SIMILAR PATTERNS OF AMINO ACIDS FOR 4ACA_C_DXCC1479

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.
1aa0 FIBRITIN

(Escherichia
virus T4) 		PF07921
(Fibritin_C) 		4 THR A 419
ILE A 422
LYS A 423
GLU A 426
 None
CL  A 484 ( 4.5A)
None
None
 0.48A 4acaC-1aa0A:
undetectable		 4acaC-1aa0A:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e0t PYRUVATE KINASE

(Escherichia
coli) 		PF00224
(PK)
PF02887
(PK_C) 		4 ILE A 264
LYS A 261
GLU A 265
PHE A 391
 None
 1.35A 4acaC-1e0tA:
2.8		 4acaC-1e0tA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f89 32.5 KDA PROTEIN
YLR351C

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		4 THR A  98
ILE A  99
GLU A 101
PHE A 116
 None
 1.41A 4acaC-1f89A:
undetectable		 4acaC-1f89A:
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.
1jmm PROTEIN I/II
V-REGION

(Streptococcus
mutans) 		PF08363
(GbpC) 		4 THR A 631
ILE A 672
LYS A 673
PHE A 638
 None
 1.46A 4acaC-1jmmA:
undetectable		 4acaC-1jmmA:
21.92
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 THR A 837
ILE A 803
LYS A 802
PHE A 773
 None
 1.48A 4acaC-1kcwA:
undetectable		 4acaC-1kcwA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lme PEPTIDE DEFORMYLASE

(Thermotoga
maritima) 		PF01327
(Pep_deformylase) 		4 THR A 110
ILE A  30
LYS A  27
GLU A  31
 None
 1.37A 4acaC-1lmeA:
undetectable		 4acaC-1lmeA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m6e S-ADENOSYL-L-METHION
INE:SALICYLIC ACID
CARBOXYL
METHYLTRANSFERASE

(Clarkia breweri) 		PF03492
(Methyltransf_7) 		4 THR X  71
ILE X  74
LYS X  75
GLU X  78
 None
 1.02A 4acaC-1m6eX:
undetectable		 4acaC-1m6eX:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nst HEPARAN SULFATE
N-DEACETYLASE/N-SULF
OTRANSFERASE

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 THR A 617
ILE A 609
LYS A 676
GLU A 675
 A3P  A 301 (-3.0A)
None
A3P  A 301 ( 4.5A)
None
 1.27A 4acaC-1nstA:
5.3		 4acaC-1nstA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 THR A 436
ILE A 417
LYS A 418
PHE A 381
 None
 1.40A 4acaC-1nylA:
2.0		 4acaC-1nylA:
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.
1qo4 PEROXIDASE

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		4 THR A 149
ILE A 148
GLU A 143
PHE A  45
 None
HEM  A 374 ( 4.7A)
None
None
 1.45A 4acaC-1qo4A:
undetectable		 4acaC-1qo4A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rhc F420-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Methanoculleus
thermophilus) 		PF00296
(Bac_luciferase) 		4 THR A  74
ILE A  73
GLU A 108
PHE A   8
 None
F42  A 351 (-4.2A)
ACN  A 352 ( 2.9A)
None
 1.06A 4acaC-1rhcA:
2.6		 4acaC-1rhcA:
21.04
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		4 THR A 146
ILE A 149
LYS A 150
GLU A 153
 None
 0.90A 4acaC-1szqA:
undetectable		 4acaC-1szqA:
20.31
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.
1tqh CARBOXYLESTERASE
PRECURSOR

(Geobacillus
stearothermophilus) 		PF12146
(Hydrolase_4) 		4 THR A 226
ILE A 225
GLU A 230
PHE A 186
 None
 1.44A 4acaC-1tqhA:
6.1		 4acaC-1tqhA:
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.
1vhh SONIC HEDGEHOG

(Mus musculus) 		PF01085
(HH_signal) 		4 THR A  68
ILE A  67
LYS A  66
GLU A 143
 None
 1.45A 4acaC-1vhhA:
undetectable		 4acaC-1vhhA:
16.21
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.
1vkx PROTEIN (NF-KAPPA B
P50 SUBUNIT)

(Mus musculus) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 THR B 456
LYS B 491
GLU B 492
PHE B 448
 None
 1.18A 4acaC-1vkxB:
2.2		 4acaC-1vkxB:
21.51
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.
1ygm HYPOTHETICAL PROTEIN
BSU31320

(Bacillus
subtilis) 		PF11458
(Mistic) 		4 THR A  93
ILE A  94
LYS A  90
GLU A  33
 None
 1.28A 4acaC-1ygmA:
undetectable		 4acaC-1ygmA:
13.00
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		4 THR A  53
ILE A  76
GLU A  74
PHE A  80
 None
 1.25A 4acaC-2abqA:
3.7		 4acaC-2abqA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e5p PHD FINGER PROTEIN 1

(Homo sapiens) 		no annotation 4 THR A  29
ILE A  30
LYS A  31
GLU A  12
 None
 1.23A 4acaC-2e5pA:
undetectable		 4acaC-2e5pA:
8.69
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.
2eqj METAL-RESPONSE
ELEMENT-BINDING
TRANSCRIPTION FACTOR
2

(Mus musculus) 		no annotation 4 THR A  33
ILE A  34
LYS A  35
GLU A  16
 None
 1.11A 4acaC-2eqjA:
undetectable		 4acaC-2eqjA:
9.66
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.
2fkb PUTATIVE NUDIX
HYDROLASE YFCD

(Escherichia
coli) 		PF00293
(NUDIX) 		4 THR A 142
ILE A  51
LYS A  50
PHE A 153
 None
 1.29A 4acaC-2fkbA:
undetectable		 4acaC-2fkbA:
17.74
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.
2hqm GLUTATHIONE
REDUCTASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 THR A 292
ILE A 208
GLU A 211
PHE A 191
 None
FAD  A1001 ( 4.1A)
None
None
 1.36A 4acaC-2hqmA:
undetectable		 4acaC-2hqmA:
22.89
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.
2i9y MAJOR LATEX
PROTEIN-LIKE PROTEIN
28 OR MLP-LIKE
PROTEIN 28

(Arabidopsis
thaliana) 		PF00407
(Bet_v_1) 		4 THR A 103
ILE A  92
GLU A  90
PHE A  43
 None
 1.18A 4acaC-2i9yA:
undetectable		 4acaC-2i9yA:
17.84
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.
2ksz PUTATIVE
UNCHARACTERIZED
PROTEIN

(Glycine max) 		PF13499
(EF-hand_7) 		4 THR A  28
ILE A  63
GLU A  67
PHE A  16
 None
None
MG  A 101 (-2.5A)
None
 1.24A 4acaC-2kszA:
undetectable		 4acaC-2kszA:
11.37
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.
2ktm MAJOR PRION PROTEIN

(Ovis aries) 		PF00377
(Prion) 		4 THR A 204
ILE A 206
LYS A 207
GLU A 210
 None
 1.36A 4acaC-2ktmA:
undetectable		 4acaC-2ktmA:
11.99
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.
2lio UNCHARACTERIZED
PROTEIN

(Bacteroides
fragilis) 		no annotation 4 THR A 100
ILE A   6
LYS A   5
GLU A   4
 None
 1.45A 4acaC-2lioA:
undetectable		 4acaC-2lioA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o0a S.CEREVISIAE
CHROMOSOME XVI
READING FRAME ORF
YPL253C

(Saccharomyces
cerevisiae) 		PF16796
(Microtub_bd) 		4 THR A 374
ILE A 369
GLU A 365
PHE A 614
 None
 1.26A 4acaC-2o0aA:
2.4		 4acaC-2o0aA:
19.75
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.
2o1m PROBABLE AMINO-ACID
ABC TRANSPORTER
EXTRACELLULAR-BINDIN
G PROTEIN YTMK

(Bacillus
subtilis) 		PF00497
(SBP_bac_3) 		4 THR A 190
ILE A 191
LYS A 192
GLU A 193
 None
 1.15A 4acaC-2o1mA:
undetectable		 4acaC-2o1mA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q4a CLAVAMINATE
SYNTHASE-LIKE
PROTEIN AT3G21360

(Arabidopsis
thaliana) 		PF02668
(TauD) 		4 THR A  44
ILE A  47
LYS A  48
PHE A 134
 None
 0.90A 4acaC-2q4aA:
undetectable		 4acaC-2q4aA:
21.93
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.
2qi2 CELL DIVISION
PROTEIN PELOTA
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		4 THR A 134
ILE A 148
GLU A 245
PHE A 232
 None
 1.23A 4acaC-2qi2A:
undetectable		 4acaC-2qi2A:
21.77
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		4 THR A  74
ILE A  75
LYS A  76
PHE A 160
 None
 1.24A 4acaC-2qy1A:
undetectable		 4acaC-2qy1A:
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.
2w1v NITRILASE HOMOLOG 2

(Mus musculus) 		PF00795
(CN_hydrolase) 		4 THR A 134
ILE A 123
GLU A  97
PHE A 138
 None
 1.18A 4acaC-2w1vA:
2.2		 4acaC-2w1vA:
20.73
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		4 THR A 324
ILE A 327
LYS A 328
PHE A 127
 None
 1.36A 4acaC-2wabA:
6.0		 4acaC-2wabA:
22.09
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.
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3

(Homo sapiens) 		PF01026
(TatD_DNase) 		4 THR A 155
ILE A 156
GLU A 181
PHE A 189
 None
 1.43A 4acaC-2y1hA:
3.1		 4acaC-2y1hA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5d UBIQUITIN-CONJUGATIN
G ENZYME E2 H

(Homo sapiens) 		PF00179
(UQ_con) 		4 THR A  32
ILE A  35
LYS A  36
GLU A  39
 None
 0.80A 4acaC-2z5dA:
undetectable		 4acaC-2z5dA:
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.
2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 THR A 319
ILE A 320
LYS A 341
PHE A 304
 None
 1.47A 4acaC-2z63A:
undetectable		 4acaC-2z63A:
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.
3bit FACT COMPLEX SUBUNIT
SPT16

(Saccharomyces
cerevisiae) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 THR A  99
ILE A  98
LYS A  71
PHE A  11
 None
 1.35A 4acaC-3bitA:
undetectable		 4acaC-3bitA:
22.56
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.
3bkx SAM-DEPENDENT
METHYLTRANSFERASE

(Lactobacillus
paracasei) 		PF13649
(Methyltransf_25) 		4 THR A 194
ILE A 196
GLU A 158
PHE A 144
 None
 1.37A 4acaC-3bkxA:
2.6		 4acaC-3bkxA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3etv PROTEIN TRANSPORT
PROTEIN TIP20,
PROTEIN TRANSPORT
PROTEIN DSL1 CHIMERA

(Saccharomyces
cerevisiae) 		PF11988
(Dsl1_N) 		4 THR A 147
ILE A 146
LYS A 145
PHE A 271
 None
 1.47A 4acaC-3etvA:
undetectable		 4acaC-3etvA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fzx PUTATIVE EXPORTED
PROTEIN

(Bacteroides
fragilis) 		no annotation 4 THR A  38
ILE A  37
GLU A  35
PHE A 181
 None
 1.09A 4acaC-3fzxA:
undetectable		 4acaC-3fzxA:
18.10
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.
3hid ADENYLOSUCCINATE
SYNTHETASE

(Yersinia pestis) 		PF00709
(Adenylsucc_synt) 		4 THR A 157
ILE A 160
LYS A 161
GLU A 164
 None
 0.60A 4acaC-3hidA:
5.6		 4acaC-3hidA:
23.94
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.
3jyo QUINATE/SHIKIMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF08501
(Shikimate_dh_N) 		4 THR A  69
ILE A  68
LYS A  73
PHE A 266
 None
 1.29A 4acaC-3jyoA:
undetectable		 4acaC-3jyoA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k8p PROTEIN TRANSPORT
PROTEIN SEC39

(Saccharomyces
cerevisiae) 		PF08314
(Sec39) 		4 THR D 313
ILE D 314
GLU D 315
PHE D 341
 None
 1.33A 4acaC-3k8pD:
undetectable		 4acaC-3k8pD:
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.
3k8p PROTEIN TRANSPORT
PROTEIN SEC39

(Saccharomyces
cerevisiae) 		PF08314
(Sec39) 		4 THR D 319
ILE D 314
GLU D 315
PHE D 341
 None
 1.48A 4acaC-3k8pD:
undetectable		 4acaC-3k8pD:
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.
3kux PUTATIVE
OXIDOREDUCTASE

(Yersinia pestis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 THR A 321
ILE A 324
LYS A 325
GLU A 328
 None
 0.87A 4acaC-3kuxA:
4.1		 4acaC-3kuxA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Escherichia
coli) 		PF01135
(PCMT) 		4 THR A  68
ILE A 146
GLU A  81
PHE A 199
 None
None
SAH  A 300 ( 4.7A)
None
 1.43A 4acaC-3lbfA:
undetectable		 4acaC-3lbfA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lw2 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Mus musculus) 		PF00079
(Serpin) 		4 THR A  93
ILE A  91
GLU A  90
PHE A 372
 None
 1.43A 4acaC-3lw2A:
undetectable		 4acaC-3lw2A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m66 MTERF
DOMAIN-CONTAINING
PROTEIN 1,
MITOCHONDRIAL

(Homo sapiens) 		PF02536
(mTERF) 		4 THR A 210
ILE A 169
LYS A 168
GLU A 170
 None
 1.21A 4acaC-3m66A:
undetectable		 4acaC-3m66A:
21.56
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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		4 THR A 203
ILE A 206
LYS A 207
GLU A 210
 None
 0.68A 4acaC-3shrA:
undetectable		 4acaC-3shrA:
23.54
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.
3so6 LDL RECEPTOR ADAPTOR
PROTEIN

(Rattus
norvegicus) 		PF00640
(PID) 		4 THR A  99
ILE A 107
GLU A 108
PHE A 145
 None
 1.12A 4acaC-3so6A:
undetectable		 4acaC-3so6A:
15.38
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.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 THR A 183
ILE A 166
GLU A  45
PHE A  53
 None
DTD  A 301 ( 4.5A)
None
3PH  A 302 ( 4.9A)
 1.14A 4acaC-3th1A:
undetectable		 4acaC-3th1A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tha TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Campylobacter
jejuni) 		PF00290
(Trp_syntA) 		4 ILE A 131
LYS A 132
GLU A 135
PHE A 124
 None
 1.23A 4acaC-3thaA:
2.7		 4acaC-3thaA:
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.
3tlz MCCF

(Escherichia
coli) 		PF02016
(Peptidase_S66) 		4 THR A  84
ILE A 113
LYS A 112
PHE A 159
 None
 1.49A 4acaC-3tlzA:
2.8		 4acaC-3tlzA:
22.58
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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 4 THR A 147
ILE A 178
LYS A 174
GLU A 175
 None
 1.41A 4acaC-3u4gA:
2.5		 4acaC-3u4gA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uan HEPARAN SULFATE
GLUCOSAMINE
3-O-SULFOTRANSFERASE
1

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		4 THR A  71
ILE A  63
LYS A 123
GLU A 122
 A3P  A 603 (-2.9A)
None
BDP  A   2 (-3.0A)
None
 1.27A 4acaC-3uanA:
3.9		 4acaC-3uanA:
19.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aca TRANSLATION
ELONGATION FACTOR
SELB

(Methanococcus
maripaludis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 ILE A 129
LYS A 130
GLU A 133
PHE A 160
 None
 0.79A 4acaC-4acaA:
51.8		 4acaC-4acaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aca TRANSLATION
ELONGATION FACTOR
SELB

(Methanococcus
maripaludis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 THR A 126
ILE A 129
LYS A 130
GLU A 133
 None
 0.66A 4acaC-4acaA:
51.8		 4acaC-4acaA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c4v OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 THR A 720
ILE A 719
GLU A 717
PHE A 586
 None
 1.19A 4acaC-4c4vA:
undetectable		 4acaC-4c4vA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cyf PANTETHEINASE

(Homo sapiens) 		PF00795
(CN_hydrolase) 		4 THR A 162
ILE A 139
GLU A  97
PHE A 166
 None
 0.98A 4acaC-4cyfA:
undetectable		 4acaC-4cyfA:
22.03
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.
4es9 EPF

(Streptococcus
pyogenes) 		no annotation 4 THR A 165
ILE A 164
LYS A 230
PHE A 243
 None
 1.49A 4acaC-4es9A:
undetectable		 4acaC-4es9A:
23.73
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 THR B 808
ILE B 807
LYS B 559
GLU B 563
 None
 1.39A 4acaC-4g7eB:
2.9		 4acaC-4g7eB:
20.09
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.
4hcz PHD FINGER PROTEIN 1

(Homo sapiens) 		no annotation 4 THR A  50
ILE A  51
LYS A  52
GLU A  33
 None
 1.11A 4acaC-4hczA:
undetectable		 4acaC-4hczA:
8.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i99 CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		4 THR A 149
ILE A 152
LYS A 153
GLU A1067
 None
 1.14A 4acaC-4i99A:
undetectable		 4acaC-4i99A:
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.
4inf METAL-DEPENDENT
HYDROLASE

(Novosphingobium
aromaticivorans) 		PF04909
(Amidohydro_2) 		4 THR A  80
ILE A  82
GLU A  20
PHE A 341
 None
 1.04A 4acaC-4infA:
2.0		 4acaC-4infA:
23.57
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.
4j4b PYLD

(Methanosarcina
barkeri) 		no annotation 4 THR A  71
ILE A  70
GLU A 245
PHE A  63
 None
None
MG  A 903 ( 3.9A)
0TF  A 904 (-3.8A)
 1.49A 4acaC-4j4bA:
undetectable		 4acaC-4j4bA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kte GE148 HEAVY CHAIN
FAB

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR H 100
ILE H 100
LYS H 100
GLU H 100
 None
 1.18A 4acaC-4kteH:
undetectable		 4acaC-4kteH:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oz5 BACILLUS SUBTILIS
HMOB

(Bacillus
subtilis) 		PF03992
(ABM) 		4 THR A 117
ILE A 102
GLU A  94
PHE A  86
 None
None
None
HEM  A 201 ( 3.7A)
 1.26A 4acaC-4oz5A:
undetectable		 4acaC-4oz5A:
16.03
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.
4pfi TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Marinobacter
hydrocarbonoclasticus) 		PF03480
(DctP) 		4 THR A  46
ILE A  78
GLU A 272
PHE A  66
 None
 1.32A 4acaC-4pfiA:
undetectable		 4acaC-4pfiA:
22.58
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.
4qus ACETYLTRANSFERASE
YPEA

(Escherichia
coli) 		PF00583
(Acetyltransf_1) 		4 THR A  16
ILE A  15
GLU A  31
PHE A   6
 None
 1.34A 4acaC-4qusA:
undetectable		 4acaC-4qusA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u6u COG5

(Kluyveromyces
lactis) 		PF10392
(COG5) 		4 THR B 184
ILE B 188
LYS B 189
GLU B 192
 None
 1.36A 4acaC-4u6uB:
undetectable		 4acaC-4u6uB:
22.45
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.
4x8r TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		4 THR A  78
ILE A  75
GLU A  71
PHE A 131
 None
None
BDP  A 401 (-2.7A)
None
 1.25A 4acaC-4x8rA:
undetectable		 4acaC-4x8rA:
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.
4xe7 UNCHARACTERIZED
PROTEIN

(Bacillus
thuringiensis) 		no annotation 4 THR A 176
ILE A 189
LYS A 188
GLU A 144
 None
 1.29A 4acaC-4xe7A:
undetectable		 4acaC-4xe7A:
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.
4zds PROTEIN ETHYLENE
INSENSITIVE 3

(Arabidopsis
thaliana) 		PF04873
(EIN3) 		4 THR A 177
ILE A 291
LYS A 173
GLU A 295
 None
 1.40A 4acaC-4zdsA:
undetectable		 4acaC-4zdsA:
13.12
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.
4zef AMINO ACID ABC
TRANSPORTER AMINO
ACID-BINDING/PERMEAS
E

(Enterococcus
faecalis) 		PF00497
(SBP_bac_3) 		4 THR A 478
ILE A 475
LYS A 474
GLU A 471
 None
 1.43A 4acaC-4zefA:
undetectable		 4acaC-4zefA:
22.56
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.
5ah4 DNA POLYMERASE III
SUBUNIT BETA

(Mycolicibacterium
smegmatis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 THR A 279
ILE A 282
LYS A 283
PHE A 352
 None
 1.50A 4acaC-5ah4A:
undetectable		 4acaC-5ah4A:
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.
5e5b FACT COMPLEX SUBUNIT
SPT16

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 THR A 171
ILE A 172
GLU A 358
PHE A 137
 None
 1.39A 4acaC-5e5bA:
undetectable		 4acaC-5e5bA:
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.
5exv HEMIN-DEGRADING
HEMS.CHUX DOMAIN
PROTEIN

(Vibrio cholerae) 		PF06228
(ChuX_HutX) 		4 THR A 131
ILE A 109
GLU A 107
PHE A 138
 None
 1.47A 4acaC-5exvA:
undetectable		 4acaC-5exvA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmv RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE C

(Homo sapiens) 		PF00041
(fn3)
PF12567
(CD45) 		4 THR A 409
ILE A 408
LYS A 441
PHE A 476
 None
 1.35A 4acaC-5fmvA:
undetectable		 4acaC-5fmvA:
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.
5h83 HETEROYOHIMBINE
SYNTHASE HYS

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 167
ILE A 166
GLU A 305
PHE A 100
 None
 1.15A 4acaC-5h83A:
3.2		 4acaC-5h83A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jiu RAN-BINDING PROTEIN
9

(Homo sapiens) 		PF00622
(SPRY) 		4 THR A 276
ILE A 221
LYS A 224
GLU A 323
 None
 1.50A 4acaC-5jiuA:
undetectable		 4acaC-5jiuA:
19.17
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.
5kc9 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-1

(Mus musculus) 		PF01094
(ANF_receptor) 		4 THR A  61
ILE A  24
LYS A  59
GLU A  58
 None
 1.29A 4acaC-5kc9A:
5.8		 4acaC-5kc9A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		4 THR A 415
ILE A 411
GLU A 371
PHE A 360
 None
 1.48A 4acaC-5lrbA:
7.3		 4acaC-5lrbA:
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.
5m3x ANGIOTENSINOGEN

(Homo sapiens) 		no annotation 4 THR A 343
ILE A 344
GLU A 420
PHE A 258
 None
 1.45A 4acaC-5m3xA:
undetectable		 4acaC-5m3xA:
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.
5np9 TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN TSAE

(Bacillus
subtilis) 		no annotation 4 THR A  64
ILE A  66
LYS A  67
GLU A  68
 None
 1.19A 4acaC-5np9A:
undetectable		 4acaC-5np9A:
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.
5o6t E3 UBIQUITIN-PROTEIN
LIGASE XIAP

(Homo sapiens) 		no annotation 4 ILE A 460
LYS A 472
GLU A 476
PHE A 490
 None
 1.13A 4acaC-5o6tA:
undetectable		 4acaC-5o6tA:
8.26
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.
5uen ADENOSINE RECEPTOR
A1,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A1

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		4 ILE A 232
LYS A 228
GLU A 229
PHE A  45
 None
 1.44A 4acaC-5uenA:
undetectable		 4acaC-5uenA:
22.26
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.
5vmm IRON-REGULATED CELL
WALL-ANCHORED
PROTEIN

(Staphylococcus
aureus) 		no annotation 4 THR E 348
ILE E 371
GLU E 385
PHE E 418
 None
 1.33A 4acaC-5vmmE:
undetectable		 4acaC-5vmmE:
21.30
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.
5w7q CONSENSUS ELONGATION
FACTOR

(synthetic
construct) 		no annotation 4 THR A 383
LYS A  60
GLU A 316
PHE A 323
 None
 1.39A 4acaC-5w7qA:
19.4		 4acaC-5w7qA:
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.
5xei CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
yayanosii) 		PF02463
(SMC_N) 		4 THR A 149
ILE A 152
LYS A 153
GLU A1067
 None
 1.21A 4acaC-5xeiA:
undetectable		 4acaC-5xeiA:
24.91
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.
5xfo PHD FINGER PROTEIN 1

(Homo sapiens) 		PF00628
(PHD) 		4 THR A  50
ILE A  51
LYS A  52
GLU A  33
 None
 1.18A 4acaC-5xfoA:
undetectable		 4acaC-5xfoA:
21.04
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.
5xfr METAL-RESPONSE
ELEMENT-BINDING
TRANSCRIPTION FACTOR
2

(Homo sapiens) 		PF00628
(PHD) 		4 THR A  65
ILE A  66
LYS A  67
GLU A  48
 None
 1.34A 4acaC-5xfrA:
undetectable		 4acaC-5xfrA:
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.
6cgm RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Bacillus
subtilis) 		no annotation 4 THR A 591
ILE A 597
GLU A 602
PHE A 657
 None
 1.48A 4acaC-6cgmA:
undetectable		 4acaC-6cgmA:
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.
6ftx -

(-) 		no annotation 4 THR W 631
ILE W 629
GLU W 624
PHE W 646
 None
 1.44A 4acaC-6ftxW:
undetectable		 4acaC-6ftxW:
undetectable