SIMILAR PATTERNS OF AMINO ACIDS FOR 3L4D_D_TPFD490

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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		4 PHE A 362
ALA A 296
ALA A 268
THR A 272
 None
 0.95A 3l4dD-1a0cA:
undetectable		 3l4dD-1a0cA:
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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		4 PHE A 360
ALA A 294
ALA A 266
THR A 270
 None
 0.97A 3l4dD-1a0dA:
undetectable		 3l4dD-1a0dA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a0e XYLOSE ISOMERASE

(Thermotoga
neapolitana) 		PF01261
(AP_endonuc_2) 		4 PHE A 362
ALA A 296
ALA A 268
THR A 272
 None
 0.94A 3l4dD-1a0eA:
undetectable		 3l4dD-1a0eA:
22.57
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.
1aep APOLIPOPHORIN III

(Locusta
migratoria) 		no annotation 4 ALA A 133
ALA A 137
THR A 141
LEU A  81
 None
 1.03A 3l4dD-1aepA:
undetectable		 3l4dD-1aepA:
15.97
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.
1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H

(Streptomyces
plicatus) 		PF00704
(Glyco_hydro_18) 		4 PHE A  38
TYR A  28
ALA A  13
THR A 221
 PHE  A  38 ( 1.3A)
TYR  A  28 ( 1.3A)
ALA  A  13 ( 0.0A)
THR  A 221 ( 0.8A)
 1.06A 3l4dD-1c8xA:
undetectable		 3l4dD-1c8xA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dpp DIPEPTIDE BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		4 PHE A  94
ALA A 155
THR A 182
LEU A  85
 None
 1.02A 3l4dD-1dppA:
undetectable		 3l4dD-1dppA:
21.26
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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		4 ALA A 380
ALA A 383
THR A 348
LEU A 336
 None
 1.01A 3l4dD-1e1cA:
undetectable		 3l4dD-1e1cA:
21.59
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.
1mdw CALPAIN II,
CATALYTIC SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		4 ALA A 112
ALA A 110
THR A 208
LEU A 343
 None
 1.06A 3l4dD-1mdwA:
undetectable		 3l4dD-1mdwA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 PHE A 655
ALA A 811
ALA A 815
THR A 819
 None
 0.90A 3l4dD-1n5xA:
undetectable		 3l4dD-1n5xA:
16.19
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.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		4 PHE A 114
ALA A 294
THR A 298
LEU A 359
 DIF  A 501 (-4.5A)
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
DIF  A 501 (-4.4A)
 0.74A 3l4dD-1nr6A:
32.9		 3l4dD-1nr6A:
27.77
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.
1qju PROTEIN VP1

(Rhinovirus A) 		PF00073
(Rhv) 		4 PHE 1 118
ALA 1 116
THR 1 208
MET 1 214
 None
None
None
W01  17001 (-4.1A)
 0.72A 3l4dD-1qju1:
undetectable		 3l4dD-1qju1:
18.06
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		4 PHE A 178
ALA A 214
ALA A 212
THR A 253
 None
 1.06A 3l4dD-1qonA:
undetectable		 3l4dD-1qonA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 MET A  79
PHE A  83
ALA A 256
THR A 260
LEU A 321
 ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
 1.04A 3l4dD-1x8vA:
38.7		 3l4dD-1x8vA:
32.63
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.
2cfo GLUTAMYL-TRNA
SYNTHETASE

(Synechococcus
elongatus) 		PF00749
(tRNA-synt_1c) 		4 ALA A 268
ALA A 272
THR A 276
LEU A  28
 None
 0.94A 3l4dD-2cfoA:
undetectable		 3l4dD-2cfoA:
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.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		4 PHE A  44
ALA A 198
THR A 170
LEU A 195
 None
 1.07A 3l4dD-2d4eA:
undetectable		 3l4dD-2d4eA:
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.
2fym ENOLASE

(Escherichia
coli) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ALA A  22
ALA A  34
THR A 378
LEU A 129
 None
 1.02A 3l4dD-2fymA:
undetectable		 3l4dD-2fymA:
20.52
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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		4 ALA A  68
ALA A 298
LEU A  84
MET A 305
 None
 0.99A 3l4dD-2glfA:
undetectable		 3l4dD-2glfA:
21.91
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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		4 ALA A 293
ALA A 287
THR A 522
LEU A 466
 None
 1.02A 3l4dD-2grvA:
undetectable		 3l4dD-2grvA:
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		4 TYR A 247
ALA A 257
ALA A 261
THR A 265
 None
 0.90A 3l4dD-2hj0A:
undetectable		 3l4dD-2hj0A:
20.11
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.
2hzk TRAP-T FAMILY
SORBITOL/MANNITOL
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, SMOM

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		4 MET A 320
PHE A 327
TYR A 317
ALA A 109
 None
 1.01A 3l4dD-2hzkA:
undetectable		 3l4dD-2hzkA:
22.17
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.
2i80 D-ALANINE-D-ALANINE
LIGASE

(Staphylococcus
aureus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 MET A 133
PHE A 137
ALA A 280
ALA A 292
 None
 1.00A 3l4dD-2i80A:
undetectable		 3l4dD-2i80A:
19.87
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.
2lle CHEMOTAXIS PROTEIN
CHEY, IMIDAZOLE
GLYCEROL PHOSPHATE
SYNTHASE SUBUNIT
HISF CHIMERA

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00977
(His_biosynth) 		4 PHE A 206
ALA A 202
ALA A 200
LEU A 220
 None
 0.99A 3l4dD-2lleA:
undetectable		 3l4dD-2lleA:
18.70
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.
2m5t HUMAN RHINOVIRUS 2A
PROTEINASE

(Rhinovirus C) 		PF00947
(Pico_P2A) 		4 ALA A  30
ALA A  33
THR A 120
LEU A  93
 None
 0.89A 3l4dD-2m5tA:
undetectable		 3l4dD-2m5tA:
16.63
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.
2pth PEPTIDYL-TRNA
HYDROLASE

(Escherichia
coli) 		PF01195
(Pept_tRNA_hydro) 		4 ALA A 164
ALA A 168
THR A 172
LEU A  89
 None
 0.88A 3l4dD-2pthA:
undetectable		 3l4dD-2pthA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlt (DL)-GLYCEROL-3-PHOS
PHATASE 1

(Saccharomyces
cerevisiae) 		PF13419
(HAD_2) 		4 TYR A 174
ALA A 203
ALA A 201
THR A 221
 None
None
CA  A 278 ( 4.2A)
None
 0.99A 3l4dD-2qltA:
undetectable		 3l4dD-2qltA:
18.42
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		4 ALA A 112
ALA A 116
THR A 120
LEU A 179
 None
 1.00A 3l4dD-2ragA:
undetectable		 3l4dD-2ragA:
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.
2w1p
AQUAPORIN PIP2-7 7

(Komagataella
pastoris) 		PF00230
(MIP) 		4 PHE A  56
ALA A 144
ALA A 148
THR A 152
 None
 0.73A 3l4dD-2w1pA:
undetectable		 3l4dD-2w1pA:
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.
2zpa UNCHARACTERIZED
PROTEIN YPFI

(Escherichia
coli) 		PF05127
(Helicase_RecD)
PF08351
(DUF1726)
PF13718
(GNAT_acetyltr_2)
PF17176
(tRNA_bind_3) 		4 PHE A  84
ALA A  86
ALA A  90
LEU A 326
 None
 0.74A 3l4dD-2zpaA:
undetectable		 3l4dD-2zpaA:
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.
3hpd HYDROXYETHYLTHIAZOLE
KINASE

(Pyrococcus
horikoshii) 		PF02110
(HK) 		4 ALA A 228
ALA A 224
THR A 220
LEU A 200
 None
 1.06A 3l4dD-3hpdA:
undetectable		 3l4dD-3hpdA:
19.87
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.
3hva PROTEIN FIMX

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		4 MET A 285
PHE A 281
ALA A 351
ALA A 302
 None
 1.01A 3l4dD-3hvaA:
undetectable		 3l4dD-3hvaA:
19.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 MET A 106
PHE A 110
ALA A 287
ALA A 291
THR A 295
 VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 0.63A 3l4dD-3kswA:
44.7		 3l4dD-3kswA:
76.04
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 ALA A 165
ALA A 161
THR A 157
LEU A 150
 None
 1.02A 3l4dD-3l76A:
undetectable		 3l4dD-3l76A:
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		4 ALA A 396
ALA A 400
THR A 404
LEU A 353
 None
 0.93A 3l4dD-3nd0A:
undetectable		 3l4dD-3nd0A:
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.
3o4o INTERLEUKIN-1
RECEPTOR ACCESSORY
PROTEIN

(Homo sapiens) 		PF13927
(Ig_3) 		4 TYR B 101
ALA B  44
ALA B  41
LEU B  29
 NAG  B 340 (-4.0A)
None
None
None
 0.84A 3l4dD-3o4oB:
undetectable		 3l4dD-3o4oB:
19.07
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.
3oo9 ABC TRANSPORTER
BINDING PROTEIN ACBH

(Actinoplanes
sp. SE50/110) 		PF01547
(SBP_bac_1) 		4 PHE A 320
TYR A 127
ALA A  33
THR A  53
 None
None
None
SO4  A 407 ( 4.3A)
 1.03A 3l4dD-3oo9A:
undetectable		 3l4dD-3oo9A:
18.14
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.
3p3l CYTOCHROME P450

(Streptomyces
thioluteus) 		PF00067
(p450) 		4 PHE A  89
ALA A 243
THR A 247
LEU A 290
 None
HEM  A 501 (-3.5A)
HEM  A 501 (-3.6A)
HEM  A 501 (-4.5A)
 0.69A 3l4dD-3p3lA:
18.3		 3l4dD-3p3lA:
22.25
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.
3p5m ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 ALA A 107
ALA A 109
THR A  85
LEU A 210
 None
 1.06A 3l4dD-3p5mA:
undetectable		 3l4dD-3p5mA:
19.52
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.
3p5m ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 ALA A 107
ALA A 109
THR A  85
LEU A 213
 None
 0.98A 3l4dD-3p5mA:
undetectable		 3l4dD-3p5mA:
19.52
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.
3pxp HELIX-TURN-HELIX
DOMAIN PROTEIN

(Chloroflexus
aurantiacus) 		PF13560
(HTH_31) 		4 MET A 151
PHE A 155
ALA A 173
THR A 220
 None
 0.97A 3l4dD-3pxpA:
undetectable		 3l4dD-3pxpA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qta CHEMOTAXIS PROTEIN
CHEC

(Haloarcula
marismortui) 		PF13690
(CheX) 		4 PHE A  79
ALA A  84
ALA A  88
THR A  92
 None
 0.57A 3l4dD-3qtaA:
undetectable		 3l4dD-3qtaA:
19.07
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.
3r44 FATTY ACYL COA
SYNTHETASE FADD13
(FATTY-ACYL-COA
SYNTHETASE)

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 231
ALA A 253
THR A 485
LEU A 286
 None
 0.88A 3l4dD-3r44A:
undetectable		 3l4dD-3r44A:
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 PHE C 655
ALA C 811
ALA C 815
THR C 819
 None
 0.89A 3l4dD-3sr6C:
undetectable		 3l4dD-3sr6C:
21.61
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.
3tqx 2-AMINO-3-KETOBUTYRA
TE COENZYME A LIGASE

(Coxiella
burnetii) 		PF00155
(Aminotran_1_2) 		4 MET A 156
TYR A 151
ALA A 189
THR A 223
 None
 1.02A 3l4dD-3tqxA:
undetectable		 3l4dD-3tqxA:
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.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 TYR A 440
ALA A 391
ALA A 395
THR A 399
 None
 0.88A 3l4dD-3uonA:
undetectable		 3l4dD-3uonA:
21.24
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.
3wiw GLYCOSYL HYDROLASE
FAMILY 88

(Pedobacter
heparinus) 		PF07470
(Glyco_hydro_88) 		4 PHE A 294
ALA A 245
ALA A 249
LEU A 316
 None
 0.81A 3l4dD-3wiwA:
undetectable		 3l4dD-3wiwA:
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.
3x17 ENDOGLUCANASE

(uncultured
bacterium) 		no annotation 4 PHE B 223
ALA B 222
ALA B 575
LEU B 484
 None
 1.06A 3l4dD-3x17B:
undetectable		 3l4dD-3x17B:
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		4 TYR A 387
ALA A 360
ALA A 350
LEU A 336
 FAD  A1509 (-3.5A)
None
None
None
 1.06A 3l4dD-3zxsA:
undetectable		 3l4dD-3zxsA:
22.08
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.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		4 MET A 150
ALA A 270
ALA A 186
LEU A 238
 None
 1.03A 3l4dD-4c1tA:
undetectable		 3l4dD-4c1tA:
22.06
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.
4ci6 PROTEIN KINASE YOPO

(Yersinia
enterocolitica) 		PF00069
(Pkinase)
PF09632
(Rac1) 		4 PHE B 404
TYR B 378
ALA B 248
LEU B 223
 None
 1.04A 3l4dD-4ci6B:
2.8		 3l4dD-4ci6B:
20.53
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.
4fha DIHYDRODIPICOLINATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00701
(DHDPS) 		4 PHE A 104
ALA A  81
ALA A  48
THR A  17
 None
 0.99A 3l4dD-4fhaA:
undetectable		 3l4dD-4fhaA:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		7 MET A 106
PHE A 110
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.42A 3l4dD-4g3jA:
57.6		 3l4dD-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		7 MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 0.43A 3l4dD-4g3jA:
57.6		 3l4dD-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		4 PHE A 110
TYR A 103
ALA A 287
ALA A 291
 VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
 0.47A 3l4dD-4g3jA:
57.6		 3l4dD-4g3jA:
78.62
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.
4g8d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Ochrobactrum
sp. T63) 		PF00561
(Abhydrolase_1) 		4 ALA A 260
ALA A 263
LEU A  27
MET A 122
 None
 1.07A 3l4dD-4g8dA:
undetectable		 3l4dD-4g8dA:
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 181
ALA A 215
ALA A 219
THR A 251
LEU A 227
 None
 1.46A 3l4dD-4hnlA:
undetectable		 3l4dD-4hnlA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hz4 GLUTATHIONE-S-TRANSF
ERASE

(Actinobacillus
pleuropneumoniae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ALA A 193
ALA A 197
THR A 201
LEU A  30
 None
 0.67A 3l4dD-4hz4A:
undetectable		 3l4dD-4hz4A:
18.64
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 TYR A 298
ALA A 504
ALA A 305
LEU A 313
 None
 0.99A 3l4dD-4jsoA:
undetectable		 3l4dD-4jsoA:
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.
4l0c DEFORMYLASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		4 MET A   1
PHE A  18
ALA A  42
LEU A 166
 None
 0.94A 3l4dD-4l0cA:
undetectable		 3l4dD-4l0cA:
19.69
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.
4l15 FIDGETIN-LIKE
PROTEIN 1

(Caenorhabditis
elegans) 		PF00004
(AAA)
PF09336
(Vps4_C) 		4 MET A 307
PHE A 378
ALA A 404
THR A 290
 None
 0.87A 3l4dD-4l15A:
undetectable		 3l4dD-4l15A:
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.
4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Rhodoferax
ferrireducens) 		PF03480
(DctP) 		4 PHE A 219
ALA A 157
ALA A 211
LEU A 185
 None
 0.97A 3l4dD-4mcoA:
undetectable		 3l4dD-4mcoA:
20.33
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.
4mm0 P450-LIKE
MONOOXYGENASE

(Streptomyces
griseoviridis) 		PF00067
(p450) 		4 PHE A 141
ALA A 117
ALA A 360
LEU A 266
 None
 0.94A 3l4dD-4mm0A:
30.3		 3l4dD-4mm0A:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 PHE A 567
TYR A 561
ALA A 600
ALA A 596
 None
 0.96A 3l4dD-4oqjA:
undetectable		 3l4dD-4oqjA:
18.72
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.
4pz0 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Bacillus
anthracis) 		PF13407
(Peripla_BP_4) 		4 PHE A  38
ALA A  55
ALA A 279
LEU A 331
 None
 1.02A 3l4dD-4pz0A:
undetectable		 3l4dD-4pz0A:
20.89
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.
4q6x PHOSPHOLIPASE D
STSICTOX-BETAIC1

(Sicarius
terrosus) 		no annotation 4 PHE A 141
ALA A 105
ALA A  42
LEU A  67
 None
 1.07A 3l4dD-4q6xA:
undetectable		 3l4dD-4q6xA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 PHE A 120
TYR A 114
ALA A 173
ALA A 169
 None
 0.95A 3l4dD-4qbuA:
undetectable		 3l4dD-4qbuA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 TYR A 543
ALA A 494
ALA A 498
THR A 502
 None
 0.88A 3l4dD-4u14A:
undetectable		 3l4dD-4u14A:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		4 PHE A 139
TYR A 145
ALA A 311
THR A 315
 VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
 0.69A 3l4dD-4uhiA:
38.2		 3l4dD-4uhiA:
35.73
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.
4wvm STONUSTOXIN SUBUNIT
ALPHA
STONUSTOXIN SUBUNIT
BETA

(Synanceia
horrida) 		PF00622
(SPRY)
PF13765
(PRY) 		4 PHE B 211
ALA B 149
ALA B 111
LEU A 215
 None
 0.89A 3l4dD-4wvmB:
2.6		 3l4dD-4wvmB:
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Drosophila
melanogaster) 		PF13191
(AAA_16)
PF14630
(ORC5_C) 		4 MET E  80
ALA E 128
LEU E 139
MET E 134
 None
 0.95A 3l4dD-4xgcE:
undetectable		 3l4dD-4xgcE:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xi0 MAGNETOSOME PROTEIN
MAMA

(Desulfovibrio
magneticus) 		PF07719
(TPR_2)
PF13432
(TPR_16) 		4 PHE A 111
TYR A 115
ALA A 140
LEU A 174
 None
 0.97A 3l4dD-4xi0A:
undetectable		 3l4dD-4xi0A:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 MET A 173
PHE A 360
ALA A 191
ALA A 194
 None
 1.06A 3l4dD-4yrpA:
undetectable		 3l4dD-4yrpA:
22.37
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 MET A 779
ALA A 811
ALA A 815
THR A 819
 None
 1.07A 3l4dD-4yswA:
undetectable		 3l4dD-4yswA:
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 PHE A 655
ALA A 811
ALA A 815
THR A 819
 None
 0.80A 3l4dD-4yswA:
undetectable		 3l4dD-4yswA:
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.
5apm VP1
VP3

(Parechovirus A) 		no annotation 4 PHE A 206
ALA A 108
THR A 216
LEU B 130
 None
 1.06A 3l4dD-5apmA:
undetectable		 3l4dD-5apmA:
18.12
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 4 PHE A  74
ALA A  72
ALA A 129
LEU A 186
 None
 0.81A 3l4dD-5b5zA:
undetectable		 3l4dD-5b5zA:
20.98
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.
5dsg MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 TYR A 453
ALA A 404
ALA A 408
THR A 412
 None
 1.01A 3l4dD-5dsgA:
undetectable		 3l4dD-5dsgA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e0n ENOYL-COA
HYDRATASE/ISOMERASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		4 PHE X  64
ALA X 125
LEU X  43
MET X  36
 None
 0.98A 3l4dD-5e0nX:
undetectable		 3l4dD-5e0nX:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eup CENTROSOME-ASSOCIATE
D ZINC FINGER
PROTEIN CP190

(Drosophila
melanogaster) 		PF00651
(BTB) 		4 MET A  72
PHE A  36
ALA A  78
LEU A  49
 None
 1.02A 3l4dD-5eupA:
undetectable		 3l4dD-5eupA:
16.52
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.
5f2o FATTY ACID
O-METHYLTRANSFERASE

(Mycobacterium
marinum) 		PF03492
(Methyltransf_7) 		4 PHE A 222
TYR A 224
ALA A 258
ALA A 154
 None
5UF  A 401 ( 4.3A)
None
5UF  A 401 ( 4.9A)
 0.64A 3l4dD-5f2oA:
undetectable		 3l4dD-5f2oA:
22.86
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.
5fcl CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Pectobacterium
atrosepticum) 		PF01867
(Cas_Cas1) 		4 ALA A 234
ALA A 238
THR A 242
LEU A 314
 None
 0.82A 3l4dD-5fclA:
undetectable		 3l4dD-5fclA:
22.70
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.
5fsh CSM6

(Thermus
thermophilus) 		PF09670
(Cas_Cas02710) 		4 ALA A  63
ALA A  65
THR A  95
LEU A  99
 None
 0.97A 3l4dD-5fshA:
undetectable		 3l4dD-5fshA:
22.94
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.
5gmx CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		4 MET A  76
PHE A 187
ALA A 192
ALA A 197
 None
 1.00A 3l4dD-5gmxA:
undetectable		 3l4dD-5gmxA:
22.13
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.
5gmx CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		4 TYR A  92
ALA A 169
ALA A 173
THR A 177
 None
 0.98A 3l4dD-5gmxA:
undetectable		 3l4dD-5gmxA:
22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		4 PHE A 135
TYR A 141
LEU A 381
MET A 512
 1YN  A 602 ( 4.6A)
HEM  A 601 (-4.2A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-3.5A)
 0.71A 3l4dD-5jlcA:
39.3		 3l4dD-5jlcA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		4 PHE A 135
TYR A 141
THR A 319
LEU A 381
 1YN  A 602 ( 4.6A)
HEM  A 601 (-4.2A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
 0.67A 3l4dD-5jlcA:
39.3		 3l4dD-5jlcA:
31.13
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 PHE A 395
ALA A 338
THR A 301
LEU A 622
 None
 0.91A 3l4dD-5jm0A:
undetectable		 3l4dD-5jm0A:
17.04
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.
5k3h ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 ALA A 353
ALA A 357
THR A 361
LEU A 386
 None
 0.66A 3l4dD-5k3hA:
2.5		 3l4dD-5k3hA:
21.75
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		4 ALA A1994
ALA A1998
THR A2002
LEU A2009
 None
 0.99A 3l4dD-5lkiA:
2.9		 3l4dD-5lkiA:
10.10
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.
5t0z LIPOPROTEIN,
PUTATIVE

(Geobacter
metallireducens) 		no annotation 4 ALA A  51
ALA A  55
THR A  59
LEU A 133
 None
 0.84A 3l4dD-5t0zA:
undetectable		 3l4dD-5t0zA:
18.06
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.
5ufy ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE A 572
ALA A 583
ALA A 587
LEU A 434
 None
 1.03A 3l4dD-5ufyA:
undetectable		 3l4dD-5ufyA:
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.
5ug1 ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE A 572
ALA A 583
ALA A 587
LEU A 434
 None
 1.02A 3l4dD-5ug1A:
undetectable		 3l4dD-5ug1A:
17.19
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 4 TYR A 510
ALA A 108
THR A  60
LEU A  87
 None
 1.04A 3l4dD-5xqoA:
undetectable		 3l4dD-5xqoA:
9.72
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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1
ATP-DEPENDENT DNA
HELICASE II SUBUNIT
2

(Saccharomyces
cerevisiae) 		no annotation 4 PHE B 347
ALA B 394
ALA B 396
LEU A 545
 None
 1.04A 3l4dD-5y58B:
undetectable		 3l4dD-5y58B:
10.09
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.
5yhj CYTOCHROME P450

(Exiguobacterium
sp. AT1b) 		no annotation 4 PHE A  79
ALA A  70
ALA A 290
LEU A 314
 None
None
None
HEM  A 501 (-4.9A)
 0.92A 3l4dD-5yhjA:
32.1		 3l4dD-5yhjA:
12.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 7 MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.85A 3l4dD-6ay4A:
46.4		 3l4dD-6ay4A:
36.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6chs PUTATIVE CELL
DIVISION CONTROL
PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 ALA H 271
ALA H 275
THR H 278
LEU H 240
 None
 1.01A 3l4dD-6chsH:
undetectable		 3l4dD-6chsH:
10.42
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.
6con COA-TRANSFERASE
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 4 ALA A 219
ALA A 179
LEU A 200
MET A 226
 None
 1.01A 3l4dD-6conA:
undetectable		 3l4dD-6conA:
10.81
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.
6d47 BETA SLIDING CLAMP

(Mycobacterium
marinum) 		no annotation 4 MET A 299
PHE A 301
ALA A 275
LEU A 344
 None
 0.91A 3l4dD-6d47A:
undetectable		 3l4dD-6d47A:
9.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1

(Mus musculus) 		no annotation 4 PHE H  56
ALA H 221
THR H 229
LEU H  83
 None
 1.04A 3l4dD-6g72H:
undetectable		 3l4dD-6g72H:
11.53