SIMILAR PATTERNS OF AMINO ACIDS FOR 3U52_A_CUA515_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bxk PROTEIN
(DTDP-GLUCOSE
4,6-DEHYDRATASE)

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		3 HIS A  80
HIS A 131
ILE A 132
 None
None
NAD  A 380 (-4.8A)
 0.83A 3u52A-1bxkA:
0.0
3u52C-1bxkA:
undetectable		 3u52A-1bxkA:
20.97
3u52C-1bxkA:
19.80
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.
1cf2 PROTEIN
(GLYCERALDEHYDE-3-PH
OSPHATE
DEHYDROGENASE)

(Methanothermus
fervidus) 		no annotation 3 HIS P 219
HIS P 221
ILE P 165
 None
 0.82A 3u52A-1cf2P:
undetectable
3u52C-1cf2P:
0.0		 3u52A-1cf2P:
20.70
3u52C-1cf2P:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e1h BOTULINUM NEUROTOXIN
TYPE A LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 HIS A 226
HIS A 229
ILE A 225
 ZN  A 501 ( 3.4A)
None
None
 0.83A 3u52A-1e1hA:
0.0
3u52C-1e1hA:
0.0		 3u52A-1e1hA:
19.46
3u52C-1e1hA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f89 32.5 KDA PROTEIN
YLR351C

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		3 HIS A 237
HIS A 205
ILE A 239
 None
 0.69A 3u52A-1f89A:
0.0
3u52C-1f89A:
undetectable		 3u52A-1f89A:
18.00
3u52C-1f89A:
22.80
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.
1g1a DTDP-D-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		3 HIS A  79
HIS A 130
ILE A 131
 None
 0.80A 3u52A-1g1aA:
0.0
3u52C-1g1aA:
undetectable		 3u52A-1g1aA:
21.47
3u52C-1g1aA:
22.31
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.
1kcf HYPOTHETICAL 30.2 KD
PROTEIN C25G10.02 IN
CHROMOSOME I

(Schizosaccharomyces
pombe) 		PF09159
(Ydc2-catalyt) 		3 HIS A 146
HIS A 106
ILE A 114
 None
 0.80A 3u52A-1kcfA:
undetectable
3u52C-1kcfA:
0.0		 3u52A-1kcfA:
18.75
3u52C-1kcfA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		3 HIS A  57
HIS A  61
ILE A 404
 None
 0.82A 3u52A-1mlzA:
0.0
3u52C-1mlzA:
undetectable		 3u52A-1mlzA:
21.80
3u52C-1mlzA:
21.15
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.
1pvt SUGAR-PHOSPHATE
ALDOLASE

(Thermotoga
maritima) 		PF00596
(Aldolase_II) 		3 HIS A 104
HIS A 108
ILE A 107
 None
 0.70A 3u52A-1pvtA:
0.0
3u52C-1pvtA:
0.0		 3u52A-1pvtA:
16.47
3u52C-1pvtA:
22.75
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.
1q47 SEMAPHORIN 3A

(Mus musculus) 		PF01403
(Sema) 		3 HIS A 209
HIS A 208
ILE A 211
 None
 0.80A 3u52A-1q47A:
0.0
3u52C-1q47A:
undetectable		 3u52A-1q47A:
21.42
3u52C-1q47A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		3 HIS A 241
HIS A 234
ILE A 188
 None
SO4  A 801 (-3.9A)
None
 0.86A 3u52A-1q8yA:
undetectable
3u52C-1q8yA:
0.1		 3u52A-1q8yA:
18.61
3u52C-1q8yA:
20.82
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.
1u8s GLYCINE CLEAVAGE
SYSTEM
TRANSCRIPTIONAL
REPRESSOR, PUTATIVE

(Vibrio cholerae) 		PF13740
(ACT_6) 		3 HIS A  87
HIS A  85
ILE A  35
 None
 0.71A 3u52A-1u8sA:
undetectable
3u52C-1u8sA:
0.0		 3u52A-1u8sA:
17.17
3u52C-1u8sA:
19.94
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.
1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE

(Escherichia
coli) 		PF00171
(Aldedh) 		3 HIS A 235
HIS A 231
ILE A 232
 None
NAI  A1001 (-3.9A)
None
 0.85A 3u52A-1wnbA:
undetectable
3u52C-1wnbA:
undetectable		 3u52A-1wnbA:
20.54
3u52C-1wnbA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c07 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		3 HIS A  89
HIS A 138
ILE A  91
 None
 0.79A 3u52A-2c07A:
undetectable
3u52C-2c07A:
undetectable		 3u52A-2c07A:
20.08
3u52C-2c07A:
19.66
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		3 HIS A 326
HIS A 322
ILE A 323
 None
 0.58A 3u52A-2eaeA:
undetectable
3u52C-2eaeA:
undetectable		 3u52A-2eaeA:
19.89
3u52C-2eaeA:
16.31
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.
2i05 DNA REPLICATION
TERMINUS
SITE-BINDING PROTEIN

(Escherichia
coli) 		PF05472
(Ter) 		3 HIS A 116
HIS A 113
ILE A 117
 None
 0.71A 3u52A-2i05A:
undetectable
3u52C-2i05A:
undetectable		 3u52A-2i05A:
21.35
3u52C-2i05A:
22.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2inp PHENOL HYDROXYLASE
COMPONENT PHN
PHENOL HYDROXYLASE
COMPONENT PHL

(Pseudomonas
stutzeri;
Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS)
PF02332
(Phenol_Hydrox) 		3 HIS A 155
HIS A 494
ILE C  13
 None
 0.45A 3u52A-2inpA:
64.0
3u52C-2inpA:
22.6		 3u52A-2inpA:
100.00
3u52C-2inpA:
20.24
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.
2kcv TETRATRICOPEPTIDE
REPEAT DOMAIN
PROTEIN

(Salinibacter
ruber) 		PF14559
(TPR_19) 		3 HIS A  99
HIS A  97
ILE A  60
 None
 0.83A 3u52A-2kcvA:
undetectable
3u52C-2kcvA:
undetectable		 3u52A-2kcvA:
13.05
3u52C-2kcvA:
15.62
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.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		3 HIS A  87
HIS A  66
ILE A  76
 None
 0.74A 3u52A-2o1xA:
undetectable
3u52C-2o1xA:
undetectable		 3u52A-2o1xA:
21.65
3u52C-2o1xA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2opc AVRL567-A

(Melampsora lini) 		PF11529
(AvrL567-A) 		3 HIS A  88
HIS A 129
ILE A  86
 None
 0.86A 3u52A-2opcA:
undetectable
3u52C-2opcA:
undetectable		 3u52A-2opcA:
12.23
3u52C-2opcA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvt AVRL567-D

(Melampsora lini) 		PF11529
(AvrL567-A) 		3 HIS A  88
HIS A 129
ILE A  86
 None
 0.86A 3u52A-2qvtA:
undetectable
3u52C-2qvtA:
undetectable		 3u52A-2qvtA:
14.17
3u52C-2qvtA:
19.08
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 HIS A 358
HIS A 356
ILE A 410
 None
 0.83A 3u52A-2vqdA:
undetectable
3u52C-2vqdA:
undetectable		 3u52A-2vqdA:
22.52
3u52C-2vqdA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		3 HIS A 428
HIS A 432
ILE A 431
 None
 0.62A 3u52A-2xdrA:
undetectable
3u52C-2xdrA:
undetectable		 3u52A-2xdrA:
21.72
3u52C-2xdrA:
21.13
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.
2xs6 PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT BETA

(Homo sapiens) 		PF00620
(RhoGAP) 		3 HIS A 145
HIS A 228
ILE A 174
 None
 0.70A 3u52A-2xs6A:
undetectable
3u52C-2xs6A:
undetectable		 3u52A-2xs6A:
13.70
3u52C-2xs6A:
20.36
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.
2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		3 HIS A  79
HIS A 177
ILE A  80
 None
 0.74A 3u52A-2y7jA:
undetectable
3u52C-2y7jA:
undetectable		 3u52A-2y7jA:
21.22
3u52C-2y7jA:
23.12
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.
2ys3 UNC-112-RELATED
PROTEIN 2

(Homo sapiens) 		PF00169
(PH) 		3 HIS A  31
HIS A  14
ILE A  17
 None
 0.84A 3u52A-2ys3A:
undetectable
3u52C-2ys3A:
undetectable		 3u52A-2ys3A:
11.88
3u52C-2ys3A:
18.37
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.
2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Aquifex
aeolicus) 		PF00551
(Formyl_trans_N) 		3 HIS A 109
HIS A 138
ILE A 113
 CO  A 704 (-3.3A)
None
None
 0.75A 3u52A-2ywrA:
undetectable
3u52C-2ywrA:
undetectable		 3u52A-2ywrA:
16.99
3u52C-2ywrA:
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.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		3 HIS A 154
HIS A   5
ILE A 104
 FE  A 502 (-3.4A)
FE  A 503 (-3.5A)
None
 0.66A 3u52A-2z4gA:
undetectable
3u52C-2z4gA:
undetectable		 3u52A-2z4gA:
19.81
3u52C-2z4gA:
21.87
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.
3ak8 DNA PROTECTION
DURING STARVATION
PROTEIN

(Salmonella
enterica) 		PF00210
(Ferritin) 		3 HIS A 112
HIS A 117
ILE A 111
 None
 0.71A 3u52A-3ak8A:
6.5
3u52C-3ak8A:
5.1		 3u52A-3ak8A:
16.01
3u52C-3ak8A:
20.66
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.
3ax6 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Thermotoga
maritima) 		PF02222
(ATP-grasp) 		3 HIS A 267
HIS A 331
ILE A 270
 None
 0.80A 3u52A-3ax6A:
undetectable
3u52C-3ax6A:
undetectable		 3u52A-3ax6A:
19.25
3u52C-3ax6A:
20.59
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.
3b6u KINESIN-LIKE PROTEIN
KIF3B

(Homo sapiens) 		PF00225
(Kinesin) 		3 HIS A 129
HIS A 125
ILE A 126
 None
 0.79A 3u52A-3b6uA:
undetectable
3u52C-3b6uA:
undetectable		 3u52A-3b6uA:
19.22
3u52C-3b6uA:
20.77
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.
3ccy PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Bordetella
parapertussis) 		PF00440
(TetR_N) 		3 HIS A 106
HIS A  66
ILE A  98
 None
 0.82A 3u52A-3ccyA:
undetectable
3u52C-3ccyA:
undetectable		 3u52A-3ccyA:
17.49
3u52C-3ccyA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dkp PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX52

(Homo sapiens) 		PF00270
(DEAD) 		3 HIS A 266
HIS A 251
ILE A 265
 None
 0.76A 3u52A-3dkpA:
undetectable
3u52C-3dkpA:
undetectable		 3u52A-3dkpA:
18.95
3u52C-3dkpA:
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.
3dse BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 HIS A 227
HIS A 230
ILE A 226
 ZN  A 501 (-3.3A)
None
None
 0.85A 3u52A-3dseA:
undetectable
3u52C-3dseA:
undetectable		 3u52A-3dseA:
21.73
3u52C-3dseA:
20.56
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.
3eq1 PORPHOBILINOGEN
DEAMINASE

(Homo sapiens) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		3 HIS A 207
HIS A 120
ILE A 205
 None
SO4  A 363 (-3.8A)
None
 0.85A 3u52A-3eq1A:
undetectable
3u52C-3eq1A:
undetectable		 3u52A-3eq1A:
21.33
3u52C-3eq1A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ggg PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		no annotation 3 HIS D 147
HIS D 205
ILE D 171
 NAD  D6686 ( 4.9A)
None
None
 0.83A 3u52A-3gggD:
undetectable
3u52C-3gggD:
undetectable		 3u52A-3gggD:
20.58
3u52C-3gggD:
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.
3hva PROTEIN FIMX

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		3 HIS A 411
HIS A 305
ILE A 349
 None
 0.84A 3u52A-3hvaA:
undetectable
3u52C-3hvaA:
undetectable		 3u52A-3hvaA:
15.98
3u52C-3hvaA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k3q BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 HIS B 227
HIS B 230
ILE B 226
 ZN  B 251 (-3.3A)
None
None
 0.85A 3u52A-3k3qB:
undetectable
3u52C-3k3qB:
undetectable		 3u52A-3k3qB:
18.29
3u52C-3k3qB:
22.38
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.
3krt CROTONYL COA
REDUCTASE

(Streptomyces
coelicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 HIS A 439
HIS A 198
ILE A 443
 None
 0.84A 3u52A-3krtA:
undetectable
3u52C-3krtA:
undetectable		 3u52A-3krtA:
21.82
3u52C-3krtA:
22.55
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.
3l8r PUTATIVE PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIA COMPONENT

(Streptococcus
mutans) 		PF02255
(PTS_IIA) 		3 HIS A  82
HIS A  78
ILE A  14
 None
 0.62A 3u52A-3l8rA:
undetectable
3u52C-3l8rA:
3.1		 3u52A-3l8rA:
13.04
3u52C-3l8rA:
17.99
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.
3ln6 GLUTATHIONE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
GSHAB

(Streptococcus
agalactiae) 		PF01071
(GARS_A)
PF04262
(Glu_cys_ligase) 		3 HIS A  94
HIS A 410
ILE A  92
 None
 0.74A 3u52A-3ln6A:
undetectable
3u52C-3ln6A:
undetectable		 3u52A-3ln6A:
21.32
3u52C-3ln6A:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3luq SENSOR PROTEIN

(Geobacter
sulfurreducens) 		PF08448
(PAS_4) 		3 HIS A 134
HIS A 149
ILE A 141
 None
 0.78A 3u52A-3luqA:
undetectable
3u52C-3luqA:
undetectable		 3u52A-3luqA:
16.19
3u52C-3luqA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n2e SHIKIMATE KINASE

(Helicobacter
pylori) 		PF01202
(SKI) 		3 HIS A  74
HIS A   3
ILE A  76
 None
 0.77A 3u52A-3n2eA:
undetectable
3u52C-3n2eA:
undetectable		 3u52A-3n2eA:
16.14
3u52C-3n2eA:
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.
3pin PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Saccharomyces
cerevisiae) 		PF01625
(PMSR) 		3 HIS B 100
HIS B 179
ILE B  99
 None
 0.83A 3u52A-3pinB:
undetectable
3u52C-3pinB:
undetectable		 3u52A-3pinB:
16.67
3u52C-3pinB:
23.42
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.
3s35 6.64 FAB HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 HIS H  99
HIS H  35
ILE H  33
 None
 0.68A 3u52A-3s35H:
undetectable
3u52C-3s35H:
undetectable		 3u52A-3s35H:
19.60
3u52C-3s35H:
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		3 HIS A 150
HIS A  75
ILE A 152
 None
ZN  A 600 (-4.8A)
None
 0.78A 3u52A-3t3oA:
undetectable
3u52C-3t3oA:
undetectable		 3u52A-3t3oA:
20.50
3u52C-3t3oA:
20.64
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.
3tdw GENTAMICIN
RESISTANCE PROTEIN

(Enterococcus
gallinarum) 		PF01636
(APH) 		3 HIS A 201
HIS A 194
ILE A 216
 MG  A 501 ( 3.4A)
None
None
 0.81A 3u52A-3tdwA:
undetectable
3u52C-3tdwA:
undetectable		 3u52A-3tdwA:
21.28
3u52C-3tdwA:
21.73
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.
3zdf GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Thermosynechococcus
elongatus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 HIS A 276
HIS A 290
ILE A 295
 None
 0.86A 3u52A-3zdfA:
undetectable
3u52C-3zdfA:
undetectable		 3u52A-3zdfA:
19.70
3u52C-3zdfA:
23.69
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.
3zus BOTULINUM NEUROTOXIN
TYPE A,
SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 23

(Clostridium
botulinum;
Homo sapiens) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		3 HIS A 227
HIS A 230
ILE A 226
 ZN  A1916 (-3.3A)
None
None
 0.86A 3u52A-3zusA:
undetectable
3u52C-3zusA:
undetectable		 3u52A-3zusA:
21.29
3u52C-3zusA:
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		3 HIS A  43
HIS A 214
ILE A  48
 DLZ  A1511 ( 3.9A)
None
DLZ  A1511 ( 4.6A)
 0.82A 3u52A-3zxsA:
undetectable
3u52C-3zxsA:
undetectable		 3u52A-3zxsA:
18.66
3u52C-3zxsA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b28 METALLOPEPTIDASE,
FAMILY M24, PUTATIVE

(Roseobacter
denitrificans) 		PF00557
(Peptidase_M24) 		3 HIS A 333
HIS A 329
ILE A 409
 None
 0.75A 3u52A-4b28A:
undetectable
3u52C-4b28A:
undetectable		 3u52A-4b28A:
21.00
3u52C-4b28A:
20.99
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.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		3 HIS A 187
HIS A 189
ILE A 194
 None
 0.66A 3u52A-4bc7A:
undetectable
3u52C-4bc7A:
undetectable		 3u52A-4bc7A:
19.09
3u52C-4bc7A:
20.06
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.
4bhv PHOSPHOPROTEIN

(Measles
morbillivirus) 		PF03210
(Paramyx_P_V_C) 		3 HIS A 361
HIS A 363
ILE A 360
 ACT  A1064 (-3.5A)
ACT  A1064 ( 4.8A)
None
 0.80A 3u52A-4bhvA:
undetectable
3u52C-4bhvA:
undetectable		 3u52A-4bhvA:
8.41
3u52C-4bhvA:
8.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckv VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		no annotation 3 HIS X 147
HIS X 223
ILE X 145
 ZN  X1226 (-3.4A)
ZN  X1226 (-3.3A)
None
 0.79A 3u52A-4ckvX:
undetectable
3u52C-4ckvX:
undetectable		 3u52A-4ckvX:
12.74
3u52C-4ckvX:
13.64
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.
4cti OSMOLARITY SENSOR
PROTEIN ENVZ, AF1503

(Escherichia
coli;
Archaeoglobus
fulgidus) 		PF00512
(HisKA)
PF00672
(HAMP)
PF02518
(HATPase_c) 		3 HIS A 432
HIS A 515
ILE A 436
 None
 0.77A 3u52A-4ctiA:
undetectable
3u52C-4ctiA:
undetectable		 3u52A-4ctiA:
21.06
3u52C-4ctiA:
22.07
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.
4er8 TNPAREP FOR PROTEIN

(Escherichia
coli) 		no annotation 3 HIS A 101
HIS A 112
ILE A 103
 None
 0.81A 3u52A-4er8A:
undetectable
3u52C-4er8A:
undetectable		 3u52A-4er8A:
14.31
3u52C-4er8A:
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.
4fr4 SERINE/THREONINE-PRO
TEIN KINASE 32A

(Homo sapiens) 		PF00069
(Pkinase) 		3 HIS A 157
HIS A 159
ILE A 295
 None
 0.78A 3u52A-4fr4A:
undetectable
3u52C-4fr4A:
undetectable		 3u52A-4fr4A:
18.38
3u52C-4fr4A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 HIS A  89
HIS A  60
ILE A  90
 None
 0.85A 3u52A-4gaxA:
undetectable
3u52C-4gaxA:
1.9		 3u52A-4gaxA:
21.52
3u52C-4gaxA:
20.57
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		3 HIS A 154
HIS A   9
ILE A 105
 ZN  A 301 ( 3.3A)
ZN  A 303 (-3.3A)
None
 0.60A 3u52A-4gk8A:
undetectable
3u52C-4gk8A:
undetectable		 3u52A-4gk8A:
21.28
3u52C-4gk8A:
20.95
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.
4is8 NUCLEAR RECEPTOR
SUBFAMILY 5 GROUP A
MEMBER 2

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 HIS A 537
HIS A 521
ILE A 533
 None
 0.85A 3u52A-4is8A:
undetectable
3u52C-4is8A:
undetectable		 3u52A-4is8A:
15.86
3u52C-4is8A:
22.81
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.
4j1l TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27) 		3 HIS A 237
HIS A 240
ILE A 236
 ZN  A 501 (-3.3A)
None
None
 0.86A 3u52A-4j1lA:
undetectable
3u52C-4j1lA:
undetectable		 3u52A-4j1lA:
23.80
3u52C-4j1lA:
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.
4kho UNCHARACTERIZED
PROTEIN SPT16M

(Chaetomium
thermophilum) 		PF08512
(Rtt106)
PF08644
(SPT16) 		3 HIS A 733
HIS A 731
ILE A 842
 None
 0.86A 3u52A-4khoA:
undetectable
3u52C-4khoA:
undetectable		 3u52A-4khoA:
18.93
3u52C-4khoA:
21.53
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.
4mv3 BIOTIN CARBOXYLASE

(Haemophilus
influenzae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 HIS A 358
HIS A 356
ILE A 410
 None
 0.81A 3u52A-4mv3A:
undetectable
3u52C-4mv3A:
undetectable		 3u52A-4mv3A:
19.52
3u52C-4mv3A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6b SERINE
ACETYLTRANSFERASE
APOENZYME

(Glycine max) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		3 HIS A 129
HIS A 125
ILE A 161
 None
 0.67A 3u52A-4n6bA:
undetectable
3u52C-4n6bA:
undetectable		 3u52A-4n6bA:
19.22
3u52C-4n6bA:
21.01
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.
4o6z SERINE
HYDROXYMETHYLTRANSFE
RASE

(Plasmodium
falciparum) 		PF00464
(SHMT) 		3 HIS A 211
HIS A 326
ILE A 238
 PLP  A 701 (-4.0A)
None
None
 0.83A 3u52A-4o6zA:
undetectable
3u52C-4o6zA:
undetectable		 3u52A-4o6zA:
21.84
3u52C-4o6zA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		3 HIS A 253
HIS A 254
ILE A 627
 None
 0.86A 3u52A-4o9xA:
undetectable
3u52C-4o9xA:
undetectable		 3u52A-4o9xA:
13.01
3u52C-4o9xA:
9.58
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.
4pfz 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
DELTA-ISOMERASE

(Mycolicibacterium
smegmatis) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		3 HIS A 130
HIS A 131
ILE A 254
 None
 0.85A 3u52A-4pfzA:
undetectable
3u52C-4pfzA:
undetectable		 3u52A-4pfzA:
19.09
3u52C-4pfzA:
20.54
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.
4qdv M7GPPPX
DIPHOSPHATASE

(Homo sapiens) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		3 HIS A 277
HIS A 279
ILE A 219
 PO4  A 402 (-3.7A)
PO4  A 402 (-4.0A)
30U  A 401 (-4.4A)
 0.85A 3u52A-4qdvA:
undetectable
3u52C-4qdvA:
undetectable		 3u52A-4qdvA:
23.05
3u52C-4qdvA:
23.12
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.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		3 HIS A  69
HIS A  73
ILE A 413
 None
 0.77A 3u52A-4w1wA:
undetectable
3u52C-4w1wA:
undetectable		 3u52A-4w1wA:
21.02
3u52C-4w1wA:
22.10
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.
4wjg HAPTOGLOBIN

(Homo sapiens) 		no annotation 3 HIS C 333
HIS C 235
ILE C 391
 NAG  C1005 ( 4.7A)
None
None
 0.83A 3u52A-4wjgC:
undetectable
3u52C-4wjgC:
undetectable		 3u52A-4wjgC:
21.65
3u52C-4wjgC:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xxf FUCULOSE-1-PHOSPHATE
ALDOLASE

(Glaciozyma
antarctica) 		PF00596
(Aldolase_II) 		3 HIS A 127
HIS A 131
ILE A 130
 None
 0.77A 3u52A-4xxfA:
undetectable
3u52C-4xxfA:
undetectable		 3u52A-4xxfA:
19.64
3u52C-4xxfA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yer ABC TRANSPORTER
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF13732
(DUF4162) 		3 HIS A 152
HIS A 101
ILE A 151
 None
 0.73A 3u52A-4yerA:
undetectable
3u52C-4yerA:
undetectable		 3u52A-4yerA:
21.08
3u52C-4yerA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z36 LYSOPHOSPHATIDIC
ACID RECEPTOR
1,SOLUBLE CYTOCHROME
B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		3 HIS A 227
HIS A 147
ILE A 228
 None
 0.77A 3u52A-4z36A:
2.5
3u52C-4z36A:
2.5		 3u52A-4z36A:
19.75
3u52C-4z36A:
21.19
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.
4zsx UNCHARACTERIZED
FUSION PROTEIN

(Pseudomonas
aeruginosa;
Aquifex
aeolicus) 		PF06557
(DUF1122) 		3 HIS A 208
HIS A 212
ILE A 211
 None
 0.85A 3u52A-4zsxA:
undetectable
3u52C-4zsxA:
undetectable		 3u52A-4zsxA:
19.49
3u52C-4zsxA:
22.47
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		3 HIS A  31
HIS A  27
ILE A 101
 None
 0.70A 3u52A-5a31A:
undetectable
3u52C-5a31A:
undetectable		 3u52A-5a31A:
15.00
3u52C-5a31A:
12.63
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.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		3 HIS A 534
HIS A 503
ILE A 397
 None
 0.80A 3u52A-5aorA:
undetectable
3u52C-5aorA:
undetectable		 3u52A-5aorA:
16.33
3u52C-5aorA:
14.94
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.
5ax7 PYRUVYL TRANSFERASE
1

(Schizosaccharomyces
pombe) 		PF04230
(PS_pyruv_trans) 		3 HIS A 366
HIS A 341
ILE A 362
 None
 0.77A 3u52A-5ax7A:
undetectable
3u52C-5ax7A:
undetectable		 3u52A-5ax7A:
22.22
3u52C-5ax7A:
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.
5cuk RULER PROTEIN

(Pseudomonas
aeruginosa) 		PF02120
(Flg_hook) 		3 HIS A 303
HIS A 337
ILE A 274
 GOL  A 402 (-2.8A)
GOL  A 402 (-4.3A)
GOL  A 402 (-4.4A)
 0.82A 3u52A-5cukA:
undetectable
3u52C-5cukA:
undetectable		 3u52A-5cukA:
14.47
3u52C-5cukA:
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 3 HIS B  39
HIS B  36
ILE B  40
 None
 0.76A 3u52A-5dlqB:
undetectable
3u52C-5dlqB:
undetectable		 3u52A-5dlqB:
18.03
3u52C-5dlqB:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dni PUTATIVE
L(+)-TARTRATE
DEHYDRATASE SUBUNIT
BETA

(Methanocaldococcus
jannaschii) 		PF05683
(Fumerase_C) 		3 HIS A  60
HIS A  36
ILE A  58
 None
 0.86A 3u52A-5dniA:
undetectable
3u52C-5dniA:
undetectable		 3u52A-5dniA:
16.17
3u52C-5dniA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fa9 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA

(Treponema
denticola) 		PF01625
(PMSR)
PF01641
(SelR) 		3 HIS A 131
HIS A  50
ILE A 133
 None
 0.78A 3u52A-5fa9A:
undetectable
3u52C-5fa9A:
undetectable		 3u52A-5fa9A:
20.98
3u52C-5fa9A:
21.99
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		3 HIS A 152
HIS A  82
ILE A 154
 None
 0.81A 3u52A-5habA:
undetectable
3u52C-5habA:
undetectable		 3u52A-5habA:
22.03
3u52C-5habA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i85 SPHINGOMYELIN
PHOSPHODIESTERASE

(Homo sapiens) 		PF00149
(Metallophos) 		3 HIS A 509
HIS A 421
ILE A 500
 None
 0.77A 3u52A-5i85A:
undetectable
3u52C-5i85A:
undetectable		 3u52A-5i85A:
20.10
3u52C-5i85A:
17.83
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.
5if3 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
vietnamiensis) 		PF00106
(adh_short) 		3 HIS A 168
HIS A 142
ILE A 182
 None
 0.77A 3u52A-5if3A:
undetectable
3u52C-5if3A:
undetectable		 3u52A-5if3A:
18.09
3u52C-5if3A:
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.
5jm6 AMINOPEPTIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF02127
(Peptidase_M18) 		3 HIS A 394
HIS A 450
ILE A 452
 None
 0.73A 3u52A-5jm6A:
undetectable
3u52C-5jm6A:
undetectable		 3u52A-5jm6A:
19.65
3u52C-5jm6A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k3j ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		3 HIS A 100
HIS A 109
ILE A  77
 None
 0.82A 3u52A-5k3jA:
undetectable
3u52C-5k3jA:
undetectable		 3u52A-5k3jA:
20.88
3u52C-5k3jA:
19.97
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.
5kp9 EPN-01*

(Thermotoga
maritima;
Human
immunodeficiency
virus 1) 		PF01081
(Aldolase) 		3 HIS B  35
HIS B   8
ILE B  62
 None
 0.85A 3u52A-5kp9B:
undetectable
3u52C-5kp9B:
undetectable		 3u52A-5kp9B:
20.31
3u52C-5kp9B:
19.88
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		3 HIS A 100
HIS A 403
ILE A 108
 None
 0.85A 3u52A-5l46A:
undetectable
3u52C-5l46A:
undetectable		 3u52A-5l46A:
20.21
3u52C-5l46A:
16.69
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		3 HIS K 178
HIS K 187
ILE K 185
 None
 0.85A 3u52A-5l5wK:
undetectable
3u52C-5l5wK:
undetectable		 3u52A-5l5wK:
19.16
3u52C-5l5wK:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lq4 CYAGOX

(Cyanothece sp.
PCC 7425) 		PF00881
(Nitroreductase) 		3 HIS A 361
HIS A 352
ILE A 249
 None
 0.85A 3u52A-5lq4A:
undetectable
3u52C-5lq4A:
undetectable		 3u52A-5lq4A:
22.46
3u52C-5lq4A:
22.52
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.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		3 HIS K 178
HIS K 187
ILE K 185
 None
 0.82A 3u52A-5m2bK:
undetectable
3u52C-5m2bK:
undetectable		 3u52A-5m2bK:
17.03
3u52C-5m2bK:
21.79
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.
5me3 SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		3 HIS A1292
HIS A1346
ILE A1342
 None
 0.75A 3u52A-5me3A:
undetectable
3u52C-5me3A:
undetectable		 3u52A-5me3A:
17.29
3u52C-5me3A:
15.18
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.
5nc6 PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 3 HIS A 230
HIS A 233
ILE A 232
 ACT  A 301 (-4.2A)
None
None
 0.85A 3u52A-5nc6A:
undetectable
3u52C-5nc6A:
undetectable		 3u52A-5nc6A:
undetectable
3u52C-5nc6A:
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.
5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 3 HIS A 230
HIS A 233
ILE A 232
 ACT  A 302 (-4.0A)
None
None
 0.84A 3u52A-5nekA:
undetectable
3u52C-5nekA:
undetectable		 3u52A-5nekA:
undetectable
3u52C-5nekA:
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.
5u1a FERRITIN,MTRE
PROTEIN CHIMERA

(Helicobacter
pylori;
Neisseria
gonorrhoeae) 		no annotation 3 HIS A 111
HIS A 108
ILE A 112
 None
 0.84A 3u52A-5u1aA:
1.0
3u52C-5u1aA:
10.1		 3u52A-5u1aA:
17.30
3u52C-5u1aA:
18.62
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.
5uc7 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(environmental
samples) 		PF00202
(Aminotran_3) 		3 HIS A  57
HIS A  61
ILE A 404
 None
 0.84A 3u52A-5uc7A:
undetectable
3u52C-5uc7A:
undetectable		 3u52A-5uc7A:
23.59
3u52C-5uc7A:
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.
5uz7 CALCITONIN RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2) 		3 HIS R 377
HIS R 381
ILE R 380
 None
 0.59A 3u52A-5uz7R:
undetectable
3u52C-5uz7R:
2.6		 3u52A-5uz7R:
19.02
3u52C-5uz7R:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgo DNA PROTECTION
DURING STARVATION
PROTEIN,BACTERIOFERR
ITIN

(Escherichia
coli) 		no annotation 3 HIS A 112
HIS A 117
ILE A 111
 None
 0.73A 3u52A-5xgoA:
5.9
3u52C-5xgoA:
5.2		 3u52A-5xgoA:
undetectable
3u52C-5xgoA:
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.
5xko CYTIDINE/DEOXYCYTIDY
LATE DEAMINASE,
ZINC-BINDING REGION

(Mycolicibacterium
smegmatis) 		PF00383
(dCMP_cyt_deam_1) 		3 HIS A  93
HIS A  85
ILE A 129
 None
 0.71A 3u52A-5xkoA:
undetectable
3u52C-5xkoA:
undetectable		 3u52A-5xkoA:
14.29
3u52C-5xkoA:
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.
6c43 GAMMA-AMINOBUTYRALDE
HYDE DEHYDROGENASE

(Salmonella
enterica) 		no annotation 3 HIS A 235
HIS A 231
ILE A 232
 None
 0.81A 3u52A-6c43A:
undetectable
3u52C-6c43A:
undetectable		 3u52A-6c43A:
undetectable
3u52C-6c43A:
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 3 HIS H 350
HIS H 346
ILE H 320
 None
 0.78A 3u52A-6cfwH:
1.0
3u52C-6cfwH:
3.0		 3u52A-6cfwH:
undetectable
3u52C-6cfwH:
undetectable