D_TFPD201

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.
1att ANTITHROMBIN III

(Bos taurus) 		PF00079
(Serpin) 		4 GLY A 340
PHE A 124
PHE A 107
PHE A 109
 None
 1.04A 3ko0D-1attA:
0.4
3ko0E-1attA:
0.3		 3ko0D-1attA:
11.81
3ko0E-1attA:
11.81
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.
1b8g PROTEIN
(1-AMINOCYCLOPROPANE
-1-CARBOXYLATE
SYNTHASE)

(Malus domestica) 		PF00155
(Aminotran_1_2) 		4 GLY A 404
MET A  43
CYH A 409
PHE A 410
 None
 1.05A 3ko0D-1b8gA:
undetectable
3ko0E-1b8gA:
0.0		 3ko0D-1b8gA:
13.21
3ko0E-1b8gA:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d1p TYROSINE PHOSPHATASE

(Saccharomyces
cerevisiae) 		PF01451
(LMWPc) 		4 GLY A 136
CYH A  13
MET A  93
PHE A 151
 None
EPE  A 201 (-3.3A)
None
None
 0.92A 3ko0D-1d1pA:
undetectable
3ko0E-1d1pA:
undetectable		 3ko0D-1d1pA:
23.36
3ko0E-1d1pA:
23.36
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.
1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 119
CYH A  46
PHE A 359
PHE A 140
 None
ZN  A 376 ( 2.3A)
None
None
 0.95A 3ko0D-1d1tA:
undetectable
3ko0E-1d1tA:
undetectable		 3ko0D-1d1tA:
15.01
3ko0E-1d1tA:
15.01
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 GLY A 191
CYH A  45
CYH A 137
PHE A 423
 None
FES  A 909 (-2.3A)
FES  A 908 (-2.3A)
MCN  A 914 (-3.6A)
 1.06A 3ko0D-1dgjA:
undetectable
3ko0E-1dgjA:
0.8		 3ko0D-1dgjA:
7.44
3ko0E-1dgjA:
7.44
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE
CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 GLY B  33
CYH A  47
CYH A 136
PHE B 268
 None
FES  A1908 (-2.2A)
FES  A1907 (-2.3A)
PCD  B1920 (-3.6A)
 0.99A 3ko0D-1ffvB:
undetectable
3ko0E-1ffvB:
0.0		 3ko0D-1ffvB:
8.53
3ko0E-1ffvB:
8.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gan GALECTIN-1

(Rhinella
arenarum) 		PF00337
(Gal-bind_lectin) 		4 GLY A  22
CYH A  17
PHE A 107
PHE A 101
 None
 1.03A 3ko0D-1ganA:
undetectable
3ko0E-1ganA:
undetectable		 3ko0D-1ganA:
17.91
3ko0E-1ganA:
17.91
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.
1jmo HEPARIN COFACTOR II

(Homo sapiens) 		PF00079
(Serpin) 		4 GLY A 394
PHE A 183
PHE A 114
PHE A 164
 None
 1.05A 3ko0D-1jmoA:
undetectable
3ko0E-1jmoA:
undetectable		 3ko0D-1jmoA:
11.67
3ko0E-1jmoA:
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.
1l8f ENDOGLUCANASE

(Melanocarpus
albomyces) 		PF02015
(Glyco_hydro_45) 		4 GLY A 148
PHE A 181
PHE A  93
PHE A 173
 None
 1.08A 3ko0D-1l8fA:
undetectable
3ko0E-1l8fA:
undetectable		 3ko0D-1l8fA:
18.60
3ko0E-1l8fA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		4 GLY A 236
CYH A  31
MET A 102
PHE A 256
 None
 1.03A 3ko0D-1m6yA:
undetectable
3ko0E-1m6yA:
0.0		 3ko0D-1m6yA:
19.30
3ko0E-1m6yA:
19.30
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		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 588
CYH A  48
CYH A 148
PHE A 798
 None
FES  A3002 (-2.3A)
FES  A3001 (-2.3A)
MTE  A3003 (-3.6A)
 1.08A 3ko0D-1n5xA:
undetectable
3ko0E-1n5xA:
0.2		 3ko0D-1n5xA:
5.64
3ko0E-1n5xA:
5.64
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN

(Oligotropha
carboxidovorans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 GLY B  36
CYH A  47
CYH A 137
PHE B 271
 None
FES  A4908 (-2.2A)
FES  A4907 (-2.3A)
MCN  B4920 ( 3.5A)
 0.98A 3ko0D-1n60B:
undetectable
3ko0E-1n60B:
0.0		 3ko0D-1n60B:
8.91
3ko0E-1n60B:
8.91
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 GLY A 970
CYH A 871
PHE A 870
PHE A1174
 None
 0.98A 3ko0D-1ofeA:
undetectable
3ko0E-1ofeA:
undetectable		 3ko0D-1ofeA:
6.25
3ko0E-1ofeA:
6.25
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.
1qnr ENDO-1,4-B-D-MANNANA
SE

(Trichoderma
reesei) 		PF00150
(Cellulase) 		4 GLY A 254
PHE A 237
PHE A 240
PHE A 226
 None
 0.60A 3ko0D-1qnrA:
undetectable
3ko0E-1qnrA:
undetectable		 3ko0D-1qnrA:
13.95
3ko0E-1qnrA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qnr ENDO-1,4-B-D-MANNANA
SE

(Trichoderma
reesei) 		PF00150
(Cellulase) 		4 GLY A 256
PHE A 237
PHE A 240
PHE A 226
 None
 1.02A 3ko0D-1qnrA:
undetectable
3ko0E-1qnrA:
undetectable		 3ko0D-1qnrA:
13.95
3ko0E-1qnrA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qwj CYTIDINE
MONOPHOSPHO-N-ACETYL
NEURAMINIC ACID
SYNTHETASE

(Mus musculus) 		PF02348
(CTP_transf_3) 		4 GLY A 103
PHE A 215
PHE A 217
PHE A  83
 None
 1.08A 3ko0D-1qwjA:
undetectable
3ko0E-1qwjA:
undetectable		 3ko0D-1qwjA:
15.95
3ko0E-1qwjA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 GLY A 163
PHE A 269
PHE A 177
PHE A 521
 None
 0.99A 3ko0D-1r8wA:
0.2
3ko0E-1r8wA:
0.2		 3ko0D-1r8wA:
9.70
3ko0E-1r8wA:
9.70
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 GLY A 280
PHE A 269
PHE A 177
PHE A 521
 None
 0.84A 3ko0D-1r8wA:
0.2
3ko0E-1r8wA:
0.2		 3ko0D-1r8wA:
9.70
3ko0E-1r8wA:
9.70
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 GLY A 375
MET A 627
CYH A 513
PHE A 660
 None
 1.08A 3ko0D-1rw9A:
undetectable
3ko0E-1rw9A:
undetectable		 3ko0D-1rw9A:
8.45
3ko0E-1rw9A:
8.45
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 GLY A 389
MET A 627
CYH A 513
PHE A 660
 None
 0.88A 3ko0D-1rw9A:
undetectable
3ko0E-1rw9A:
undetectable		 3ko0D-1rw9A:
8.45
3ko0E-1rw9A:
8.45
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT

(Thauera
aromatica) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 GLY A  26
CYH C  46
CYH C 135
PHE A 245
 None
FES  C1908 (-2.2A)
FES  C1907 (-2.3A)
PCD  A1920 (-3.4A)
 1.08A 3ko0D-1sb3A:
undetectable
3ko0E-1sb3A:
undetectable		 3ko0D-1sb3A:
7.84
3ko0E-1sb3A:
7.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT

(Pseudomonas
putida) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 GLY B  29
CYH A  53
CYH A 142
PHE B 255
 None
FES  A4908 (-2.3A)
FES  A4907 (-2.4A)
MCN  B4921 ( 3.8A)
 1.05A 3ko0D-1t3qB:
0.6
3ko0E-1t3qB:
0.6		 3ko0D-1t3qB:
7.50
3ko0E-1t3qB:
7.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t84 WISKOTT-ALDRICH
SYNDROME PROTEIN

(Homo sapiens) 		PF00786
(PBD) 		4 GLY A  80
PHE A  17
PHE A  52
PHE A  30
 None
WSK  A 108 (-3.7A)
None
None
 0.99A 3ko0D-1t84A:
undetectable
3ko0E-1t84A:
undetectable		 3ko0D-1t84A:
23.01
3ko0E-1t84A:
23.01
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		4 GLY C 266
PHE C  10
PHE C  12
PHE C 120
 None
 0.88A 3ko0D-1usyC:
undetectable
3ko0E-1usyC:
undetectable		 3ko0D-1usyC:
16.79
3ko0E-1usyC:
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.
1v5s MAP/MICROTUBULE
AFFINITY-REGULATING
KINASE 3

(Mus musculus) 		PF02149
(KA1) 		4 CYH A  55
CYH A  67
PHE A  97
PHE A 107
 None
 0.85A 3ko0D-1v5sA:
undetectable
3ko0E-1v5sA:
undetectable		 3ko0D-1v5sA:
23.26
3ko0E-1v5sA:
23.26
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.
1v5s MAP/MICROTUBULE
AFFINITY-REGULATING
KINASE 3

(Mus musculus) 		PF02149
(KA1) 		4 GLY A 122
CYH A  67
PHE A  97
PHE A 107
 None
 0.89A 3ko0D-1v5sA:
undetectable
3ko0E-1v5sA:
undetectable		 3ko0D-1v5sA:
23.26
3ko0E-1v5sA:
23.26
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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		4 GLY I 339
PHE I 123
PHE I 106
PHE I 108
 None
 0.78A 3ko0D-2b4xI:
undetectable
3ko0E-2b4xI:
undetectable		 3ko0D-2b4xI:
15.12
3ko0E-2b4xI:
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.
2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Homo sapiens) 		PF00698
(Acyl_transf_1) 		4 GLY A 183
PHE A 170
PHE A 219
PHE A 211
 None
 1.01A 3ko0D-2c2nA:
undetectable
3ko0E-2c2nA:
0.3		 3ko0D-2c2nA:
13.91
3ko0E-2c2nA:
13.91
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.
2eng ENDOGLUCANASE V

(Humicola
insolens) 		PF02015
(Glyco_hydro_45) 		4 GLY A 149
PHE A 182
PHE A  94
PHE A 174
 None
 1.04A 3ko0D-2engA:
undetectable
3ko0E-2engA:
undetectable		 3ko0D-2engA:
18.57
3ko0E-2engA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gmi UBIQUITIN-CONJUGATIN
G ENZYME VARIANT
MMS2

(Saccharomyces
cerevisiae) 		PF00179
(UQ_con) 		4 GLY B  43
CYH B  85
PHE B  77
PHE B 137
 None
 1.01A 3ko0D-2gmiB:
undetectable
3ko0E-2gmiB:
undetectable		 3ko0D-2gmiB:
20.15
3ko0E-2gmiB:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hbo HYPOTHETICAL PROTEIN
(NP_422103.1)

(Caulobacter
vibrioides) 		PF03061
(4HBT) 		4 GLY A 122
CYH A  60
MET A  64
PHE A  26
 None
 1.05A 3ko0D-2hboA:
undetectable
3ko0E-2hboA:
undetectable		 3ko0D-2hboA:
18.99
3ko0E-2hboA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hbo HYPOTHETICAL PROTEIN
(NP_422103.1)

(Caulobacter
vibrioides) 		PF03061
(4HBT) 		4 GLY A 134
CYH A  60
MET A  64
PHE A  26
 EDO  A 159 (-3.5A)
None
None
None
 1.05A 3ko0D-2hboA:
undetectable
3ko0E-2hboA:
undetectable		 3ko0D-2hboA:
18.99
3ko0E-2hboA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hdx SH2-B PH DOMAIN
CONTAINING SIGNALING
MEDIATOR 1 GAMMA
ISOFORM

(Mus musculus) 		PF00017
(SH2) 		4 GLY A 524
CYH A 587
MET A 600
PHE A 552
 None
 1.02A 3ko0D-2hdxA:
undetectable
3ko0E-2hdxA:
undetectable		 3ko0D-2hdxA:
21.57
3ko0E-2hdxA:
21.57
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.
2hdx SH2-B PH DOMAIN
CONTAINING SIGNALING
MEDIATOR 1 GAMMA
ISOFORM

(Mus musculus) 		PF00017
(SH2) 		4 GLY A 530
CYH A 587
MET A 600
PHE A 552
 None
 1.04A 3ko0D-2hdxA:
undetectable
3ko0E-2hdxA:
undetectable		 3ko0D-2hdxA:
21.57
3ko0E-2hdxA:
21.57
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.
2mqs MATRIX
METALLOPROTEINASE-14

(Homo sapiens) 		PF00045
(Hemopexin) 		4 GLY A 352
PHE A 390
PHE A 381
PHE A 336
 None
 1.08A 3ko0D-2mqsA:
undetectable
3ko0E-2mqsA:
undetectable		 3ko0D-2mqsA:
24.71
3ko0E-2mqsA:
24.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 GLY A  86
PHE A 100
PHE A  72
PHE A 117
 None
 1.08A 3ko0D-2qy6A:
undetectable
3ko0E-2qy6A:
undetectable		 3ko0D-2qy6A:
18.18
3ko0E-2qy6A:
18.18
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.
2rc5 FERREDOXIN-NADP
REDUCTASE

(Leptospira
interrogans) 		PF00175
(NAD_binding_1) 		4 GLY A 176
CYH A 134
MET A 138
CYH A 139
 None
FAD  A 415 (-4.9A)
None
None
 0.70A 3ko0D-2rc5A:
undetectable
3ko0E-2rc5A:
undetectable		 3ko0D-2rc5A:
16.09
3ko0E-2rc5A:
16.09
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.
2rc5 FERREDOXIN-NADP
REDUCTASE

(Leptospira
interrogans) 		PF00175
(NAD_binding_1) 		4 GLY A 273
CYH A 134
MET A 138
CYH A 139
 None
FAD  A 415 (-4.9A)
None
None
 0.89A 3ko0D-2rc5A:
undetectable
3ko0E-2rc5A:
undetectable		 3ko0D-2rc5A:
16.09
3ko0E-2rc5A:
16.09
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.
2uyd HEMOPHORE HASA

(Serratia
marcescens) 		PF06438
(HasA) 		4 GLY X 138
PHE X  11
PHE X 166
PHE X 115
 None
 1.08A 3ko0D-2uydX:
0.9
3ko0E-2uydX:
0.9		 3ko0D-2uydX:
16.13
3ko0E-2uydX:
16.13
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.
2yfu CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		no annotation 4 GLY A  14
PHE A  77
PHE A 134
PHE A  27
 None
None
None
GOL  A1143 (-4.6A)
 1.05A 3ko0D-2yfuA:
undetectable
3ko0E-2yfuA:
undetectable		 3ko0D-2yfuA:
24.10
3ko0E-2yfuA:
24.10
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 303
MET A 294
PHE A 222
PHE A 174
 MYA  A   1 ( 4.9A)
MYA  A   1 ( 4.6A)
None
MYA  A   1 (-4.8A)
 1.08A 3ko0D-3b96A:
undetectable
3ko0E-3b96A:
undetectable		 3ko0D-3b96A:
12.27
3ko0E-3b96A:
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.
3cea MYO-INOSITOL
2-DEHYDROGENASE

(Lactobacillus
plantarum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLY A  16
MET A 185
PHE A 172
PHE A 169
 NAD  A 400 (-3.3A)
None
NAD  A 400 (-4.4A)
None
 0.98A 3ko0D-3ceaA:
undetectable
3ko0E-3ceaA:
undetectable		 3ko0D-3ceaA:
15.03
3ko0E-3ceaA:
15.03
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 GLY A 191
CYH A  45
CYH A 137
PHE A 421
 None
FES  A 909 (-2.3A)
FES  A 908 (-2.3A)
PCD  A 921 (-3.4A)
 1.08A 3ko0D-3fahA:
undetectable
3ko0E-3fahA:
undetectable		 3ko0D-3fahA:
7.39
3ko0E-3fahA:
7.39
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.
3ii6 DNA LIGASE 4

(Homo sapiens) 		PF00533
(BRCT)
PF11411
(DNA_ligase_IV) 		4 GLY X 866
PHE X 882
PHE X 875
PHE X 886
 None
 0.93A 3ko0D-3ii6X:
undetectable
3ko0E-3ii6X:
undetectable		 3ko0D-3ii6X:
17.36
3ko0E-3ii6X:
17.36
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		4 GLY B 896
CYH B 653
PHE B 644
PHE B 602
 None
 0.94A 3ko0D-3jb9B:
1.9
3ko0E-3jb9B:
undetectable		 3ko0D-3jb9B:
7.07
3ko0E-3jb9B:
7.07
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.
3k17 LIN0012 PROTEIN

(Listeria
innocua) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 GLY A 220
PHE A 264
PHE A 217
PHE A 327
 None
 1.05A 3ko0D-3k17A:
undetectable
3ko0E-3k17A:
undetectable		 3ko0D-3k17A:
14.88
3ko0E-3k17A:
14.88
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.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		4 GLY A 253
CYH A 144
MET A 213
PHE A 360
 None
 0.86A 3ko0D-3k28A:
undetectable
3ko0E-3k28A:
undetectable		 3ko0D-3k28A:
12.53
3ko0E-3k28A:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kyl TELOMERASE REVERSE
TRANSCRIPTASE

(Tribolium
castaneum) 		PF00078
(RVT_1)
PF12009
(Telomerase_RBD) 		5 GLY A 391
CYH A 348
CYH A 233
PHE A 451
PHE A 457
 None
 1.41A 3ko0D-3kylA:
undetectable
3ko0E-3kylA:
undetectable		 3ko0D-3kylA:
10.70
3ko0E-3kylA:
10.70
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		4 GLY A 371
PHE A 437
PHE A 450
PHE A 410
 None
 0.92A 3ko0D-3lvvA:
undetectable
3ko0E-3lvvA:
undetectable		 3ko0D-3lvvA:
10.31
3ko0E-3lvvA:
10.31
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.
3oix DIHYDROOROTATE
OXIDASE
PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		4 GLY A 248
CYH A  25
PHE A  42
PHE A 281
 FMN  A 400 (-3.3A)
MLY  A  45 ( 3.2A)
None
None
 1.00A 3ko0D-3oixA:
undetectable
3ko0E-3oixA:
undetectable		 3ko0D-3oixA:
12.75
3ko0E-3oixA:
12.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvz UDP-N-ACETYLGLUCOSAM
INE 4,6-DEHYDRATASE

(Aliivibrio
fischeri) 		PF02719
(Polysacc_synt_2) 		4 GLY A 153
CYH A 159
CYH A 245
PHE A 247
 None
 0.87A 3ko0D-3pvzA:
undetectable
3ko0E-3pvzA:
1.2		 3ko0D-3pvzA:
13.42
3ko0E-3pvzA:
13.42
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 4 GLY L 145
PHE L 183
PHE L 186
PHE M 408
 None
 1.07A 3ko0D-3rkoL:
undetectable
3ko0E-3rkoL:
undetectable		 3ko0D-3rkoL:
8.96
3ko0E-3rkoL:
8.96
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.
3t5v NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 CYH B  65
PHE B  68
PHE B  90
PHE B  16
 None
 0.93A 3ko0D-3t5vB:
undetectable
3ko0E-3t5vB:
undetectable		 3ko0D-3t5vB:
13.08
3ko0E-3t5vB:
13.08
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.
3tze TRYPTOPHANYL-TRNA
SYNTHETASE

(Encephalitozoon
cuniculi) 		PF00579
(tRNA-synt_1b) 		4 GLY A 201
CYH A 210
PHE A 215
PHE A 169
 None
 0.90A 3ko0D-3tzeA:
undetectable
3ko0E-3tzeA:
undetectable		 3ko0D-3tzeA:
13.90
3ko0E-3tzeA:
13.90
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.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00342
(PGI) 		4 GLY A 157
CYH A 248
PHE A 247
PHE A 216
 G6Q  A 571 ( 3.3A)
None
None
None
 0.89A 3ko0D-3ujhA:
1.8
3ko0E-3ujhA:
1.9		 3ko0D-3ujhA:
9.95
3ko0E-3ujhA:
9.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vgj TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		4 GLY A  62
MET A 259
PHE A 353
PHE A 120
 TYR  A 401 ( 3.3A)
None
None
None
 0.94A 3ko0D-3vgjA:
undetectable
3ko0E-3vgjA:
undetectable		 3ko0D-3vgjA:
15.55
3ko0E-3vgjA:
15.55
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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus) 		PF00150
(Cellulase) 		4 GLY A 287
PHE A 270
PHE A 273
PHE A 259
 None
 0.60A 3ko0D-3wflA:
undetectable
3ko0E-3wflA:
undetectable		 3ko0D-3wflA:
13.24
3ko0E-3wflA:
13.24
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 GLY A 254
PHE A 237
PHE A 240
PHE A 226
 None
 0.65A 3ko0D-3zizA:
undetectable
3ko0E-3zizA:
undetectable		 3ko0D-3zizA:
11.52
3ko0E-3zizA:
11.52
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 GLY A 256
PHE A 237
PHE A 240
PHE A 226
 None
 1.03A 3ko0D-3zizA:
undetectable
3ko0E-3zizA:
undetectable		 3ko0D-3zizA:
11.52
3ko0E-3zizA:
11.52
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.
3zy3 PUTATIVE GDP-FUCOSE
PROTEIN
O-FUCOSYLTRANSFERASE
1

(Caenorhabditis
elegans) 		PF10250
(O-FucT) 		4 GLY A 156
PHE A  54
PHE A 118
PHE A 192
 None
 1.07A 3ko0D-3zy3A:
undetectable
3ko0E-3zy3A:
undetectable		 3ko0D-3zy3A:
16.10
3ko0E-3zy3A:
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.
3zyv AOX3

(Mus musculus) 		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 595
CYH A  52
CYH A 152
PHE A 803
 None
FES  A3002 (-2.3A)
FES  A3001 (-2.2A)
MTE  A3003 (-4.1A)
 1.03A 3ko0D-3zyvA:
undetectable
3ko0E-3zyvA:
undetectable		 3ko0D-3zyvA:
5.92
3ko0E-3zyvA:
5.92
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.
4c1r MANNOSYL-6-PHOSPHATA
SE

(Bacteroides
thetaiotaomicron) 		PF03372
(Exo_endo_phos) 		4 GLY A 119
PHE A 309
PHE A 147
PHE A 156
 None
 1.06A 3ko0D-4c1rA:
undetectable
3ko0E-4c1rA:
undetectable		 3ko0D-4c1rA:
17.81
3ko0E-4c1rA:
17.81
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.
4dw1 P2X PURINOCEPTOR

(Danio rerio) 		PF00864
(P2X_receptor) 		4 GLY A 253
PHE A 233
PHE A 322
PHE A 102
 None
 0.90A 3ko0D-4dw1A:
undetectable
3ko0E-4dw1A:
undetectable		 3ko0D-4dw1A:
13.78
3ko0E-4dw1A:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fch OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		4 GLY A 289
PHE A 314
PHE A 379
PHE A 340
 None
 0.96A 3ko0D-4fchA:
undetectable
3ko0E-4fchA:
undetectable		 3ko0D-4fchA:
15.07
3ko0E-4fchA:
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.
4fe9 OUTER MEMBRANE
PROTEIN SUSF

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE)
PF17142
(DUF5115) 		4 GLY A 389
PHE A 416
PHE A 477
PHE A 446
 None
None
EDO  A 511 ( 4.9A)
None
 1.04A 3ko0D-4fe9A:
undetectable
3ko0E-4fe9A:
undetectable		 3ko0D-4fe9A:
11.54
3ko0E-4fe9A:
11.54
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.
4fem OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		4 GLY A 289
PHE A 314
PHE A 379
PHE A 340
 None
 0.94A 3ko0D-4femA:
undetectable
3ko0E-4femA:
undetectable		 3ko0D-4femA:
15.73
3ko0E-4femA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ga7 LEUKOCYTE ELASTASE
INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		4 GLY A 292
PHE A  70
PHE A  58
PHE A  60
 None
 0.98A 3ko0D-4ga7A:
undetectable
3ko0E-4ga7A:
undetectable		 3ko0D-4ga7A:
14.47
3ko0E-4ga7A:
14.47
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		4 GLY A 156
CYH A 378
PHE A 419
PHE A 144
 None
 1.02A 3ko0D-4issA:
undetectable
3ko0E-4issA:
undetectable		 3ko0D-4issA:
9.94
3ko0E-4issA:
9.94
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.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		4 GLY A 343
PHE A 352
PHE A 277
PHE A 285
 None
 1.07A 3ko0D-4jreA:
1.3
3ko0E-4jreA:
1.2		 3ko0D-4jreA:
12.10
3ko0E-4jreA:
12.10
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.
4kw7 ARSENIC
METHYLTRANSFERASE

(Cyanidioschyzon
sp. 5508) 		PF13847
(Methyltransf_31) 		4 GLY A 252
CYH A 224
PHE A 186
PHE A 201
 None
PA0  A 403 (-2.2A)
None
None
 1.04A 3ko0D-4kw7A:
undetectable
3ko0E-4kw7A:
undetectable		 3ko0D-4kw7A:
15.30
3ko0E-4kw7A:
15.30
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.
4rcm METHYLATED
RNA-BINDING PROTEIN
1

(Saccharomyces
cerevisiae) 		PF04146
(YTH) 		4 GLY A 175
CYH A 213
PHE A 212
PHE A 290
 UNX  A 405 ( 4.2A)
None
None
None
 1.06A 3ko0D-4rcmA:
undetectable
3ko0E-4rcmA:
undetectable		 3ko0D-4rcmA:
22.02
3ko0E-4rcmA:
22.02
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		4 GLY A 409
MET A 420
PHE A 425
PHE A 151
 None
 1.07A 3ko0D-4rp8A:
0.1
3ko0E-4rp8A:
0.8		 3ko0D-4rp8A:
11.02
3ko0E-4rp8A:
11.02
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.
4u8h CRYPTOCHROME-2

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 GLY A 386
CYH A 333
PHE A 423
PHE A 427
 None
 1.06A 3ko0D-4u8hA:
undetectable
3ko0E-4u8hA:
undetectable		 3ko0D-4u8hA:
11.93
3ko0E-4u8hA:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u8t ZYRO0G01672P

(Zygosaccharomyces
rouxii) 		PF04146
(YTH) 		4 GLY A 198
CYH A 236
PHE A 235
PHE A 313
 None
 0.99A 3ko0D-4u8tA:
undetectable
3ko0E-4u8tA:
undetectable		 3ko0D-4u8tA:
19.21
3ko0E-4u8tA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		4 GLY A 251
MET A  23
CYH A  24
PHE A 283
 FMN  A 401 (-3.5A)
None
None
None
 1.08A 3ko0D-4wzhA:
undetectable
3ko0E-4wzhA:
undetectable		 3ko0D-4wzhA:
15.11
3ko0E-4wzhA:
15.11
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		4 GLY A  63
MET A 107
PHE A 201
PHE A 138
 None
 0.96A 3ko0D-4x5sA:
undetectable
3ko0E-4x5sA:
undetectable		 3ko0D-4x5sA:
19.90
3ko0E-4x5sA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xdq GLYCOSIDE HYDROLASE
FAMILY PROTEIN

(Mycolicibacterium
thermoresistibile) 		PF00722
(Glyco_hydro_16) 		4 GLY A 192
PHE A 147
PHE A 195
PHE A 206
 None
 0.88A 3ko0D-4xdqA:
undetectable
3ko0E-4xdqA:
undetectable		 3ko0D-4xdqA:
14.87
3ko0E-4xdqA:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		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 588
CYH A  48
CYH A 147
PHE A 798
 None
FES  A3002 (-2.2A)
FES  A3001 (-2.3A)
None
 1.05A 3ko0D-4yswA:
undetectable
3ko0E-4yswA:
undetectable		 3ko0D-4yswA:
6.15
3ko0E-4yswA:
6.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 GLY A  18
CYH C  52
CYH C 141
PHE A 215
 None
FES  C 201 (-2.1A)
FES  C 202 (-2.3A)
MCN  A 801 (-3.5A)
 1.08A 3ko0D-4zohA:
undetectable
3ko0E-4zohA:
undetectable		 3ko0D-4zohA:
8.96
3ko0E-4zohA:
8.96
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.
5cvz COAT PROTEIN

(Panicum
papanivirus 1) 		no annotation 4 GLY A  51
PHE A  39
PHE A  60
PHE A 147
 None
 0.84A 3ko0D-5cvzA:
undetectable
3ko0E-5cvzA:
undetectable		 3ko0D-5cvzA:
16.77
3ko0E-5cvzA:
16.77
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.
5ei0 SERPIN A12

(Homo sapiens) 		PF00079
(Serpin) 		4 GLY A 327
PHE A 116
PHE A 102
PHE A 104
 None
 0.83A 3ko0D-5ei0A:
undetectable
3ko0E-5ei0A:
undetectable		 3ko0D-5ei0A:
13.45
3ko0E-5ei0A:
13.45
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.
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 595
CYH A  49
CYH A 149
PHE A 807
 None
FES  A3002 (-2.2A)
FES  A3001 (-2.1A)
MTE  A3003 (-3.7A)
 1.04A 3ko0D-5epgA:
undetectable
3ko0E-5epgA:
undetectable		 3ko0D-5epgA:
5.58
3ko0E-5epgA:
5.58
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.
5f1c PUTATIVE
UNCHARACTERIZED
PROTEIN

(Amblyomma
maculatum) 		PF00864
(P2X_receptor) 		4 GLY A 270
PHE A 250
PHE A 333
PHE A 110
 None
 0.98A 3ko0D-5f1cA:
undetectable
3ko0E-5f1cA:
undetectable		 3ko0D-5f1cA:
12.78
3ko0E-5f1cA:
12.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f2o FATTY ACID
O-METHYLTRANSFERASE

(Mycobacterium
marinum) 		PF03492
(Methyltransf_7) 		4 GLY A  64
PHE A 274
PHE A 268
PHE A 195
 SAH  A 400 (-3.8A)
None
None
None
 1.07A 3ko0D-5f2oA:
undetectable
3ko0E-5f2oA:
undetectable		 3ko0D-5f2oA:
13.62
3ko0E-5f2oA:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A 156
CYH A 378
PHE A 419
PHE A 144
 None
 1.03A 3ko0D-5i8iA:
undetectable
3ko0E-5i8iA:
undetectable		 3ko0D-5i8iA:
4.13
3ko0E-5i8iA:
4.13
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 GLY A 136
CYH A  92
PHE A  82
PHE A 120
 None
 1.07A 3ko0D-5ihrA:
undetectable
3ko0E-5ihrA:
undetectable		 3ko0D-5ihrA:
6.99
3ko0E-5ihrA:
6.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mdx PHOTOSYSTEM II CP43
REACTION CENTER
PROTEIN
PHOTOSYSTEM II
PROTEIN D1

(Arabidopsis
thaliana) 		PF00124
(Photo_RC)
PF00421
(PSII) 		4 GLY A  90
CYH C 287
PHE C 289
PHE C 292
 None
None
CLA  C 503 (-3.5A)
None
 1.06A 3ko0D-5mdxA:
0.1
3ko0E-5mdxA:
undetectable		 3ko0D-5mdxA:
16.93
3ko0E-5mdxA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		5 GLY A 660
CYH A 671
PHE A 562
PHE A 626
PHE A 595
 None
 1.44A 3ko0D-5mqmA:
undetectable
3ko0E-5mqmA:
undetectable		 3ko0D-5mqmA:
6.60
3ko0E-5mqmA:
6.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzh DYNEIN ASSEMBLY
FACTOR WITH WDR
REPEAT DOMAINS 1

(Chlamydomonas
reinhardtii) 		PF00400
(WD40) 		4 GLY A 112
PHE A  87
PHE A 109
PHE A 102
 None
 0.96A 3ko0D-5mzhA:
undetectable
3ko0E-5mzhA:
undetectable		 3ko0D-5mzhA:
12.61
3ko0E-5mzhA:
12.61
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 5 GLY B 298
PHE B 317
PHE B 314
PHE B 301
PHE B 332
 None
 1.37A 3ko0D-5swiB:
undetectable
3ko0E-5swiB:
undetectable		 3ko0D-5swiB:
10.84
3ko0E-5swiB:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 GLY B 361
PHE B 270
PHE B  33
PHE B 328
 None
 1.07A 3ko0D-5swiB:
undetectable
3ko0E-5swiB:
undetectable		 3ko0D-5swiB:
10.84
3ko0E-5swiB:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE B 301
PHE B 332
PHE B 317
PHE B 314
 None
 1.06A 3ko0D-5swiB:
undetectable
3ko0E-5swiB:
undetectable		 3ko0D-5swiB:
10.84
3ko0E-5swiB:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		4 GLY A 249
PHE A 229
PHE A 317
PHE A 102
 None
 0.85A 3ko0D-5u1wA:
undetectable
3ko0E-5u1wA:
undetectable		 3ko0D-5u1wA:
12.43
3ko0E-5u1wA:
12.43
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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		4 GLY A 264
PHE A 233
PHE A 272
PHE A 276
 None
 1.07A 3ko0D-5u22A:
undetectable
3ko0E-5u22A:
undetectable		 3ko0D-5u22A:
12.77
3ko0E-5u22A:
12.77
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 GLY A 135
CYH A 164
PHE A 367
PHE A 428
PHE A 420
 None
GLY  A 951 (-4.7A)
None
None
None
 1.24A 3ko0D-5x2qA:
undetectable
3ko0E-5x2qA:
undetectable		 3ko0D-5x2qA:
12.11
3ko0E-5x2qA:
12.11
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.
5xw6 P2X PURINOCEPTOR

(Gallus gallus) 		no annotation 4 GLY C 237
PHE C 217
PHE C 304
PHE C  90
 None
 0.95A 3ko0D-5xw6C:
undetectable
3ko0E-5xw6C:
undetectable		 3ko0D-5xw6C:
13.15
3ko0E-5xw6C:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 4 GLY C  49
CYH A  48
CYH A 138
PHE C 262
 None
FES  A 201 (-2.2A)
FES  A 202 (-2.2A)
MCN  C 802 (-3.3A)
 1.04A 3ko0D-5y6qC:
undetectable
3ko0E-5y6qC:
undetectable		 3ko0D-5y6qC:
20.00
3ko0E-5y6qC:
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.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 4 GLY A 108
PHE A 224
PHE A 115
PHE A 148
 None
 1.05A 3ko0D-6b0kA:
undetectable
3ko0E-6b0kA:
undetectable		 3ko0D-6b0kA:
19.61
3ko0E-6b0kA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c5x SUPPRESSOR OF
CYTOKINE SIGNALLING
1

(Xenopus laevis) 		no annotation 4 GLY D  99
PHE D 209
PHE D 207
PHE D  79
 None
 1.01A 3ko0D-6c5xD:
undetectable
3ko0E-6c5xD:
undetectable		 3ko0D-6c5xD:
21.78
3ko0E-6c5xD:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fj4 ENDO-1,4-BETA-XYLANA
SE Y

(Ruminiclostridium
thermocellum) 		no annotation 4 GLY A 865
PHE A1011
PHE A1074
PHE A 860
 SEP  A 954 ( 3.7A)
None
None
None
 0.87A 3ko0D-6fj4A:
undetectable
3ko0E-6fj4A:
undetectable		 3ko0D-6fj4A:
17.27
3ko0E-6fj4A:
17.27