SIMILAR PATTERNS OF AMINO ACIDS FOR 2E1Q_D_SALD5006

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.
1ako EXONUCLEASE III

(Escherichia
coli) 		PF03372
(Exo_endo_phos) 		4 PHE A 266
THR A 198
LEU A 195
ALA A 238
 None
 1.14A 2e1qD-1akoA:
0.0		 2e1qD-1akoA:
11.18
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.
1eb6 NEUTRAL PROTEASE II

(Aspergillus
oryzae) 		PF02102
(Peptidase_M35) 		4 ARG A  52
PHE A  40
LEU A  59
ALA A  31
 None
 1.48A 2e1qD-1eb6A:
undetectable		 2e1qD-1eb6A:
8.86
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.
1js1 TRANSCARBAMYLASE

(Bacteroides
fragilis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ARG X 110
PHE X  43
THR X  50
LEU X  52
 PO4  X 501 (-3.0A)
None
PO4  X 501 (-4.2A)
None
 1.22A 2e1qD-1js1X:
0.0		 2e1qD-1js1X:
13.28
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.
1lu2 LECTIN

(Vigna
unguiculata) 		PF00139
(Lectin_legB) 		4 ARG A  99
PHE A 108
LEU A 200
ALA A 117
 None
 1.24A 2e1qD-1lu2A:
0.0		 2e1qD-1lu2A:
11.80
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.
1ml4 ASPARTATE
TRANSCARBAMOYLASE

(Pyrococcus
abyssi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ARG A 107
PHE A  51
THR A  58
LEU A  60
 PAL  A 385 (-2.8A)
None
PAL  A 385 (-3.7A)
None
 1.39A 2e1qD-1ml4A:
undetectable		 2e1qD-1ml4A:
13.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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) 		5 ARG A 880
PHE A 914
THR A1010
LEU A1014
ALA A1079
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
None
TEI  A3006 ( 3.8A)
 0.21A 2e1qD-1n5xA:
45.7		 2e1qD-1n5xA:
89.49
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.
1otk PHENYLACETIC ACID
DEGRADATION PROTEIN
PAAC

(Escherichia
coli) 		PF05138
(PaaA_PaaC) 		4 ARG A 132
THR A 110
LEU A 108
ALA A 131
 None
 1.33A 2e1qD-1otkA:
0.0		 2e1qD-1otkA:
10.53
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		4 PHE A 164
THR A 113
LEU A  60
ALA A 127
 None
 1.39A 2e1qD-1p9eA:
0.0		 2e1qD-1p9eA:
13.46
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.
1pg5 ASPARTATE
CARBAMOYLTRANSFERASE

(Sulfolobus
acidocaldarius) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ARG A 101
PHE A  45
THR A  52
LEU A  54
 None
 1.50A 2e1qD-1pg5A:
undetectable		 2e1qD-1pg5A:
12.65
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.
1stz HEAT-INDUCIBLE
TRANSCRIPTION
REPRESSOR HRCA
HOMOLOG

(Thermotoga
maritima) 		PF01628
(HrcA) 		4 PHE A 290
THR A 312
LEU A  84
ALA A 288
 None
 1.42A 2e1qD-1stzA:
undetectable		 2e1qD-1stzA:
14.19
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.
1tvc METHANE
MONOOXYGENASE
COMPONENT C

(Methylococcus
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 PHE A 153
THR A 128
LEU A 246
ALA A 125
 None
None
FDA  A 252 (-4.1A)
None
 1.44A 2e1qD-1tvcA:
undetectable		 2e1qD-1tvcA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1veu MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1 INTERACTING
PROTEIN 1

(Mus musculus) 		PF08923
(MAPKK1_Int) 		4 ARG A  85
PHE A 114
LEU A 106
ALA A 111
 None
 1.19A 2e1qD-1veuA:
undetectable		 2e1qD-1veuA:
7.59
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.
1vlv ORNITHINE
CARBAMOYLTRANSFERASE

(Thermotoga
maritima) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ARG A 108
PHE A  53
THR A  60
LEU A  62
 PO4  A 314 (-3.3A)
None
PO4  A 314 (-3.9A)
None
 1.26A 2e1qD-1vlvA:
undetectable		 2e1qD-1vlvA:
13.59
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.
1w07 ACYL-COA OXIDASE

(Arabidopsis
thaliana) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 PHE A 344
THR A 388
LEU A 337
ALA A 341
 None
 1.22A 2e1qD-1w07A:
undetectable		 2e1qD-1w07A:
20.30
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.
2a0j PTS SYSTEM, NITROGEN
REGULATORY IIA
PROTEIN

(Neisseria
meningitidis) 		PF00359
(PTS_EIIA_2) 		4 PHE A  89
THR A  57
LEU A  59
ALA A  91
 None
 1.30A 2e1qD-2a0jA:
undetectable		 2e1qD-2a0jA:
8.25
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.
2av9 THIOESTERASE

(Pseudomonas
aeruginosa) 		PF03061
(4HBT) 		4 ARG A   6
PHE A  73
LEU A 102
ALA A  74
 None
 1.43A 2e1qD-2av9A:
undetectable		 2e1qD-2av9A:
7.53
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.
2be7 ASPARTATE
CARBAMOYLTRANSFERASE
CATALYTIC CHAIN

(Moritella
profunda) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ARG A 106
PHE A  49
THR A  56
LEU A  58
 None
None
SO4  A 311 (-4.3A)
None
 1.49A 2e1qD-2be7A:
undetectable		 2e1qD-2be7A:
12.67
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.
2c1z UDP-GLUCOSE
FLAVONOID 3-O
GLYCOSYLTRANSFERASE

(Vitis vinifera) 		PF00201
(UDPGT) 		4 PHE A 121
THR A 141
LEU A 147
ALA A 120
 KMP  A1456 (-4.5A)
U2F  A1457 (-3.9A)
None
None
 1.36A 2e1qD-2c1zA:
undetectable		 2e1qD-2c1zA:
14.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ARG A 462
THR A 490
LEU A 494
ALA A 515
 None
 1.47A 2e1qD-2c3dA:
undetectable		 2e1qD-2c3dA:
17.26
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ARG A 649
THR A 642
LEU A 460
ALA A 644
 None
 1.15A 2e1qD-2f3oA:
undetectable		 2e1qD-2f3oA:
21.67
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.
2fon PEROXISOMAL ACYL-COA
OXIDASE 1A

(Solanum
lycopersicum) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 PHE A 344
THR A 388
LEU A 337
ALA A 341
 None
 1.14A 2e1qD-2fonA:
1.1		 2e1qD-2fonA:
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.
2gz4 HYPOTHETICAL PROTEIN
ATU1052

(Agrobacterium
fabrum) 		no annotation 4 ARG A  40
THR A 182
LEU A 179
ALA A  39
 None
 1.45A 2e1qD-2gz4A:
undetectable		 2e1qD-2gz4A:
10.28
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.
2jjf L-LYSINE EPSILON
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		4 ARG A  41
THR A  40
LEU A  37
ALA A  50
 None
 1.42A 2e1qD-2jjfA:
undetectable		 2e1qD-2jjfA:
15.14
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.
2qnr SEPTIN-2

(Homo sapiens) 		PF00735
(Septin) 		4 ARG A 145
PHE A 126
THR A 291
LEU A 294
 None
 0.93A 2e1qD-2qnrA:
undetectable		 2e1qD-2qnrA:
12.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vml PHYCOCYANIN ALPHA
CHAIN

(Gloeobacter
violaceus) 		PF00502
(Phycobilisome) 		4 ARG A  33
THR A 148
LEU A 142
ALA A  36
 None
 1.40A 2e1qD-2vmlA:
undetectable		 2e1qD-2vmlA:
8.87
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ARG B 310
PHE B 344
THR B 460
LEU B 464
ALA B 529
 HPA  B1780 (-3.4A)
HPA  B1780 (-3.4A)
HPA  B1780 (-3.6A)
None
HPA  B1780 ( 3.2A)
 0.38A 2e1qD-2w55B:
52.5		 2e1qD-2w55B:
26.56
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.
2xj9 MIPZ

(Caulobacter
vibrioides) 		PF09140
(MipZ) 		4 ARG A  55
PHE A  52
THR A  27
LEU A  29
 None
 1.23A 2e1qD-2xj9A:
undetectable		 2e1qD-2xj9A:
11.39
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.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2

(Saccharomyces
cerevisiae) 		PF04072
(LCM)
PF13418
(Kelch_4) 		4 ARG A 193
PHE A 184
THR A 186
ALA A 192
 None
 1.44A 2e1qD-2zwaA:
undetectable		 2e1qD-2zwaA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		4 ARG A  28
THR A  74
LEU A  91
ALA A  78
 None
 1.46A 2e1qD-2zwvA:
undetectable		 2e1qD-2zwvA:
15.47
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.
3a21 PUTATIVE SECRETED
ALPHA-GALACTOSIDASE

(Streptomyces
avermitilis) 		PF00652
(Ricin_B_lectin)
PF16499
(Melibiase_2) 		4 ARG A 384
THR A 382
LEU A 371
ALA A 348
 GOL  A 915 ( 4.6A)
GOL  A 917 (-4.1A)
None
GOL  A 915 (-3.4A)
 1.17A 2e1qD-3a21A:
undetectable		 2e1qD-3a21A:
19.19
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.
3bg2 DGTP
TRIPHOSPHOHYDROLASE

(Leeuwenhoekiella
blandensis) 		PF01966
(HD) 		4 PHE A  31
THR A 185
LEU A 245
ALA A 107
 None
 1.39A 2e1qD-3bg2A:
undetectable		 2e1qD-3bg2A:
16.56
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.
3bhn THIJ/PFPI DOMAIN
PROTEIN

(Shewanella
loihica) 		PF01965
(DJ-1_PfpI) 		4 PHE A  83
THR A  38
LEU A  36
ALA A  86
 EDO  A 219 ( 4.2A)
EDO  A 219 (-3.3A)
None
None
 1.15A 2e1qD-3bhnA:
undetectable		 2e1qD-3bhnA:
10.64
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.
3bhn THIJ/PFPI DOMAIN
PROTEIN

(Shewanella
loihica) 		PF01965
(DJ-1_PfpI) 		4 PHE A 166
THR A  27
LEU A  24
ALA A 162
 None
 1.16A 2e1qD-3bhnA:
undetectable		 2e1qD-3bhnA:
10.64
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.
3d6n ASPARTATE
CARBAMOYLTRANSFERASE

(Aquifex
aeolicus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ARG B  97
PHE B  41
THR B  48
LEU B  50
 FLC  B 292 (-2.8A)
None
FLC  B 292 (-4.1A)
None
 1.37A 2e1qD-3d6nB:
undetectable		 2e1qD-3d6nB:
11.87
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.
3gd5 ORNITHINE
CARBAMOYLTRANSFERASE

(Gloeobacter
violaceus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ARG A 110
PHE A  55
THR A  62
ALA A  58
 None
 1.43A 2e1qD-3gd5A:
undetectable		 2e1qD-3gd5A:
13.37
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 ARG A  88
THR A 129
LEU A 176
ALA A 247
 ARG  A  88 ( 0.6A)
THR  A 129 ( 0.8A)
LEU  A 176 ( 0.6A)
ALA  A 247 ( 0.0A)
 1.44A 2e1qD-3gnrA:
undetectable		 2e1qD-3gnrA:
16.59
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.
3gzd SELENOCYSTEINE LYASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		4 ARG C 185
THR C 164
LEU C 152
ALA C 162
 None
 1.11A 2e1qD-3gzdC:
undetectable		 2e1qD-3gzdC:
16.37
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.
3hvn HEMOLYSIN

(Streptococcus
suis) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		4 PHE A 291
THR A 313
LEU A 338
ALA A 294
 None
 1.34A 2e1qD-3hvnA:
0.7		 2e1qD-3hvnA:
17.61
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.
3if2 AMINOTRANSFERASE

(Psychrobacter
arcticus) 		PF00155
(Aminotran_1_2) 		4 PHE A  87
THR A 283
LEU A 278
ALA A 313
 None
 1.36A 2e1qD-3if2A:
undetectable		 2e1qD-3if2A:
15.09
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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		4 ARG A  36
THR A 102
LEU A 177
ALA A 225
 None
 1.20A 2e1qD-3ik2A:
undetectable		 2e1qD-3ik2A:
17.21
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.
3k5p D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Brucella
abortus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ARG A  98
PHE A  71
LEU A  48
ALA A  74
 None
 1.37A 2e1qD-3k5pA:
undetectable		 2e1qD-3k5pA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		4 ARG A 315
THR A  51
LEU A  42
ALA A 136
 LEU  A 400 (-2.7A)
LEU  A 400 ( 4.1A)
None
LEU  A 400 ( 4.3A)
 1.12A 2e1qD-3lopA:
undetectable		 2e1qD-3lopA:
14.46
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.
3lxm ASPARTATE
CARBAMOYLTRANSFERASE

(Yersinia pestis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ARG A 106
PHE A  49
THR A  56
LEU A  58
 PG4  A 312 (-3.0A)
None
PG4  A 312 (-4.3A)
None
 1.43A 2e1qD-3lxmA:
undetectable		 2e1qD-3lxmA:
13.65
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.
3nx3 ACETYLORNITHINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00202
(Aminotran_3) 		4 PHE A 134
THR A 145
LEU A 157
ALA A 141
 None
 1.43A 2e1qD-3nx3A:
undetectable		 2e1qD-3nx3A:
14.71
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 379
PHE A 347
LEU A 303
ALA A 317
 None
 1.35A 2e1qD-3q4tA:
undetectable		 2e1qD-3q4tA:
13.19
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.
3rx8 CELLULASE

(Alicyclobacillus
acidocaldarius) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 ARG A 275
THR A 320
LEU A 257
ALA A 271
 None
 1.09A 2e1qD-3rx8A:
undetectable		 2e1qD-3rx8A:
18.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ARG C 880
PHE C 914
THR C1010
LEU C1014
ALA C1079
 None
RMO  C1317 (-3.6A)
None
None
RMO  C1317 ( 3.6A)
 0.35A 2e1qD-3sr6C:
62.3		 2e1qD-3sr6C:
61.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3urr PTS IIA-LIKE
NITROGEN-REGULATORY
PROTEIN PTSN

(Burkholderia
thailandensis) 		PF00359
(PTS_EIIA_2) 		4 PHE A  89
THR A  57
LEU A  59
ALA A  91
 None
None
None
PO4  A 154 (-4.8A)
 1.34A 2e1qD-3urrA:
undetectable		 2e1qD-3urrA:
8.66
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		4 PHE A 603
THR A 707
LEU A  85
ALA A 606
 None
 1.48A 2e1qD-3wnpA:
undetectable		 2e1qD-3wnpA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 4 ARG A  75
THR A 112
LEU A 150
ALA A 200
 GLA  A1608 ( 4.9A)
None
None
None
 1.48A 2e1qD-4aw7A:
undetectable		 2e1qD-4aw7A:
17.57
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.
4bwk PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN-3

(Neurospora
crassa) 		no annotation 4 ARG A 482
THR A 478
LEU A 476
ALA A 461
 None
 1.35A 2e1qD-4bwkA:
undetectable		 2e1qD-4bwkA:
15.96
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.
4bwy P4

(Pseudomonas
phage phi8) 		PF11602
(NTPase_P4) 		4 ARG A 210
THR A 240
LEU A 107
ALA A 105
 None
 1.49A 2e1qD-4bwyA:
undetectable		 2e1qD-4bwyA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4co6 NUCLEOPROTEIN

(Nipah
henipavirus) 		PF00973
(Paramyxo_ncap) 		4 PHE A 333
THR A 277
LEU A 275
ALA A 334
 None
 1.37A 2e1qD-4co6A:
undetectable		 2e1qD-4co6A:
13.85
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.
4f2g ORNITHINE
CARBAMOYLTRANSFERASE
1

(Burkholderia
thailandensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ARG A 107
PHE A  52
THR A  59
LEU A  61
 PO4  A 402 (-3.0A)
None
PO4  A 402 (-3.8A)
None
 1.43A 2e1qD-4f2gA:
undetectable		 2e1qD-4f2gA:
12.72
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.
4ibn RIBONUCLEASE H

(uncultured
organism) 		PF00075
(RNase_H) 		4 ARG A  88
THR A  14
LEU A  16
ALA A 140
 None
 1.45A 2e1qD-4ibnA:
undetectable		 2e1qD-4ibnA:
10.38
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.
4jjn HISTONE H2A.2
HISTONE H2B.2
REGULATORY PROTEIN
SIR3

(Saccharomyces
cerevisiae) 		PF00125
(Histone)
PF01426
(BAH)
PF16211
(Histone_H2A_C) 		4 ARG K  30
THR D  51
LEU D  48
ALA C  61
 None
 1.43A 2e1qD-4jjnK:
undetectable		 2e1qD-4jjnK:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jvs PUTATIVE
UNCHARACTERIZED
PROTEIN

(Legionella
drancourtii) 		no annotation 4 ARG A 602
PHE A 599
THR A 562
LEU A 560
 None
 1.28A 2e1qD-4jvsA:
undetectable		 2e1qD-4jvsA:
12.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kp2 HOMOACONITASE LARGE
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		4 ARG A 249
THR A 251
LEU A   3
ALA A 223
 None
 1.43A 2e1qD-4kp2A:
undetectable		 2e1qD-4kp2A:
16.30
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.
4lyk CYCLIC DI-GMP
PHOSPHODIESTERASE
YAHA

(Escherichia
coli) 		PF00563
(EAL) 		4 ARG A 246
PHE A 249
LEU A 274
ALA A 276
 None
 1.32A 2e1qD-4lykA:
undetectable		 2e1qD-4lykA:
11.72
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.
4mll BETA-LACTAMASE OXA-1

(Escherichia
coli) 		PF00905
(Transpeptidase) 		4 PHE A  69
THR A 124
LEU A 129
ALA A 159
 None
 1.37A 2e1qD-4mllA:
undetectable		 2e1qD-4mllA:
11.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oue PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		4 ARG A 229
THR A 246
LEU A  30
ALA A 244
 None
 1.24A 2e1qD-4oueA:
undetectable		 2e1qD-4oueA:
16.94
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.
4p74 PHENYLALANINE--TRNA
LIGASE ALPHA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01409
(tRNA-synt_2d) 		4 ARG C  36
PHE C 155
LEU C 160
ALA C 154
 None
 1.48A 2e1qD-4p74C:
undetectable		 2e1qD-4p74C:
13.55
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.
4utt PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Clostridium
perfringens) 		PF04131
(NanE) 		4 ARG A 215
THR A 185
LEU A 189
ALA A 205
 None
 1.42A 2e1qD-4uttA:
undetectable		 2e1qD-4uttA:
10.51
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.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		4 ARG A 261
PHE A 244
THR A 112
ALA A 221
 None
 1.08A 2e1qD-4wcjA:
undetectable		 2e1qD-4wcjA:
12.00
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.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		4 ARG A 224
THR A 254
LEU A 286
ALA A 274
 None
 1.39A 2e1qD-4wzhA:
undetectable		 2e1qD-4wzhA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xg0 UNCHARACTERIZED
PROTEIN

(Bordetella
bronchiseptica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 PHE A  23
THR A  19
LEU A 220
ALA A 222
 None
None
None
SO4  A 503 ( 3.7A)
 1.41A 2e1qD-4xg0A:
undetectable		 2e1qD-4xg0A:
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		4 ARG A  46
THR A  60
LEU A  32
ALA A  45
 None
 1.49A 2e1qD-4yaiA:
undetectable		 2e1qD-4yaiA:
12.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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) 		5 ARG A 880
PHE A 914
THR A1010
LEU A1014
ALA A1079
 URC  A3007 (-3.7A)
URC  A3007 ( 3.4A)
URC  A3007 (-3.5A)
None
URC  A3007 (-3.4A)
 0.21A 2e1qD-4yswA:
46.1		 2e1qD-4yswA:
90.28
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ARG A 693
THR A 613
LEU A 554
ALA A 689
 None
 1.34A 2e1qD-5cioA:
undetectable		 2e1qD-5cioA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ec0 ALP7A

(Bacillus
subtilis) 		no annotation 4 PHE A 151
THR A 127
LEU A 129
ALA A 148
 None
 1.03A 2e1qD-5ec0A:
undetectable		 2e1qD-5ec0A:
14.37
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.
5f9s SERINE--PYRUVATE
AMINOTRANSFERASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		4 ARG A 301
THR A 377
LEU A 307
ALA A 304
 None
 1.43A 2e1qD-5f9sA:
undetectable		 2e1qD-5f9sA:
15.67
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.
5gvx TREHALOSE-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF02358
(Trehalose_PPase) 		4 PHE A 145
THR A 307
LEU A 309
ALA A 337
 None
 1.43A 2e1qD-5gvxA:
undetectable		 2e1qD-5gvxA:
16.72
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.
5hb1 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF03177
(Nucleoporin_C) 		4 ARG A 642
THR A 730
LEU A 734
ALA A 726
 None
 1.48A 2e1qD-5hb1A:
undetectable		 2e1qD-5hb1A:
21.11
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.
5icq METHYLOCYSTIS PARVUS
OBBP MBNE

(Methylocystis
parvus) 		PF00496
(SBP_bac_5) 		4 PHE A 137
THR A 144
LEU A 131
ALA A 135
 None
 1.31A 2e1qD-5icqA:
undetectable		 2e1qD-5icqA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 PHE A1402
THR A1385
LEU A1105
ALA A 844
 None
 1.44A 2e1qD-5ip9A:
undetectable		 2e1qD-5ip9A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbp GLYCOSYL HYDROLASE,
FAMILY 38

(Enterococcus
faecalis) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 PHE A 123
THR A 133
LEU A 142
ALA A 145
 None
 1.42A 2e1qD-5kbpA:
1.1		 2e1qD-5kbpA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 4 ARG B 583
THR B 158
LEU B 156
ALA B 584
 None
 1.45A 2e1qD-5khnB:
1.9		 2e1qD-5khnB:
21.67
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 ARG A1640
PHE A1641
THR A1603
LEU A1712
 None
 1.07A 2e1qD-5m59A:
undetectable		 2e1qD-5m59A:
22.23
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.
5msc CARBOXYLIC ACID
REDUCTASE

(Nocardia
iowensis) 		PF00501
(AMP-binding) 		4 ARG A  64
PHE A  85
LEU A 328
ALA A 321
 None
 1.32A 2e1qD-5mscA:
undetectable		 2e1qD-5mscA:
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.
5n07 HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR NSRR

(Streptomyces
coelicolor) 		PF02082
(Rrf2) 		4 ARG A  73
THR A 128
LEU A 130
ALA A  18
 None
 1.03A 2e1qD-5n07A:
undetectable		 2e1qD-5n07A:
8.03
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.
5o04 NANOBODY (VHH)
NANO-26

(Vicugna pacos) 		PF07686
(V-set) 		4 ARG E  76
PHE E  29
THR E  23
LEU E   4
 None
 1.40A 2e1qD-5o04E:
undetectable		 2e1qD-5o04E:
6.76
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.
5o8f GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-3,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT
ALPHA-5,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-5

(Homo sapiens) 		no annotation 4 ARG A 129
THR A 131
LEU A  59
ALA A  45
 None
 1.46A 2e1qD-5o8fA:
undetectable		 2e1qD-5o8fA:
15.09
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.
5uja BOVINE MULTIDRUG
RESISTANCE PROTEIN 1
(MRP1),MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 PHE A1216
THR A1111
LEU A1108
ALA A1213
 None
 1.17A 2e1qD-5ujaA:
undetectable		 2e1qD-5ujaA:
20.97
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.
5uxv SENSORY TRANSDUCTION
REGULATORY PROTEIN

(Bartonella
quintana) 		no annotation 4 PHE A 256
THR A 234
LEU A 249
ALA A 253
 None
 1.14A 2e1qD-5uxvA:
undetectable		 2e1qD-5uxvA:
4.92
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.
5vn2 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		4 PHE A 120
THR A  70
LEU A  75
ALA A 123
 None
 1.31A 2e1qD-5vn2A:
undetectable		 2e1qD-5vn2A:
12.05
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 4 ARG A 534
THR A 766
LEU A 803
ALA A 530
 None
 1.44A 2e1qD-5wugA:
undetectable		 2e1qD-5wugA:
5.31
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 4 ARG A 232
PHE A 221
THR A 204
ALA A 206
 SO4  A 303 ( 2.9A)
None
SO4  A 302 (-3.2A)
SO4  A 303 (-3.4A)
 1.37A 2e1qD-5ysqA:
undetectable		 2e1qD-5ysqA:
4.58
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2

(Homo sapiens) 		no annotation 4 ARG A 129
THR A 131
LEU A  59
ALA A  45
 None
 1.42A 2e1qD-6d6uA:
2.4		 2e1qD-6d6uA:
5.28
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.
6dw1 -

(-) 		no annotation 4 ARG E 129
THR E 131
LEU E  59
ALA E  45
 None
 1.45A 2e1qD-6dw1E:
undetectable		 2e1qD-6dw1E:
undetectable