SIMILAR PATTERNS OF AMINO ACIDS FOR 4FGL_B_CLQB303

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.
1bwd PROTEIN
(INOSAMINE-PHOSPHATE
AMIDINOTRANSFERASE)

(Streptomyces
griseus) 		no annotation 5 GLN A 301
ILE A 270
GLY A 329
GLY A 328
TYR A 104
 None
 1.39A 4fglA-1bwdA:
undetectable
4fglB-1bwdA:
undetectable		 4fglA-1bwdA:
23.94
4fglB-1bwdA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 GLN A 153
ILE A 152
GLY A 185
MET A  68
GLU A 188
 None
 1.35A 4fglA-1e25A:
undetectable
4fglB-1e25A:
undetectable		 4fglA-1e25A:
21.67
4fglB-1e25A:
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.
1gcb GAL6 HG (EMTS)
DERIVATIVE

(Saccharomyces
cerevisiae) 		PF03051
(Peptidase_C1_2) 		5 HIS A 326
ILE A 360
TYR A 279
ASN A 301
GLU A 413
 None
 1.50A 4fglA-1gcbA:
undetectable
4fglB-1gcbA:
undetectable		 4fglA-1gcbA:
20.18
4fglB-1gcbA:
20.18
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.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLN A  83
ILE A 454
GLY A 461
GLY A 463
ASN A 468
 None
 1.47A 4fglA-1gz7A:
undetectable
4fglB-1gz7A:
undetectable		 4fglA-1gz7A:
18.84
4fglB-1gz7A:
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.
1q9j POLYKETIDE SYNTHASE
ASSOCIATED PROTEIN 5

(Mycobacterium
tuberculosis) 		PF00668
(Condensation)
PF16911
(PapA_C) 		5 HIS A 123
GLN A 100
GLY A  64
GLY A  63
GLU A  15
 None
 1.41A 4fglA-1q9jA:
undetectable
4fglB-1q9jA:
undetectable		 4fglA-1q9jA:
19.09
4fglB-1q9jA:
19.09
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 ILE A 466
GLY A  13
GLY A  12
TYR A 361
GLU A 444
 None
 1.30A 4fglA-1sqjA:
undetectable
4fglB-1sqjA:
undetectable		 4fglA-1sqjA:
15.20
4fglB-1sqjA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u0u DIHYDROPINOSYLVIN
SYNTHASE

(Pinus
sylvestris) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 PHE A 268
ILE A 257
PHE A 218
GLY A 309
GLY A 308
 None
 1.16A 4fglA-1u0uA:
undetectable
4fglB-1u0uA:
undetectable		 4fglA-1u0uA:
21.45
4fglB-1u0uA:
21.45
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.
1vkx PROTEIN (NF-KAPPA B
P50 SUBUNIT)

(Mus musculus) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 PHE B 645
ILE B 566
PHE B 582
GLY B 562
GLY B 563
 None
 1.36A 4fglA-1vkxB:
undetectable
4fglB-1vkxB:
undetectable		 4fglA-1vkxB:
23.44
4fglB-1vkxB:
23.44
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.
1z81 CYCLOPHILIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		5 PHE A  57
ILE A  47
PHE A  59
GLY A 106
GLY A 107
 None
 1.05A 4fglA-1z81A:
undetectable
4fglB-1z81A:
undetectable		 4fglA-1z81A:
20.49
4fglB-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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 HIS A 160
PHE A  97
GLY A 390
TYR A 394
GLU A 367
 CU  A1741 (-3.5A)
None
None
None
None
 1.33A 4fglA-2c11A:
undetectable
4fglB-2c11A:
undetectable		 4fglA-2c11A:
15.06
4fglB-2c11A:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 HIS A 237
PHE A 239
PHE A 248
GLY A  19
GLY A  18
 None
 1.44A 4fglA-2dwuA:
undetectable
4fglB-2dwuA:
undetectable		 4fglA-2dwuA:
23.44
4fglB-2dwuA:
23.44
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.
2gzm GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 HIS A 235
PHE A 237
PHE A 246
GLY A  16
GLY A  15
 None
 1.48A 4fglA-2gzmA:
2.3
4fglB-2gzmA:
undetectable		 4fglA-2gzmA:
23.69
4fglB-2gzmA:
23.69
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.
2ix8 ELONGATION FACTOR 3A

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran) 		5 HIS A1746
ILE A1893
GLY A1898
GLY A1899
ASN A1464
 None
 1.47A 4fglA-2ix8A:
undetectable
4fglB-2ix8A:
undetectable		 4fglA-2ix8A:
13.68
4fglB-2ix8A:
13.68
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.
2ohg GLUTAMATE RACEMASE

(Streptococcus
pyogenes) 		PF01177
(Asp_Glu_race) 		5 HIS A 234
PHE A 236
PHE A 245
GLY A  15
GLY A  14
 None
 1.37A 4fglA-2ohgA:
undetectable
4fglB-2ohgA:
undetectable		 4fglA-2ohgA:
21.07
4fglB-2ohgA:
21.07
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 PHE A  87
PHE A 257
GLY A  51
GLY A  52
TYR A  55
 None
None
None
None
13P  A1968 (-4.6A)
 1.33A 4fglA-2r4jA:
3.8
4fglB-2r4jA:
undetectable		 4fglA-2r4jA:
20.21
4fglB-2r4jA:
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 HIS A  98
ILE A  81
GLY A 165
GLY A 166
ASN A 170
 None
SRM  B 503 (-3.9A)
None
None
None
 1.26A 4fglA-2v4jA:
2.4
4fglB-2v4jA:
2.3		 4fglA-2v4jA:
19.05
4fglB-2v4jA:
19.05
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.
2vvt GLUTAMATE RACEMASE

(Enterococcus
faecalis) 		PF01177
(Asp_Glu_race) 		5 HIS A 236
PHE A 238
PHE A 247
GLY A  16
GLY A  15
 None
None
None
None
I24  A1269 ( 3.8A)
 1.35A 4fglA-2vvtA:
undetectable
4fglB-2vvtA:
undetectable		 4fglA-2vvtA:
20.45
4fglB-2vvtA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 HIS A  98
ILE A  81
GLY A 165
GLY A 166
ASN A 170
 None
SRM  B 503 ( 4.1A)
None
None
None
 1.26A 4fglA-2xsjA:
2.3
4fglB-2xsjA:
2.4		 4fglA-2xsjA:
18.95
4fglB-2xsjA:
18.95
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		5 ILE A 807
GLY A 765
GLY A 764
ASN A 753
GLU A 798
 None
MG  A1939 (-3.8A)
None
None
None
 1.41A 4fglA-2yhgA:
3.9
4fglB-2yhgA:
3.8		 4fglA-2yhgA:
19.85
4fglB-2yhgA:
19.85
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.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 HIS A 238
PHE A 404
GLY A 203
GLY A 204
GLU A 165
 None
 1.10A 4fglA-3cj1A:
undetectable
4fglB-3cj1A:
undetectable		 4fglA-3cj1A:
16.99
4fglB-3cj1A:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 HIS A 515
PHE A 476
ILE A 478
GLY A 556
GLY A 553
 None
552  A 901 (-3.5A)
None
None
None
 1.40A 4fglA-3dduA:
undetectable
4fglB-3dduA:
undetectable		 4fglA-3dduA:
15.77
4fglB-3dduA:
15.77
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.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 HIS A 515
GLN A 514
ILE A 542
GLY A 370
ASN A 411
 None
 1.44A 4fglA-3dlaA:
undetectable
4fglB-3dlaA:
undetectable		 4fglA-3dlaA:
16.01
4fglB-3dlaA:
16.01
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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		5 PHE A  90
ILE A  36
PHE A 121
GLY A 177
GLU A 182
 None
 1.37A 4fglA-3fnbA:
4.1
4fglB-3fnbA:
undetectable		 4fglA-3fnbA:
19.22
4fglB-3fnbA:
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.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 316
PHE A 290
GLY A 320
GLY A 321
TYR A 287
 None
None
GOL  A 373 ( 3.7A)
GOL  A 373 (-4.0A)
GOL  A 373 (-4.8A)
 1.27A 4fglA-3gb0A:
2.2
4fglB-3gb0A:
undetectable		 4fglA-3gb0A:
18.42
4fglB-3gb0A:
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.
3gt0 PYRROLINE-5-CARBOXYL
ATE REDUCTASE

(Bacillus cereus) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 ILE A 150
PHE A   7
GLY A  20
GLY A  19
TYR A  49
 None
 1.48A 4fglA-3gt0A:
undetectable
4fglB-3gt0A:
2.4		 4fglA-3gt0A:
19.92
4fglB-3gt0A:
19.92
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		5 PHE A 198
ILE A 235
GLY A 630
GLY A 629
TYR A 674
 None
 1.39A 4fglA-3i04A:
4.7
4fglB-3i04A:
3.6		 4fglA-3i04A:
15.01
4fglB-3i04A:
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.
3ist GLUTAMATE RACEMASE

(Listeria
monocytogenes) 		PF01177
(Asp_Glu_race) 		5 HIS A 233
PHE A 235
PHE A 244
GLY A  14
GLY A  13
 None
 1.30A 4fglA-3istA:
2.4
4fglB-3istA:
2.4		 4fglA-3istA:
24.22
4fglB-3istA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lot UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF05853
(BKACE) 		5 HIS A  18
PHE A 120
GLY A  88
GLY A  87
ASN A 114
 None
UNL  A 504 ( 4.8A)
UNL  A 504 ( 3.6A)
UNL  A 502 ( 3.2A)
UNL  A 502 ( 3.0A)
 1.40A 4fglA-3lotA:
undetectable
4fglB-3lotA:
undetectable		 4fglA-3lotA:
24.92
4fglB-3lotA:
24.92
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.
3m0o MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
B-0618) 		PF01266
(DAO) 		5 PHE A 325
ILE A 327
PHE A 342
GLY A 352
GLY A 354
 None
None
FAD  A 400 (-4.8A)
None
None
 1.21A 4fglA-3m0oA:
2.3
4fglB-3m0oA:
undetectable		 4fglA-3m0oA:
24.14
4fglB-3m0oA:
24.14
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.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF01077
(NIR_SIR) 		5 HIS A  98
ILE A  81
GLY A 165
GLY A 166
ASN A 170
 None
SRM  A 582 ( 4.3A)
None
None
None
 1.22A 4fglA-3or2A:
2.2
4fglB-3or2A:
2.1		 4fglA-3or2A:
21.58
4fglB-3or2A:
21.58
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.
3p8a UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF13468
(Glyoxalase_3) 		5 GLN A 186
PHE A 189
ILE A  45
PHE A 270
GLY A  42
 None
 1.32A 4fglA-3p8aA:
undetectable
4fglB-3p8aA:
undetectable		 4fglA-3p8aA:
19.60
4fglB-3p8aA:
19.60
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.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		5 PHE A 121
ILE A  59
PHE A 148
GLY A 243
GLY A 244
 None
 1.02A 4fglA-3r89A:
undetectable
4fglB-3r89A:
undetectable		 4fglA-3r89A:
24.03
4fglB-3r89A:
24.03
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		5 HIS X 205
ILE X 113
GLY X 122
GLY X 121
TYR X 248
 None
 0.91A 4fglA-3ss7X:
undetectable
4fglB-3ss7X:
undetectable		 4fglA-3ss7X:
20.78
4fglB-3ss7X:
20.78
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) 		6 GLY A 149
GLY A 150
MET A 154
TYR A 155
ASN A 161
GLU A 193
 FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 (-4.6A)
None
FAD  A 232 ( 3.1A)
 0.15A 4fglA-3te7A:
38.6
4fglB-3te7A:
39.3		 4fglA-3te7A:
98.28
4fglB-3te7A:
98.28
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 HIS A  72
GLN A 122
PHE A 126
ILE A 128
PHE A 178
 None
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
None
TE7  A   1 (-3.6A)
 0.21A 4fglA-3te7A:
38.6
4fglB-3te7A:
39.3		 4fglA-3te7A:
98.28
4fglB-3te7A:
98.28
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.
3u3x OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 HIS A  38
ILE A 203
PHE A 190
GLY A 197
GLY A 198
 None
 1.31A 4fglA-3u3xA:
3.4
4fglB-3u3xA:
4.4		 4fglA-3u3xA:
24.47
4fglB-3u3xA:
24.47
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.
3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF09071
(Alpha-amyl_C) 		5 HIS A 108
PHE A 144
GLY A 165
GLY A 166
TYR A  73
 None
 1.27A 4fglA-3vgfA:
undetectable
4fglB-3vgfA:
undetectable		 4fglA-3vgfA:
17.96
4fglB-3vgfA:
17.96
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 GLN A 142
PHE A 143
PHE A 226
GLY A 120
GLY A 123
 None
 1.42A 4fglA-3x43A:
undetectable
4fglB-3x43A:
undetectable		 4fglA-3x43A:
22.39
4fglB-3x43A:
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 GLN A 142
PHE A 143
PHE A 226
GLY A 124
GLY A 123
 None
 1.29A 4fglA-3x43A:
undetectable
4fglB-3x43A:
undetectable		 4fglA-3x43A:
22.39
4fglB-3x43A:
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.
4bwi PHYTOCHROME-LIKE
PROTEIN CPH2

(Synechocystis
sp.) 		PF00360
(PHY)
PF01590
(GAF) 		5 HIS A 130
PHE A  49
GLY A  89
MET A 148
GLU A  87
 CYC  A1422 (-3.5A)
None
GLU  A1427 (-3.2A)
None
None
 1.26A 4fglA-4bwiA:
undetectable
4fglB-4bwiA:
undetectable		 4fglA-4bwiA:
20.59
4fglB-4bwiA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4g METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 PHE A 149
ILE A 153
GLY A 223
GLY A 246
ASN A 409
 None
 1.46A 4fglA-4e4gA:
2.8
4fglB-4e4gA:
undetectable		 4fglA-4e4gA:
17.70
4fglB-4e4gA:
17.70
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.
4eg9 UNCHARACTERIZED
PROTEIN
SAOUHSC_02783

(Staphylococcus
aureus) 		PF04507
(DUF576) 		5 PHE A 156
ILE A 138
PHE A 158
GLY A 107
TYR A  97
 None
 1.33A 4fglA-4eg9A:
undetectable
4fglB-4eg9A:
undetectable		 4fglA-4eg9A:
20.75
4fglB-4eg9A:
20.75
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.
4j2u ENOYL-COA HYDRATASE

(Rhodobacter
sphaeroides) 		PF16113
(ECH_2) 		5 PHE A 179
ILE A 132
GLY A 113
GLY A 114
GLU A 136
 None
 1.48A 4fglA-4j2uA:
undetectable
4fglB-4j2uA:
undetectable		 4fglA-4j2uA:
19.46
4fglB-4j2uA:
19.46
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.
4lu0 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Pseudomonas
aeruginosa) 		PF00793
(DAHP_synth_1) 		5 PHE A  87
GLY A  30
GLY A  29
TYR A  58
GLU A 243
 None
 1.34A 4fglA-4lu0A:
undetectable
4fglB-4lu0A:
undetectable		 4fglA-4lu0A:
24.43
4fglB-4lu0A:
24.43
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.
4lu0 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Pseudomonas
aeruginosa) 		PF00793
(DAHP_synth_1) 		5 PHE A  87
ILE A  99
GLY A  30
GLY A  29
GLU A 243
 None
 1.20A 4fglA-4lu0A:
undetectable
4fglB-4lu0A:
undetectable		 4fglA-4lu0A:
24.43
4fglB-4lu0A:
24.43
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.
4n0l PREDICTED COMPONENT
OF A
THERMOPHILE-SPECIFIC
DNA REPAIR SYSTEM,
CONTAINS A RAMP
DOMAIN

(Methanopyrus
kandleri) 		PF03787
(RAMPs) 		5 PHE A 224
ILE A  14
GLY A 266
TYR A 265
ASN A  36
 None
 1.36A 4fglA-4n0lA:
undetectable
4fglB-4n0lA:
undetectable		 4fglA-4n0lA:
20.56
4fglB-4n0lA:
20.56
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.
4nso EFFECTOR PROTEIN

(Vibrio cholerae) 		no annotation 5 GLN A 914
ILE A 950
PHE A 925
GLY A 922
MET A 959
 None
 1.28A 4fglA-4nsoA:
undetectable
4fglB-4nsoA:
undetectable		 4fglA-4nsoA:
20.71
4fglB-4nsoA:
20.71
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.
4pdh TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 HIS A  49
GLN A  50
ILE A  42
GLY A  81
GLY A  80
 None
EAX  A 401 (-3.2A)
None
None
None
 1.44A 4fglA-4pdhA:
undetectable
4fglB-4pdhA:
undetectable		 4fglA-4pdhA:
21.75
4fglB-4pdhA:
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.
4qq2 C1Q-RELATED FACTOR

(Mus musculus) 		PF00386
(C1q) 		5 GLN A  86
ILE A  84
GLY A 116
GLY A 115
TYR A  22
 None
 1.26A 4fglA-4qq2A:
undetectable
4fglB-4qq2A:
undetectable		 4fglA-4qq2A:
21.05
4fglB-4qq2A:
21.05
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.
4qql COMPLEMENT C1Q-LIKE
PROTEIN 3

(Mus musculus) 		PF00386
(C1q) 		5 GLN A  86
ILE A  84
GLY A 116
GLY A 115
TYR A  22
 None
 1.33A 4fglA-4qqlA:
undetectable
4fglB-4qqlA:
undetectable		 4fglA-4qqlA:
20.35
4fglB-4qqlA:
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.
4rmm PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chromobacterium
violaceum) 		PF03061
(4HBT) 		5 HIS A  77
PHE A  44
ILE A 124
GLY A  68
GLY A  67
 None
 1.42A 4fglA-4rmmA:
undetectable
4fglB-4rmmA:
undetectable		 4fglA-4rmmA:
20.73
4fglB-4rmmA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 HIS A 499
ILE A 304
GLY A  65
GLY A  66
ASN A  48
 ZN  A 801 (-3.0A)
None
None
None
None
 1.33A 4fglA-4rvwA:
undetectable
4fglB-4rvwA:
undetectable		 4fglA-4rvwA:
14.40
4fglB-4rvwA:
14.40
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.
5d4w PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 GLN A 690
PHE A 661
ILE A 659
PHE A 705
GLY A 677
 None
 1.32A 4fglA-5d4wA:
undetectable
4fglB-5d4wA:
undetectable		 4fglA-5d4wA:
12.02
4fglB-5d4wA:
12.02
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.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1

(Rickettsia
prowazekii) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		5 HIS A 126
ILE A 123
GLY A  83
GLY A  84
GLU A  77
 None
None
None
None
SAM  A 601 (-3.6A)
 1.38A 4fglA-5dpdA:
undetectable
4fglB-5dpdA:
undetectable		 4fglA-5dpdA:
18.17
4fglB-5dpdA:
18.17
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.
5egn ESTERASE

(uncultured
bacterium) 		PF12697
(Abhydrolase_6) 		5 HIS A 168
PHE A 243
ILE A  34
GLY A  95
GLY A  91
 None
 1.21A 4fglA-5egnA:
3.7
4fglB-5egnA:
3.8		 4fglA-5egnA:
23.78
4fglB-5egnA:
23.78
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.
5gve DNA TOPOISOMERASE
3-BETA-1

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLN A 196
PHE A 200
ILE A 212
GLY A 541
ASN A 539
 None
 1.42A 4fglA-5gveA:
3.6
4fglB-5gveA:
3.5		 4fglA-5gveA:
18.06
4fglB-5gveA:
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.
5hws 2-DEHYDROPANTOATE
2-REDUCTASE

(Thermococcus
kodakarensis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 PHE A  15
ILE A  70
PHE A 160
GLY A 118
GLY A 117
 None
 1.35A 4fglA-5hwsA:
4.4
4fglB-5hwsA:
undetectable		 4fglA-5hwsA:
20.62
4fglB-5hwsA:
20.62
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.
5jzb 4,5:9,10-DISECO-3-HY
DROXY-5,9,17-TRIOXOA
NDROSTA-1(10),2-DIEN
E-4-OATE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 HIS A  43
GLN A  73
GLY A 140
GLY A 141
MET A 222
 None
None
6OT  A 301 (-3.1A)
None
None
 1.34A 4fglA-5jzbA:
2.3
4fglB-5jzbA:
2.1		 4fglA-5jzbA:
21.55
4fglB-5jzbA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1c WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		5 HIS B 374
PHE B 507
GLY B 463
GLY B 464
ASN B 504
 None
 1.45A 4fglA-5k1cB:
undetectable
4fglB-5k1cB:
undetectable		 4fglA-5k1cB:
17.96
4fglB-5k1cB:
17.96
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 PHE A 599
GLY A 204
GLY A 203
TYR A  52
ASN A 179
 None
 1.43A 4fglA-5k6oA:
3.0
4fglB-5k6oA:
3.1		 4fglA-5k6oA:
13.82
4fglB-5k6oA:
13.82
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.
5kyv LUCIFERIN
4-MONOOXYGENASE

(Photinus
pyralis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 HIS A 310
GLN A 283
ILE A 232
GLY A 259
TYR A  53
 None
 1.46A 4fglA-5kyvA:
4.3
4fglB-5kyvA:
3.6		 4fglA-5kyvA:
20.36
4fglB-5kyvA:
20.36
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.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 5 PHE A 670
ILE A 689
GLY A 602
GLY A 603
MET A 584
 None
 1.34A 4fglA-5n4cA:
2.3
4fglB-5n4cA:
2.2		 4fglA-5n4cA:
15.33
4fglB-5n4cA:
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.
5w21 FIBROBLAST GROWTH
FACTOR 23

(Homo sapiens) 		no annotation 5 HIS B  52
GLN B  67
PHE B 169
GLY B  38
GLY B  37
 None
 1.25A 4fglA-5w21B:
undetectable
4fglB-5w21B:
undetectable		 4fglA-5w21B:
undetectable
4fglB-5w21B:
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.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 5 GLN A 176
ILE A 204
PHE A 233
GLY A 200
GLY A 201
 None
 1.10A 4fglA-6evgA:
undetectable
4fglB-6evgA:
undetectable		 4fglA-6evgA:
undetectable
4fglB-6evgA:
undetectable