SIMILAR PATTERNS OF AMINO ACIDS FOR 4DO3_A_0LAA602_1

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.
1aye PROCARBOXYPEPTIDASE
A2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 LEU A 195
LEU A  64
MET A 301
THR A  82
 None
 1.11A 4do3A-1ayeA:
undetectable		 4do3A-1ayeA:
20.28
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.
1bmt METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		4 LEU A 870
LEU A 831
MET A 749
THR A 863
 None
COB  A 122 (-4.4A)
None
COB  A 122 (-3.4A)
 1.45A 4do3A-1bmtA:
1.0		 4do3A-1bmtA:
16.90
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.
1dgp ARISTOLOCHENE
SYNTHASE

(Penicillium
roqueforti) 		no annotation 4 LEU A 108
LEU A 212
MET A 160
THR A 175
 FOH  A 402 (-4.2A)
None
None
None
 1.46A 4do3A-1dgpA:
undetectable		 4do3A-1dgpA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 LEU A 551
LEU A 419
MET A 657
THR A 437
 None
 1.09A 4do3A-1dtdA:
0.4		 4do3A-1dtdA:
18.86
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.
1h6d PRECURSOR FORM OF
GLUCOSE-FRUCTOSE
OXIDOREDUCTASE

(Zymomonas
mobilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 LEU A 263
LEU A 271
MET A 309
THR A 236
 None
 1.49A 4do3A-1h6dA:
0.2		 4do3A-1h6dA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 LEU A 438
LEU A 441
MET A 568
TRP A 444
 None
 1.22A 4do3A-1ileA:
undetectable		 4do3A-1ileA:
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		4 LEU A  17
LEU A  20
MET A 445
THR A 126
 None
 1.20A 4do3A-1lfwA:
0.0		 4do3A-1lfwA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mt5 FATTY-ACID AMIDE
HYDROLASE

(Rattus
norvegicus) 		PF01425
(Amidase) 		5 LEU A 192
LEU A 404
MET A 436
THR A 488
TRP A 531
 MAY  A 600 ( 4.2A)
None
None
MAY  A 600 ( 4.2A)
None
 0.77A 4do3A-1mt5A:
68.6		 4do3A-1mt5A:
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		4 LEU A 163
LEU A 215
MET A 225
THR A 132
 None
 1.39A 4do3A-1qh5A:
undetectable		 4do3A-1qh5A:
19.47
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.
1tex STF0
SULFOTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF09037
(Sulphotransf) 		4 LEU A   9
LEU A  11
THR A 106
TRP A 103
 None
 1.24A 4do3A-1texA:
undetectable		 4do3A-1texA:
22.49
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.
2a98 INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE C

(Homo sapiens) 		PF03770
(IPK) 		4 LEU A 441
LEU A 444
MET A 636
THR A 642
 None
 1.26A 4do3A-2a98A:
undetectable		 4do3A-2a98A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aa1 HEMOGLOBIN BETA-C
CHAIN

(Trematomus
newnesi) 		PF00042
(Globin) 		4 LEU B  18
LEU B  68
MET B 134
THR B  27
 None
 1.14A 4do3A-2aa1B:
undetectable		 4do3A-2aa1B:
12.24
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 LEU B  25
LEU B 173
MET B   1
TRP B   7
 None
 1.45A 4do3A-2amcB:
undetectable		 4do3A-2amcB:
23.25
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		4 LEU A 310
LEU A 306
MET A 272
THR A 328
 None
None
FMT  A1795 (-4.9A)
None
 1.13A 4do3A-2c4mA:
undetectable		 4do3A-2c4mA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lak AHSA1-LIKE PROTEIN
RHE_CH02687

(Rhizobium etli) 		PF08327
(AHSA1) 		4 LEU A  17
LEU A 134
MET A  28
TRP A 127
 None
 1.41A 4do3A-2lakA:
undetectable		 4do3A-2lakA:
15.06
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.
2nqn MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
MOEA

(Escherichia
coli) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		4 LEU A  10
LEU A 276
MET A  17
THR A 307
 None
 1.34A 4do3A-2nqnA:
1.9		 4do3A-2nqnA:
22.62
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.
2pcu CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 LEU A 195
LEU A  64
MET A 301
THR A  82
 None
 1.30A 4do3A-2pcuA:
undetectable		 4do3A-2pcuA:
18.07
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 297
LEU A 318
MET A 308
THR A 353
 None
 1.27A 4do3A-2wd9A:
1.9		 4do3A-2wd9A:
22.33
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.
2ws9 P1

(Equine rhinitis
A virus) 		PF00073
(Rhv) 		4 LEU 3  80
LEU 3 104
MET 3  76
THR 3  88
 None
 1.44A 4do3A-2ws93:
undetectable		 4do3A-2ws93:
18.84
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.
2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE

(Mycobacterium
tuberculosis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 LEU A 146
LEU A 206
MET A 219
THR A 234
 None
 1.42A 4do3A-2wtzA:
undetectable		 4do3A-2wtzA:
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.
2yqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Candida
albicans) 		PF01704
(UDPGP) 		4 LEU A 243
LEU A 234
MET A 253
TRP A 353
 None
 1.24A 4do3A-2yqhA:
undetectable		 4do3A-2yqhA:
22.40
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 LEU A 294
LEU A  74
THR A 298
TRP A 302
 None
 1.42A 4do3A-3ahiA:
undetectable		 4do3A-3ahiA:
22.54
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 LEU A 294
LEU A  74
THR A 298
TRP A 302
 None
 1.41A 4do3A-3ai7A:
undetectable		 4do3A-3ai7A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bzj UV ENDONUCLEASE

(Thermus
thermophilus) 		PF03851
(UvdE) 		4 LEU A  42
LEU A  63
MET A 100
TRP A  76
 None
 1.27A 4do3A-3bzjA:
undetectable		 4do3A-3bzjA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dew TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Geobacter
sulfurreducens) 		PF00440
(TetR_N) 		4 LEU A  99
LEU A  98
THR A  88
TRP A  87
 None
None
ACY  A 209 ( 3.8A)
None
 1.25A 4do3A-3dewA:
undetectable		 4do3A-3dewA:
17.55
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.
3dz1 DIHYDRODIPICOLINATE
SYNTHASE

(Rhodopseudomonas
palustris) 		PF00701
(DHDPS) 		4 LEU A 180
LEU A 166
MET A 148
TRP A 135
 None
 1.25A 4do3A-3dz1A:
undetectable		 4do3A-3dz1A:
19.93
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.
3e5y TRMH FAMILY RNA
METHYLTRANSFERASE

(Burkholderia
pseudomallei) 		PF00588
(SpoU_methylase) 		4 LEU A  35
LEU A  39
MET A  57
THR A  15
 None
 1.31A 4do3A-3e5yA:
undetectable		 4do3A-3e5yA:
14.15
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.
3fkr L-2-KETO-3-DEOXYARAB
ONATE DEHYDRATASE

(Azospirillum
brasilense) 		PF00701
(DHDPS) 		4 LEU A 168
LEU A 163
MET A 121
THR A 185
 None
 1.39A 4do3A-3fkrA:
undetectable		 4do3A-3fkrA:
20.38
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.
3fok UNCHARACTERIZED
PROTEIN CGL0159

(Corynebacterium
glutamicum) 		no annotation 4 LEU A 262
LEU A 242
MET A 229
THR A 240
 None
 1.44A 4do3A-3fokA:
undetectable		 4do3A-3fokA:
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.
3fxb TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		4 LEU A  90
LEU A  83
MET A 303
THR A 210
 None
 1.40A 4do3A-3fxbA:
2.3		 4do3A-3fxbA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7q VALINE-PYRUVATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		4 LEU A 299
LEU A  86
MET A 245
TRP A  93
 None
 1.30A 4do3A-3g7qA:
undetectable		 4do3A-3g7qA:
21.82
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.
3gdj HEMOGLOBIN SUBUNIT
BETA

(Camelus
dromedarius) 		PF00042
(Globin) 		4 LEU B  28
LEU B 106
THR B  38
TRP B  37
 None
HEM  B 147 (-3.9A)
HEM  B 147 (-4.1A)
None
 1.38A 4do3A-3gdjB:
undetectable		 4do3A-3gdjB:
14.01
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.
3gza PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		4 LEU A 334
LEU A 291
MET A 353
THR A 289
 None
 1.34A 4do3A-3gzaA:
undetectable		 4do3A-3gzaA:
20.45
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.
3h75 PERIPLASMIC
SUGAR-BINDING DOMAIN
PROTEIN

(Pseudomonas
protegens) 		PF13407
(Peripla_BP_4) 		4 LEU A 342
LEU A 373
THR A 300
TRP A 304
 None
 1.25A 4do3A-3h75A:
undetectable		 4do3A-3h75A:
23.79
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.
3hw2 PLECKSTRIN HOMOLOGY
DOMAIN-CONTAINING
FAMILY M MEMBER 2

(Homo sapiens) 		PF00169
(PH) 		4 LEU B 818
LEU B 852
MET B 822
TRP B 865
 None
 1.41A 4do3A-3hw2B:
undetectable		 4do3A-3hw2B:
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.
3kbb PHOSPHORYLATED
CARBOHYDRATES
PHOSPHATASE TM_1254

(Thermotoga
maritima) 		PF13419
(HAD_2) 		4 LEU A 105
LEU A 118
MET A  13
THR A 109
 LEU  A 105 ( 0.5A)
LEU  A 118 ( 0.6A)
ARG  A 117 ( 3.6A)
THR  A 109 (-0.8A)
 1.10A 4do3A-3kbbA:
2.3		 4do3A-3kbbA:
15.84
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.
3ksx NITRATE TRANSPORT
PROTEIN

(Xanthomonas
citri) 		PF09084
(NMT1) 		4 LEU A  31
LEU A  82
MET A 232
TRP A 311
 None
 1.38A 4do3A-3ksxA:
1.4		 4do3A-3ksxA:
24.48
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.
3kz3 REPRESSOR PROTEIN CI

(Escherichia
virus Lambda) 		PF01381
(HTH_3) 		4 LEU A  56
LEU A  49
MET A  39
TRP A  21
 None
 1.19A 4do3A-3kz3A:
undetectable		 4do3A-3kz3A:
10.18
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.
3mjf PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Yersinia pestis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 LEU A  15
LEU A 307
MET A 200
TRP A 326
 None
None
None
EDO  A 506 (-4.3A)
 1.39A 4do3A-3mjfA:
2.3		 4do3A-3mjfA:
20.63
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.
3n6r PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Roseobacter
denitrificans) 		PF01039
(Carboxyl_trans) 		4 LEU B 347
LEU B 389
THR B 511
TRP B 455
 None
 1.23A 4do3A-3n6rB:
undetectable		 4do3A-3n6rB:
25.24
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.
3oc4 OXIDOREDUCTASE,
PYRIDINE
NUCLEOTIDE-DISULFIDE
FAMILY

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 244
LEU A 107
MET A  82
THR A 267
 None
 1.49A 4do3A-3oc4A:
undetectable		 4do3A-3oc4A:
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.
3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1

(Homo sapiens) 		PF00452
(Bcl-2) 		4 LEU A 267
LEU A 298
THR A 259
TRP A 305
 None
 1.42A 4do3A-3pk1A:
undetectable		 4do3A-3pk1A:
16.12
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.
3pr1 PROBABLE GTP-BINDING
PROTEIN ENGB

(Thermotoga
maritima) 		PF01926
(MMR_HSR1) 		4 LEU A 184
LEU A 187
MET A 107
THR A 169
 None
 1.09A 4do3A-3pr1A:
undetectable		 4do3A-3pr1A:
14.97
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.
3qxi ENOYL-COA HYDRATASE
ECHA1

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		4 LEU A 161
LEU A 149
MET A 178
THR A 113
 None
 1.11A 4do3A-3qxiA:
undetectable		 4do3A-3qxiA:
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.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		4 LEU A 102
LEU A 141
MET A 445
TRP A 166
 None
 1.28A 4do3A-3sghA:
undetectable		 4do3A-3sghA:
20.88
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.
3tho EXONUCLEASE,
PUTATIVE

(Thermotoga
maritima) 		PF00149
(Metallophos) 		4 LEU B  17
LEU B  38
MET B  81
THR B  12
 None
 1.46A 4do3A-3thoB:
undetectable		 4do3A-3thoB:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tka RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H

(Escherichia
coli) 		PF01795
(Methyltransf_5) 		4 LEU A 140
LEU A 183
MET A 126
THR A 204
 None
 1.30A 4do3A-3tkaA:
undetectable		 4do3A-3tkaA:
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.
3u9r METHYLCROTONYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		4 LEU B 362
LEU B 399
THR B 537
TRP B 465
 None
 1.34A 4do3A-3u9rB:
undetectable		 4do3A-3u9rB:
24.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LEU A1497
LEU A1501
MET A1476
THR A1470
 None
 1.20A 4do3A-3va7A:
undetectable		 4do3A-3va7A:
19.95
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.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		4 LEU A 232
LEU A 235
MET A 329
THR A  69
 None
 1.50A 4do3A-3wrtA:
undetectable		 4do3A-3wrtA:
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.
4akm LYSOSOME-ASSOCIATED
MEMBRANE
GLYCOPROTEIN 3

(Homo sapiens) 		PF01299
(Lamp) 		4 LEU A 360
LEU A 292
MET A 328
THR A 355
 None
 1.32A 4do3A-4akmA:
undetectable		 4do3A-4akmA:
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A 206
LEU A  39
THR A 232
TRP A 240
 None
 1.46A 4do3A-4akoA:
undetectable		 4do3A-4akoA:
21.50
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.
4d25 BMVLG PROTEIN

(Bombyx mori) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 LEU A 344
LEU A 337
MET A 355
THR A 369
 None
 1.22A 4do3A-4d25A:
undetectable		 4do3A-4d25A:
20.74
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.
4fbz DELTARHODOPSIN

(Haloterrigena
thermotolerans) 		PF01036
(Bac_rhodopsin) 		4 LEU A 148
LEU A 182
THR A 141
TRP A 137
 None
None
RET  A 301 (-3.9A)
RET  A 301 (-4.7A)
 1.35A 4do3A-4fbzA:
undetectable		 4do3A-4fbzA:
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.
4jzy CRYPTOCHROME-1

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 LEU A 362
LEU A 443
THR A 379
TRP A 536
 None
 1.45A 4do3A-4jzyA:
undetectable		 4do3A-4jzyA:
23.00
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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		4 LEU A 317
LEU A 344
MET A 357
THR A 375
 None
 1.27A 4do3A-4k17A:
undetectable		 4do3A-4k17A:
24.08
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.
4l35 CRUXRHODOPSIN-3

(Haloarcula
vallismortis) 		PF01036
(Bac_rhodopsin) 		4 LEU A 153
LEU A 187
THR A 146
TRP A 142
 None
None
RET  A 301 (-4.0A)
RET  A 301 (-4.5A)
 1.41A 4do3A-4l35A:
undetectable		 4do3A-4l35A:
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.
4ldp NDP-FOROSAMYLTRANSFE
RASE

(Saccharopolyspora
spinosa) 		PF06722
(DUF1205) 		4 LEU A   8
LEU A  59
MET A  39
THR A 255
 None
 1.40A 4do3A-4ldpA:
2.0		 4do3A-4ldpA:
24.52
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.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		4 LEU A 187
LEU A 167
MET A 172
THR A 233
 None
 1.41A 4do3A-4nx1A:
undetectable		 4do3A-4nx1A:
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.
4w4t MXAA

(Stigmatella
aurantiaca) 		PF07993
(NAD_binding_4) 		4 LEU A1495
MET A1414
THR A1341
TRP A1349
 None
 1.26A 4do3A-4w4tA:
1.1		 4do3A-4w4tA:
24.73
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.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 LEU A 346
LEU A 110
MET A 338
THR A 120
 None
 1.36A 4do3A-4woeA:
2.2		 4do3A-4woeA:
21.39
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.
5fno MANGANESE
LIPOXYGENASE

(Magnaporthe
oryzae) 		PF00305
(Lipoxygenase) 		4 LEU A 427
LEU A 454
MET A 313
TRP A 363
 None
 1.34A 4do3A-5fnoA:
undetectable		 4do3A-5fnoA:
23.88
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.
5hzg F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Oryza sativa) 		no annotation 4 LEU B 384
LEU B 375
MET B 389
THR B 396
 None
 1.39A 4do3A-5hzgB:
undetectable		 4do3A-5hzgB:
22.87
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.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 LEU A 744
LEU A 693
MET A 458
THR A 675
 None
 1.42A 4do3A-5i2gA:
undetectable		 4do3A-5i2gA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 LEU A1497
LEU A1501
MET A1476
THR A1470
 None
 1.27A 4do3A-5i8iA:
32.8		 4do3A-5i8iA:
15.45
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.
5jsb INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1

(Homo sapiens) 		PF00452
(Bcl-2) 		4 LEU A 267
LEU A 298
THR A 259
TRP A 305
 None
 1.50A 4do3A-5jsbA:
undetectable		 4do3A-5jsbA:
16.27
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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		4 LEU A2155
LEU A2090
MET A2002
THR A2063
 None
None
None
SAH  A2201 (-3.7A)
 1.45A 4do3A-5mptA:
undetectable		 4do3A-5mptA:
21.21
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 4 LEU A  49
LEU A  52
THR A  32
TRP A 320
 None
 1.32A 4do3A-5or4A:
undetectable		 4do3A-5or4A:
9.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vev PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Neisseria
gonorrhoeae) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 LEU A  15
LEU A 305
MET A 198
TRP A 324
 None
None
None
EDO  A 506 ( 4.6A)
 1.38A 4do3A-5vevA:
2.6		 4do3A-5vevA:
22.93
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.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		4 LEU A 468
LEU A 434
THR A 365
TRP A 324
 None
 1.30A 4do3A-5wzrA:
undetectable		 4do3A-5wzrA:
21.55
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.
5y00 GREEN FLUORESCENT
PROTEIN

(Olindias) 		no annotation 4 LEU A  69
LEU A  24
MET A  60
THR A 111
 CRQ  A  70 ( 4.3A)
None
None
None
 1.42A 4do3A-5y00A:
undetectable		 4do3A-5y00A:
9.22
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.
6beg SCAFFOLD PROTEIN D13

(Vaccinia virus) 		no annotation 4 LEU A  66
LEU A 171
THR A 160
TRP A 108
 None
 1.43A 4do3A-6begA:
undetectable		 4do3A-6begA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c2j RNAP2

(Escherichia
virus N4) 		no annotation 4 LEU B 179
LEU B 371
THR B 243
TRP B 196
 None
 1.19A 4do3A-6c2jB:
undetectable		 4do3A-6c2jB:
9.19
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.
6gup -

(-) 		no annotation 4 LEU A 273
LEU A 132
MET A 161
THR A 305
 None
 1.09A 4do3A-6gupA:
undetectable		 4do3A-6gupA:
undetectable