SIMILAR PATTERNS OF AMINO ACIDS FOR 4QOI_A_ML1A303

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.
1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)

(Clostridium
pasteurianum) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF12838
(Fer4_7)
PF13510
(Fer2_4) 		4 TYR A 552
PHE A 556
GLY A 329
ILE A 226
 None
 0.77A 4qoiA-1fehA:
0.4
4qoiB-1fehA:
0.4		 4qoiA-1fehA:
16.44
4qoiB-1fehA:
16.44
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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		4 TYR A 187
PHE A 471
PHE A 276
ILE A 166
 None
 1.00A 4qoiA-1gq2A:
3.5
4qoiB-1gq2A:
2.1		 4qoiA-1gq2A:
19.03
4qoiB-1gq2A:
19.03
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.
1gz4 NAD-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		4 TYR A 187
PHE A 471
PHE A 276
ILE A 166
 None
 0.95A 4qoiA-1gz4A:
3.6
4qoiB-1gz4A:
2.9		 4qoiA-1gz4A:
18.44
4qoiB-1gz4A:
18.44
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.
1ksi COPPER AMINE OXIDASE

(Pisum sativum) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 TYR A 446
PHE A 306
GLY A 385
ASN A 389
ILE A 410
 None
None
TPQ  A 387 ( 4.4A)
TPQ  A 387 ( 4.6A)
None
 1.37A 4qoiA-1ksiA:
undetectable
4qoiB-1ksiA:
undetectable		 4qoiA-1ksiA:
15.48
4qoiB-1ksiA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n7u ADSORPTION PROTEIN
P2

(Salmonella
virus PRD1) 		PF09214
(Prd1-P2) 		4 TYR A  89
PHE A 114
GLY A 224
ILE A 192
 None
 0.88A 4qoiA-1n7uA:
undetectable
4qoiB-1n7uA:
undetectable		 4qoiA-1n7uA:
17.58
4qoiB-1n7uA:
17.58
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.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 PHE A 282
PHE A 272
GLY A 299
ILE A 294
 ABL  A 901 (-4.1A)
None
None
None
 0.88A 4qoiA-1naaA:
3.3
4qoiB-1naaA:
3.3		 4qoiA-1naaA:
17.77
4qoiB-1naaA:
17.77
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.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 5 PHE A 524
PHE A 199
PHE A 478
GLY A 494
ILE A 123
 None
 1.32A 4qoiA-1qi9A:
0.0
4qoiB-1qi9A:
0.0		 4qoiA-1qi9A:
17.72
4qoiB-1qi9A:
17.72
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 PHE A 301
TYR A 753
GLY A 721
ILE A 770
 None
 1.01A 4qoiA-1rrhA:
undetectable
4qoiB-1rrhA:
undetectable		 4qoiA-1rrhA:
15.38
4qoiB-1rrhA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rxt GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 PHE A 351
TRP A 122
ASN A 169
ILE A 156
 None
 0.88A 4qoiA-1rxtA:
0.0
4qoiB-1rxtA:
0.0		 4qoiA-1rxtA:
18.35
4qoiB-1rxtA:
18.35
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.
1tkl COPROPORPHYRINOGEN
III OXIDASE

(Saccharomyces
cerevisiae) 		PF01218
(Coprogen_oxidas) 		4 PHE A 212
PHE A 197
GLY A 276
ASN A 270
 None
 0.89A 4qoiA-1tklA:
undetectable
4qoiB-1tklA:
undetectable		 4qoiA-1tklA:
19.64
4qoiB-1tklA:
19.64
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.
1uyv ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF01039
(Carboxyl_trans) 		4 PHE A1604
GLY A1736
ASN A1587
ILE A1754
 None
 0.94A 4qoiA-1uyvA:
2.7
4qoiB-1uyvA:
undetectable		 4qoiA-1uyvA:
14.98
4qoiB-1uyvA:
14.98
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.
1y96 GEM-ASSOCIATED
PROTEIN 6
GEM-ASSOCIATED
PROTEIN 7

(Homo sapiens) 		PF06372
(Gemin6)
PF11095
(Gemin7) 		4 PHE A  86
PHE B  92
GLY A  59
ILE A  44
 None
 0.87A 4qoiA-1y96A:
undetectable
4qoiB-1y96A:
undetectable		 4qoiA-1y96A:
15.02
4qoiB-1y96A:
15.02
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.
1z81 CYCLOPHILIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		4 PHE A  59
PHE A  73
GLY A 106
ILE A  94
 None
 0.96A 4qoiA-1z81A:
undetectable
4qoiB-1z81A:
undetectable		 4qoiA-1z81A:
20.49
4qoiB-1z81A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aw5 NADP-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		4 TYR A 177
PHE A 458
PHE A 266
ILE A 156
 None
 0.98A 4qoiA-2aw5A:
2.8
4qoiB-2aw5A:
2.8		 4qoiA-2aw5A:
17.27
4qoiB-2aw5A:
17.27
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 PHE A 154
TYR A 642
ASN A 707
ILE A 507
 None
None
None
SF4  A1000 ( 3.8A)
 0.81A 4qoiA-2b3xA:
undetectable
4qoiB-2b3xA:
undetectable		 4qoiA-2b3xA:
13.96
4qoiB-2b3xA:
13.96
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.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		4 TYR A 276
PHE A 316
PHE A  84
ILE A 177
 DSB  A1330 (-3.9A)
None
None
None
 0.96A 4qoiA-2c1hA:
undetectable
4qoiB-2c1hA:
undetectable		 4qoiA-2c1hA:
22.94
4qoiB-2c1hA:
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.
2cdp BETA-AGARASE 1

(Saccharophagus
degradans) 		PF03422
(CBM_6) 		4 TYR A  30
PHE A 100
GLY A  68
ASN A 130
 AAL  A1006 ( 4.8A)
None
None
AAL  A1006 (-3.4A)
 0.97A 4qoiA-2cdpA:
undetectable
4qoiB-2cdpA:
undetectable		 4qoiA-2cdpA:
20.87
4qoiB-2cdpA:
20.87
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.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 PHE X 168
GLY X 150
ASN X 135
ILE X  57
 None
None
STU  X 902 ( 4.9A)
None
 0.97A 4qoiA-2dq7X:
undetectable
4qoiB-2dq7X:
undetectable		 4qoiA-2dq7X:
23.26
4qoiB-2dq7X:
23.26
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		4 PHE A 124
PHE A 125
TRP A 131
ILE A 115
 DBO  A1001 (-4.2A)
None
None
None
 0.95A 4qoiA-2ewyA:
undetectable
4qoiB-2ewyA:
undetectable		 4qoiA-2ewyA:
22.28
4qoiB-2ewyA:
22.28
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.
2iaf HYPOTHETICAL PROTEIN
SDHL

(Legionella
pneumophila) 		PF03315
(SDH_beta) 		4 PHE A 100
PHE A 102
GLY A  49
ILE A  72
 None
 0.98A 4qoiA-2iafA:
undetectable
4qoiB-2iafA:
undetectable		 4qoiA-2iafA:
21.03
4qoiB-2iafA:
21.03
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 PHE A 307
TYR A 760
GLY A 728
ILE A 777
 None
 0.95A 4qoiA-2iukA:
undetectable
4qoiB-2iukA:
undetectable		 4qoiA-2iukA:
16.39
4qoiB-2iukA:
16.39
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		4 TYR A 136
PHE A  94
GLY A 205
ASN A 173
 None
 0.92A 4qoiA-2o7rA:
2.3
4qoiB-2o7rA:
2.4		 4qoiA-2o7rA:
20.35
4qoiB-2o7rA:
20.35
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 TYR A 226
PHE A 222
GLY A 146
ILE A 385
 None
 0.85A 4qoiA-2pwhA:
undetectable
4qoiB-2pwhA:
undetectable		 4qoiA-2pwhA:
18.26
4qoiB-2pwhA:
18.26
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.
2vyo POLYSACCHARIDE
DEACETYLASE
DOMAIN-CONTAINING
PROTEIN ECU11_0510

(Encephalitozoon
cuniculi) 		PF01522
(Polysacc_deac_1) 		4 PHE A  57
TYR A  73
PHE A  59
GLY A  39
 None
 0.98A 4qoiA-2vyoA:
undetectable
4qoiB-2vyoA:
undetectable		 4qoiA-2vyoA:
20.66
4qoiB-2vyoA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 PHE A 570
TYR A 394
GLY A 408
ILE A 529
 None
 0.95A 4qoiA-2xy9A:
undetectable
4qoiB-2xy9A:
undetectable		 4qoiA-2xy9A:
18.84
4qoiB-2xy9A:
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.
2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Plasmodium
vivax) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 PHE A 336
TRP A 114
ASN A 161
ILE A 148
 None
None
NHW  A1000 (-4.6A)
None
 0.85A 4qoiA-2yneA:
undetectable
4qoiB-2yneA:
undetectable		 4qoiA-2yneA:
20.41
4qoiB-2yneA:
20.41
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.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274) 		PF00067
(p450) 		4 PHE A 357
PHE A 403
GLY A 255
ILE A 161
 HEM  A 500 (-4.5A)
IMD  A 501 (-4.7A)
HEM  A 500 (-3.6A)
None
 0.89A 4qoiA-2z3tA:
undetectable
4qoiB-2z3tA:
undetectable		 4qoiA-2z3tA:
20.42
4qoiB-2z3tA:
20.42
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.
2zsi PROBABLE GIBBERELLIN
RECEPTOR GID1L1

(Arabidopsis
thaliana) 		PF07859
(Abhydrolase_3) 		4 TYR A 159
PHE A 117
GLY A 222
ASN A 195
 None
 0.91A 4qoiA-2zsiA:
3.0
4qoiB-2zsiA:
2.5		 4qoiA-2zsiA:
20.00
4qoiB-2zsiA:
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		4 PHE A  76
TYR A 171
PHE A 214
GLY A  95
 None
 0.99A 4qoiA-3ayfA:
undetectable
4qoiB-3ayfA:
undetectable		 4qoiA-3ayfA:
13.97
4qoiB-3ayfA:
13.97
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.
3c37 PEPTIDASE, M48
FAMILY

(Geobacter
sulfurreducens) 		PF01435
(Peptidase_M48) 		4 TYR A 157
PHE A 149
GLY A  81
ILE A  16
 None
 0.93A 4qoiA-3c37A:
undetectable
4qoiB-3c37A:
undetectable		 4qoiA-3c37A:
24.01
4qoiB-3c37A:
24.01
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.
3c7m THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA-LIKE

(Escherichia
coli) 		PF01323
(DSBA) 		4 TYR A 101
PHE A  98
GLY A  41
ILE A 182
 None
 0.95A 4qoiA-3c7mA:
undetectable
4qoiB-3c7mA:
undetectable		 4qoiA-3c7mA:
22.00
4qoiB-3c7mA:
22.00
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.
3dpr PROTEIN VP3
PROTEIN VP4

(Rhinovirus A) 		PF00073
(Rhv)
PF02226
(Pico_P1A) 		4 PHE C  19
TYR D  31
PHE D  27
ILE C   6
 None
 0.95A 4qoiA-3dprC:
undetectable
4qoiB-3dprC:
undetectable		 4qoiA-3dprC:
22.39
4qoiB-3dprC:
22.39
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.
3e4d ESTERASE D

(Agrobacterium
fabrum) 		PF00756
(Esterase) 		4 PHE A 260
TYR A 258
GLY A 150
ILE A 173
 None
 0.96A 4qoiA-3e4dA:
2.6
4qoiB-3e4dA:
undetectable		 4qoiA-3e4dA:
20.77
4qoiB-3e4dA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8j COPROPORPHYRINOGEN
III OXIDASE

(Leishmania
naiffi) 		PF01218
(Coprogen_oxidas) 		4 PHE A 187
PHE A 172
GLY A 251
ASN A 245
 None
None
None
ACT  A 302 (-3.1A)
 0.94A 4qoiA-3e8jA:
undetectable
4qoiB-3e8jA:
undetectable		 4qoiA-3e8jA:
22.33
4qoiB-3e8jA:
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.
3ebl GIBBERELLIN RECEPTOR
GID1

(Oryza sativa) 		PF07859
(Abhydrolase_3) 		4 TYR A 166
PHE A 124
GLY A 229
ASN A 202
 None
 0.87A 4qoiA-3eblA:
3.4
4qoiB-3eblA:
undetectable		 4qoiA-3eblA:
20.38
4qoiB-3eblA:
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 PHE A 240
TYR A 260
PHE A 247
PHE A 249
 None
 0.99A 4qoiA-3eshA:
undetectable
4qoiB-3eshA:
undetectable		 4qoiA-3eshA:
20.00
4qoiB-3eshA:
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.
3fcx S-FORMYLGLUTATHIONE
HYDROLASE

(Homo sapiens) 		PF00756
(Esterase) 		4 PHE A 264
TYR A 262
GLY A 152
ILE A 175
 None
 0.92A 4qoiA-3fcxA:
undetectable
4qoiB-3fcxA:
2.8		 4qoiA-3fcxA:
23.53
4qoiB-3fcxA:
23.53
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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 TYR A 240
PHE A 236
GLY A 160
ILE A 400
 None
EDO  A8004 (-4.8A)
EDO  A8004 (-3.7A)
None
 0.90A 4qoiA-3gbdA:
undetectable
4qoiB-3gbdA:
undetectable		 4qoiA-3gbdA:
16.08
4qoiB-3gbdA:
16.08
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.
3iu1 GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 PHE A 422
TRP A 199
ASN A 246
ILE A 233
 None
 0.82A 4qoiA-3iu1A:
undetectable
4qoiB-3iu1A:
undetectable		 4qoiA-3iu1A:
19.01
4qoiB-3iu1A:
19.01
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.
3l4e UNCHARACTERIZED
PEPTIDASE LMO0363

(Listeria
monocytogenes) 		PF03575
(Peptidase_S51) 		4 PHE A  31
PHE A  17
GLY A 117
ILE A 124
 None
 1.00A 4qoiA-3l4eA:
4.6
4qoiB-3l4eA:
4.7		 4qoiA-3l4eA:
24.49
4qoiB-3l4eA:
24.49
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.
3ls2 S-FORMYLGLUTATHIONE
HYDROLASE

(Pseudoalteromonas
haloplanktis) 		PF00756
(Esterase) 		4 PHE A 262
TYR A 260
GLY A 150
ILE A 173
 None
 0.98A 4qoiA-3ls2A:
undetectable
4qoiB-3ls2A:
2.2		 4qoiA-3ls2A:
20.34
4qoiB-3ls2A:
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		4 PHE A  61
PHE A 108
GLY A  17
ILE A 159
 None
 0.96A 4qoiA-3nixA:
undetectable
4qoiB-3nixA:
undetectable		 4qoiA-3nixA:
19.62
4qoiB-3nixA:
19.62
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.
3nyi FAT ACID-BINDING
PROTEIN

(Eubacterium
ventriosum) 		PF02645
(DegV) 		4 TYR A   2
PHE A 145
ASN A 115
ILE A 101
 None
 0.87A 4qoiA-3nyiA:
undetectable
4qoiB-3nyiA:
undetectable		 4qoiA-3nyiA:
21.40
4qoiB-3nyiA:
21.40
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.
3o7t CYCLOPHILIN A

(Moniliophthora
perniciosa) 		PF00160
(Pro_isomerase) 		4 PHE A  20
PHE A  34
GLY A  62
ILE A  50
 None
 0.87A 4qoiA-3o7tA:
undetectable
4qoiB-3o7tA:
undetectable		 4qoiA-3o7tA:
23.61
4qoiB-3o7tA:
23.61
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.
3pj0 LMO0305 PROTEIN

(Listeria
monocytogenes) 		PF01212
(Beta_elim_lyase) 		4 PHE A 205
TYR A 206
GLY A 177
ILE A 183
 None
LLP  A 207 ( 3.6A)
None
None
 0.93A 4qoiA-3pj0A:
undetectable
4qoiB-3pj0A:
undetectable		 4qoiA-3pj0A:
19.56
4qoiB-3pj0A:
19.56
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.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF04613
(LpxD) 		4 PHE A 287
TYR A 304
GLY A 265
ILE A 246
 None
 0.97A 4qoiA-3pmoA:
undetectable
4qoiB-3pmoA:
undetectable		 4qoiA-3pmoA:
18.02
4qoiB-3pmoA:
18.02
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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 4 TYR A 222
PHE A 517
GLY A 370
ILE A 367
 None
 0.89A 4qoiA-3q3hA:
5.5
4qoiB-3q3hA:
3.2		 4qoiA-3q3hA:
16.80
4qoiB-3q3hA:
16.80
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.
3qvn MANGANESE-CONTAINING
SUPEROXIDE DISMUTASE

(Candida
albicans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 PHE A  83
TRP A 134
ASN A  86
ILE A 119
 None
 0.94A 4qoiA-3qvnA:
undetectable
4qoiB-3qvnA:
undetectable		 4qoiA-3qvnA:
19.50
4qoiB-3qvnA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
PHE A 106
GLY A 149
ASN A 161
ILE A 194
 FAD  A 232 ( 4.3A)
FAD  A 232 ( 4.6A)
FAD  A 232 (-3.6A)
None
None
 0.20A 4qoiA-3te7A:
39.7
4qoiB-3te7A:
39.0		 4qoiA-3te7A:
100.00
4qoiB-3te7A:
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 TYR A 300
TRP A 306
GLY A 342
ILE A 344
 None
 1.00A 4qoiA-3zyxA:
undetectable
4qoiB-3zyxA:
undetectable		 4qoiA-3zyxA:
19.21
4qoiB-3zyxA:
19.21
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.
4ate BETA-PORPHYRANASE A

(Zobellia
galactanivorans) 		no annotation 4 TYR A 195
PHE A 119
GLY A 147
ILE A 246
 None
 0.90A 4qoiA-4ateA:
undetectable
4qoiB-4ateA:
undetectable		 4qoiA-4ateA:
21.91
4qoiB-4ateA:
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.
4c2x GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 2

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 PHE A 422
TRP A 199
ASN A 246
ILE A 233
 None
None
NHW  A1000 (-4.8A)
None
 0.85A 4qoiA-4c2xA:
undetectable
4qoiB-4c2xA:
undetectable		 4qoiA-4c2xA:
19.76
4qoiB-4c2xA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		4 TYR A 158
PHE A 137
GLY A 178
ILE A 207
 None
 0.94A 4qoiA-4ccdA:
undetectable
4qoiB-4ccdA:
undetectable		 4qoiA-4ccdA:
16.90
4qoiB-4ccdA:
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.
4e1o HISTIDINE
DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 PHE A 301
PHE A 299
PHE A 133
GLY A 128
 None
 1.01A 4qoiA-4e1oA:
undetectable
4qoiB-4e1oA:
undetectable		 4qoiA-4e1oA:
18.96
4qoiB-4e1oA:
18.96
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.
4e3e MAOC DOMAIN PROTEIN
DEHYDRATASE

(Chloroflexus
aurantiacus) 		PF01575
(MaoC_dehydratas) 		4 PHE A  74
PHE A  70
PHE A 343
GLY A  90
 None
 0.99A 4qoiA-4e3eA:
undetectable
4qoiB-4e3eA:
undetectable		 4qoiA-4e3eA:
19.83
4qoiB-4e3eA:
19.83
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		4 PHE A 362
TYR A  41
GLY A 308
ILE A 383
 None
 0.90A 4qoiA-4fgmA:
undetectable
4qoiB-4fgmA:
undetectable		 4qoiA-4fgmA:
17.42
4qoiB-4fgmA:
17.42
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.
4flm S-FORMYLGLUTATHIONE
HYDROLASE

(Saccharomyces
cerevisiae) 		PF00756
(Esterase) 		4 PHE A 280
TYR A 278
GLY A 164
ILE A 189
 None
None
SDP  A 161 ( 3.4A)
SDP  A 161 ( 4.7A)
 0.96A 4qoiA-4flmA:
undetectable
4qoiB-4flmA:
2.1		 4qoiA-4flmA:
21.68
4qoiB-4flmA:
21.68
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		4 PHE A 191
PHE A 192
TRP A 209
GLY A 146
 None
 0.86A 4qoiA-4gl3A:
undetectable
4qoiB-4gl3A:
undetectable		 4qoiA-4gl3A:
18.31
4qoiB-4gl3A:
18.31
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.
4i84 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		4 PHE A 178
TYR A  81
PHE A 180
ILE A 162
 None
 1.00A 4qoiA-4i84A:
undetectable
4qoiB-4i84A:
undetectable		 4qoiA-4i84A:
21.74
4qoiB-4i84A:
21.74
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		4 PHE A 231
GLY A  85
ASN A 204
ILE A  83
 None
LMS  A 401 ( 4.7A)
None
LMS  A 401 (-4.2A)
 0.86A 4qoiA-4injA:
4.5
4qoiB-4injA:
4.3		 4qoiA-4injA:
23.34
4qoiB-4injA:
23.34
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.
4n6d TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
salexigens) 		PF03480
(DctP) 		4 PHE A 102
TYR A 128
PHE A 136
GLY A  91
 None
 0.92A 4qoiA-4n6dA:
undetectable
4qoiB-4n6dA:
undetectable		 4qoiA-4n6dA:
20.39
4qoiB-4n6dA:
20.39
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.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 4 TRP E 307
PHE E  98
GLY E 275
ILE E 273
 None
PLP  E 501 (-4.7A)
None
None
 0.97A 4qoiA-4obuE:
undetectable
4qoiB-4obuE:
undetectable		 4qoiA-4obuE:
20.21
4qoiB-4obuE:
20.21
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.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		4 PHE A 309
TYR A 287
PHE A 273
GLY A 195
 None
None
None
SAM  A 401 (-3.0A)
 0.93A 4qoiA-4rfqA:
undetectable
4qoiB-4rfqA:
undetectable		 4qoiA-4rfqA:
20.57
4qoiB-4rfqA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rt6 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		4 PHE A 180
TYR A  83
PHE A 182
ILE A 164
 None
 0.99A 4qoiA-4rt6A:
undetectable
4qoiB-4rt6A:
undetectable		 4qoiA-4rt6A:
13.01
4qoiB-4rt6A:
13.01
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		4 TYR A 227
PHE A 264
GLY A 212
ILE A 174
 None
 0.87A 4qoiA-4uhiA:
undetectable
4qoiB-4uhiA:
undetectable		 4qoiA-4uhiA:
20.31
4qoiB-4uhiA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 TYR A 367
TRP A 444
GLY A 424
ILE A  59
 None
None
HCA  A1494 (-3.5A)
None
 0.90A 4qoiA-4wzbA:
undetectable
4qoiB-4wzbA:
undetectable		 4qoiA-4wzbA:
19.68
4qoiB-4wzbA:
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		5 PHE A 468
TYR A 123
PHE A 471
TRP A 130
GLY A 385
 None
 1.43A 4qoiA-4xnuA:
undetectable
4qoiB-4xnuA:
undetectable		 4qoiA-4xnuA:
18.75
4qoiB-4xnuA:
18.75
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.
4yhx RIBOSOMAL PROTEIN
3/HOMING
ENDONUCLEASE-LIKE
FUSION PROTEIN

(Grosmannia
penicillata) 		PF00961
(LAGLIDADG_1) 		5 PHE A  42
TYR A 104
PHE A  91
TRP A  61
GLY A  14
 None
 1.45A 4qoiA-4yhxA:
undetectable
4qoiB-4yhxA:
undetectable		 4qoiA-4yhxA:
21.02
4qoiB-4yhxA:
21.02
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.
5azb PROLIPOPROTEIN
DIACYLGLYCERYL
TRANSFERASE

(Escherichia
coli) 		PF01790
(LGT) 		4 PHE A 244
TYR A 201
PHE A 245
PHE A 160
 None
 0.73A 4qoiA-5azbA:
undetectable
4qoiB-5azbA:
undetectable		 4qoiA-5azbA:
22.78
4qoiB-5azbA:
22.78
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.
5dgt BENZOYLFORMATE
DECARBOXYLASE

(Pseudomonas
putida) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 PHE A  35
PHE A  31
GLY A  22
ILE A  53
 None
 0.95A 4qoiA-5dgtA:
undetectable
4qoiB-5dgtA:
4.0		 4qoiA-5dgtA:
18.09
4qoiB-5dgtA:
18.09
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.
5eik UNCHARACTERIZED
PROTEIN Y57A10A.28

(Caenorhabditis
elegans) 		PF05197
(TRIC) 		4 PHE A 229
TYR A 222
GLY A 160
ILE A 157
 None
None
None
DMU  A 312 ( 4.7A)
 0.96A 4qoiA-5eikA:
undetectable
4qoiB-5eikA:
undetectable		 4qoiA-5eikA:
23.55
4qoiB-5eikA:
23.55
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.
5eo6 COPROPORPHYRINOGEN
OXIDASE

(Acinetobacter
baumannii) 		PF01218
(Coprogen_oxidas) 		4 PHE A 195
PHE A 180
GLY A 259
ASN A 253
 None
None
None
ACT  A 400 (-3.1A)
 0.88A 4qoiA-5eo6A:
undetectable
4qoiB-5eo6A:
undetectable		 4qoiA-5eo6A:
20.37
4qoiB-5eo6A:
20.37
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.
5fly FERRICHROME-BINDING
PERIPLASMIC PROTEIN

(Staphylococcus
pseudintermedius) 		PF01497
(Peripla_BP_2) 		4 PHE A 106
TYR A 108
GLY A  38
ASN A 260
 None
7PG  A1295 ( 3.3A)
None
7PG  A1295 ( 3.2A)
 0.89A 4qoiA-5flyA:
undetectable
4qoiB-5flyA:
undetectable		 4qoiA-5flyA:
22.79
4qoiB-5flyA:
22.79
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 PHE A 409
TYR A 456
PHE A 447
GLY A 493
 None
 0.99A 4qoiA-5fp1A:
undetectable
4qoiB-5fp1A:
undetectable		 4qoiA-5fp1A:
15.16
4qoiB-5fp1A:
15.16
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.
5g5t ARGONAUTE

(Methanocaldococcus
jannaschii) 		PF02171
(Piwi) 		4 TYR A 677
PHE A 489
GLY A 526
ILE A 500
 None
 0.94A 4qoiA-5g5tA:
2.7
4qoiB-5g5tA:
undetectable		 4qoiA-5g5tA:
15.33
4qoiB-5g5tA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		4 TYR A 400
PHE A  35
GLY A 388
ILE A 434
 None
 1.00A 4qoiA-5hdmA:
undetectable
4qoiB-5hdmA:
undetectable		 4qoiA-5hdmA:
22.04
4qoiB-5hdmA:
22.04
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 PHE A1649
GLY A1776
ASN A1632
ILE A1794
 None
 0.97A 4qoiA-5i6gA:
undetectable
4qoiB-5i6gA:
undetectable		 4qoiA-5i6gA:
12.95
4qoiB-5i6gA:
12.95
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 PHE A1649
GLY A1776
ASN A1632
ILE A1794
 None
 1.00A 4qoiA-5i6hA:
2.9
4qoiB-5i6hA:
undetectable		 4qoiA-5i6hA:
10.87
4qoiB-5i6hA:
10.87
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.
5i7y BROMODOMAIN-CONTAINI
NG PROTEIN 9

(Homo sapiens) 		PF00439
(Bromodomain) 		4 PHE A  45
PHE A  67
PHE A  85
GLY A 117
 69G  A 201 (-3.9A)
None
None
None
 0.83A 4qoiA-5i7yA:
undetectable
4qoiB-5i7yA:
undetectable		 4qoiA-5i7yA:
17.06
4qoiB-5i7yA:
17.06
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.
5ie2 OXALATE--COA LIGASE

(Arabidopsis
thaliana) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A  73
PHE A  69
GLY A 217
ASN A  65
 None
 0.99A 4qoiA-5ie2A:
undetectable
4qoiB-5ie2A:
3.8		 4qoiA-5ie2A:
17.57
4qoiB-5ie2A:
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.
5ip9 DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC3

(Saccharomyces
cerevisiae) 		PF03870
(RNA_pol_Rpb8) 		4 TYR H 116
PHE H 104
GLY H 127
ASN H 134
 None
 0.95A 4qoiA-5ip9H:
undetectable
4qoiB-5ip9H:
undetectable		 4qoiA-5ip9H:
19.31
4qoiB-5ip9H:
19.31
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.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 TYR A 548
PHE A 546
PHE A 654
GLY A  40
 None
 0.98A 4qoiA-5jpnA:
undetectable
4qoiB-5jpnA:
undetectable		 4qoiA-5jpnA:
17.25
4qoiB-5jpnA:
17.25
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.
5koj NITROGENASE PROTEIN
ALPHA CHAIN

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro) 		4 TYR A 383
TRP A 460
GLY A 440
ILE A  75
 None
None
HCA  A 501 (-3.3A)
None
 0.85A 4qoiA-5kojA:
undetectable
4qoiB-5kojA:
undetectable		 4qoiA-5kojA:
16.73
4qoiB-5kojA:
16.73
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		4 TYR A 118
PHE A 163
GLY A 543
ILE A 607
 None
 1.00A 4qoiA-5m60A:
undetectable
4qoiB-5m60A:
undetectable		 4qoiA-5m60A:
15.36
4qoiB-5m60A:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		4 PHE A 494
GLY A 144
ASN A  70
ILE A 173
 None
 0.92A 4qoiA-5mrwA:
undetectable
4qoiB-5mrwA:
undetectable		 4qoiA-5mrwA:
17.45
4qoiB-5mrwA:
17.45
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.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 PHE A 235
PHE A 320
PHE A  56
GLY A  59
 None
NH3  A 506 ( 4.9A)
None
None
 1.00A 4qoiA-5msyA:
undetectable
4qoiB-5msyA:
undetectable		 4qoiA-5msyA:
19.31
4qoiB-5msyA:
19.31
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 PHE A1248
TYR A 693
GLY A1232
ILE A1265
 None
 1.00A 4qoiA-5ngyA:
undetectable
4qoiB-5ngyA:
1.9		 4qoiA-5ngyA:
10.00
4qoiB-5ngyA:
10.00
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.
5nkn NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		no annotation 4 TYR A  56
PHE A 123
GLY A  95
ILE A  97
 None
 0.74A 4qoiA-5nknA:
undetectable
4qoiB-5nknA:
undetectable		 4qoiA-5nknA:
16.67
4qoiB-5nknA:
16.67
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.
5t2n I-ONUI_E-AG007820

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		5 PHE A  45
TYR A 107
PHE A  94
TRP A  64
GLY A  17
 None
 1.48A 4qoiA-5t2nA:
undetectable
4qoiB-5t2nA:
undetectable		 4qoiA-5t2nA:
23.05
4qoiB-5t2nA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tj2 SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,GASDERMIN-B
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF04598
(Gasdermin)
PF13416
(SBP_bac_8) 		4 PHE A 169
PHE A1345
GLY A1223
ILE A1226
 None
 0.97A 4qoiA-5tj2A:
undetectable
4qoiB-5tj2A:
undetectable		 4qoiA-5tj2A:
17.94
4qoiB-5tj2A:
17.94
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 PHE A 283
TYR A 734
GLY A 702
ILE A 751
 None
 0.97A 4qoiA-5tr0A:
undetectable
4qoiB-5tr0A:
undetectable		 4qoiA-5tr0A:
16.52
4qoiB-5tr0A:
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.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		4 PHE A  37
PHE A 132
GLY A  61
ILE A 206
 None
 0.87A 4qoiA-5u2nA:
undetectable
4qoiB-5u2nA:
undetectable		 4qoiA-5u2nA:
19.21
4qoiB-5u2nA:
19.21
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.
5xhq APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00795
(CN_hydrolase) 		4 PHE A 151
TRP A  63
GLY A  71
ILE A 420
 None
 0.92A 4qoiA-5xhqA:
undetectable
4qoiB-5xhqA:
undetectable		 4qoiA-5xhqA:
17.64
4qoiB-5xhqA:
17.64
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.
5xvn CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Enterococcus
faecalis) 		PF01867
(Cas_Cas1) 		4 PHE A 156
PHE A 164
GLY A 175
ASN A 170
 None
 0.91A 4qoiA-5xvnA:
undetectable
4qoiB-5xvnA:
undetectable		 4qoiA-5xvnA:
22.37
4qoiB-5xvnA:
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 PHE A 357
PHE A 282
GLY A  77
ILE A  71
 None
 0.95A 4qoiA-5xxoA:
5.6
4qoiB-5xxoA:
5.7		 4qoiA-5xxoA:
15.64
4qoiB-5xxoA:
15.64
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.
5z03 MUREIN TETRAPEPTIDE
CARBOXYPEPTIDASE

(Escherichia
coli) 		no annotation 4 PHE A 141
GLY A 269
ASN A 132
ILE A 202
 None
 0.85A 4qoiA-5z03A:
undetectable
4qoiB-5z03A:
undetectable		 4qoiA-5z03A:
15.56
4qoiB-5z03A:
15.56
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.
6ep3 -

(-) 		no annotation 4 PHE A 206
TYR A  80
PHE A 130
ILE A 152
 None
None
EDO  A 301 (-4.2A)
None
 0.95A 4qoiA-6ep3A:
undetectable
4qoiB-6ep3A:
undetectable		 4qoiA-6ep3A:
undetectable
4qoiB-6ep3A:
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 PHE A2532
PHE A2453
TRP A2465
GLY A2423
 None
 0.74A 4qoiA-6fb3A:
undetectable
4qoiB-6fb3A:
undetectable		 4qoiA-6fb3A:
19.47
4qoiB-6fb3A:
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.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 4 TYR A 312
PHE A 311
GLY A 299
ILE A 732
 None
None
HEM  A1002 (-3.6A)
HEM  A1002 (-4.5A)
 0.87A 4qoiA-6fwfA:
undetectable
4qoiB-6fwfA:
undetectable		 4qoiA-6fwfA:
23.96
4qoiB-6fwfA:
23.96
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 4 PHE A 724
GLY A 729
ASN A 710
ILE A 705
 None
 1.00A 4qoiA-6gh2A:
undetectable
4qoiB-6gh2A:
undetectable		 4qoiA-6gh2A:
16.23
4qoiB-6gh2A:
16.23