SIMILAR PATTERNS OF AMINO ACIDS FOR 4LB0_A_ACTA401

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.
1kho ALPHA-TOXIN

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		5 SER A 303
GLY A 302
TYR A 338
GLY A 265
THR A 264
 None
 1.42A 4lb0A-1khoA:
0.0		 4lb0A-1khoA:
19.90
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.
1mn6 POLYKETIDE SYNTHASE
IV

(Streptomyces
venezuelae) 		PF00975
(Thioesterase) 		5 GLY A 149
SER A 148
TYR A 107
GLY A  76
THR A  77
 None
 1.44A 4lb0A-1mn6A:
0.0		 4lb0A-1mn6A:
24.16
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.
1suu DNA GYRASE SUBUNIT A

(Borreliella
burgdorferi) 		PF03989
(DNA_gyraseA_C) 		5 GLY A 739
SER A 671
ASP A 699
SER A 667
THR A 738
 None
 1.13A 4lb0A-1suuA:
0.0		 4lb0A-1suuA:
25.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		6 GLY A 131
ASP A 296
SER A 298
CYH A 300
GLY A 301
THR A 302
 PYC  A 700 (-3.7A)
PYC  A 700 (-3.3A)
PYC  A 700 ( 4.3A)
PYC  A 700 (-3.4A)
PYC  A 700 (-3.7A)
PYC  A 700 (-2.6A)
 0.27A 4lb0A-1w61A:
46.7		 4lb0A-1w61A:
30.77
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.
2aj4 GALACTOKINASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 SER A 523
GLY A 522
SER A 221
CYH A 223
GLY A 224
 None
 1.30A 4lb0A-2aj4A:
0.0		 4lb0A-2aj4A:
21.14
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.
2ako GLUTAMATE 5-KINASE

(Campylobacter
jejuni) 		PF00696
(AA_kinase) 		6 SER A  45
GLY A   9
SER A  10
TYR A  80
SER A  14
THR A  44
 None
 1.48A 4lb0A-2akoA:
0.0		 4lb0A-2akoA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2azp HYPOTHETICAL PROTEIN
PA1268

(Pseudomonas
aeruginosa) 		PF05544
(Pro_racemase) 		6 GLY A  89
ASP A 232
SER A 234
CYH A 236
GLY A 237
THR A 238
 None
 0.34A 4lb0A-2azpA:
41.2		 4lb0A-2azpA:
29.33
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.
2bkg SYNTHETIC CONSTRUCT
ANKYRIN REPEAT
PROTEIN E3_19

(synthetic
construct) 		PF12796
(Ank_2) 		5 SER A  81
GLY A  80
SER A  79
ASP A  48
THR A  82
 None
 1.25A 4lb0A-2bkgA:
0.0		 4lb0A-2bkgA:
18.47
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.
2ddu REELIN

(Mus musculus) 		no annotation 5 GLY A1519
SER A1518
TYR A1485
SER A1515
THR A1521
 None
 1.32A 4lb0A-2dduA:
0.0		 4lb0A-2dduA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fyw CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF01784
(NIF3) 		6 SER A 184
GLY A 183
TYR A 200
CYH A 181
GLY A 182
THR A 202
 None
 1.38A 4lb0A-2fywA:
undetectable		 4lb0A-2fywA:
21.49
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.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		5 SER A 252
GLY A 251
ASP A 270
GLY A 250
THR A 253
 None
 1.46A 4lb0A-2q09A:
undetectable		 4lb0A-2q09A:
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.
2q1z ANTI-SIGMA FACTOR
CHRR,
TRANSCRIPTIONAL
ACTIVATOR CHRR

(Rhodobacter
sphaeroides) 		PF12973
(Cupin_7)
PF13490
(zf-HC2) 		5 GLY B 123
SER B  21
TYR B  97
GLY B 122
THR B 121
 None
 1.48A 4lb0A-2q1zB:
undetectable		 4lb0A-2q1zB:
22.41
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.
2vd5 DMPK PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		5 SER A 379
GLY A 380
TYR A 143
ASP A 387
GLY A 381
 None
 1.34A 4lb0A-2vd5A:
undetectable		 4lb0A-2vd5A:
24.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vvr RIBOSE-5-PHOSPHATE
ISOMERASE B

(Escherichia
coli) 		PF02502
(LacAB_rpiB) 		5 GLY A 108
SER A 109
ASP A   9
CYH A  66
GLY A  69
 None
 1.28A 4lb0A-2vvrA:
undetectable		 4lb0A-2vvrA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 GLY A  81
SER A 100
TYR A  30
ASP A 139
THR A  82
 None
 1.43A 4lb0A-2yfnA:
undetectable		 4lb0A-2yfnA:
19.74
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 GLY A 355
SER A 358
SER A 352
GLY A 354
THR A 589
 None
 1.42A 4lb0A-3abzA:
undetectable		 4lb0A-3abzA:
18.25
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.
3g0o 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 SER A 105
GLY A 172
SER A 168
GLY A 174
THR A 176
 None
 1.36A 4lb0A-3g0oA:
undetectable		 4lb0A-3g0oA:
22.91
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.
3gfv UNCHARACTERIZED ABC
TRANSPORTER
SOLUTE-BINDING
PROTEIN YCLQ

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		5 GLY A  43
SER A  44
TYR A 128
ASP A 135
GLY A 280
 None
 1.15A 4lb0A-3gfvA:
undetectable		 4lb0A-3gfvA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hbc CHOLOYLGLYCINE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF02275
(CBAH) 		5 SER A 285
SER A 283
ASP A  92
GLY A  41
THR A  40
 None
 1.29A 4lb0A-3hbcA:
undetectable		 4lb0A-3hbcA:
20.90
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.
3i5t AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00202
(Aminotran_3) 		5 SER A 121
GLY A 120
TYR A 324
GLY A 119
THR A 122
 PLP  A 474 (-2.5A)
PLP  A 474 (-3.2A)
None
PLP  A 474 ( 4.1A)
None
 1.45A 4lb0A-3i5tA:
undetectable		 4lb0A-3i5tA:
23.27
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.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLY A 265
SER A 266
TYR A 192
ASP A 136
GLY A 180
 None
 1.21A 4lb0A-3k30A:
undetectable		 4lb0A-3k30A:
19.97
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.
3k7y ASPARTATE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00155
(Aminotran_1_2) 		5 GLY A 106
SER A 246
SER A 248
GLY A 105
THR A 107
 PLP  A 406 (-3.4A)
PLP  A 406 (-2.8A)
PLP  A 406 (-2.6A)
PLP  A 406 (-3.6A)
PLP  A 406 (-3.8A)
 1.48A 4lb0A-3k7yA:
undetectable		 4lb0A-3k7yA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o12 UNCHARACTERIZED
PROTEIN YJL217W

(Saccharomyces
cerevisiae) 		PF07081
(DUF1349) 		5 GLY A 176
ASP A  77
SER A  74
GLY A 175
THR A  32
 None
 1.40A 4lb0A-3o12A:
undetectable		 4lb0A-3o12A:
23.10
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.
3rst SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		5 SER A 111
GLY A 113
SER A 119
GLY A 114
THR A  68
 None
 1.39A 4lb0A-3rstA:
undetectable		 4lb0A-3rstA:
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.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 GLY A 391
SER A 392
SER A 448
GLY A 620
THR A 635
 None
 1.49A 4lb0A-3vskA:
undetectable		 4lb0A-3vskA:
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.
3wzf ASPARTATE
AMINOTRANSFERASE,
CYTOPLASMIC

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 GLY A 108
SER A 255
SER A 257
GLY A 107
THR A 109
 None
 1.47A 4lb0A-3wzfA:
undetectable		 4lb0A-3wzfA:
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.
4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 SER A 247
GLY A 249
SER A 250
TYR A  42
ASP A 230
 G3P  A1415 (-2.5A)
None
None
GOL  A1416 ( 3.7A)
GOL  A1416 (-2.6A)
 1.47A 4lb0A-4aq4A:
undetectable		 4lb0A-4aq4A:
19.58
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.
4em8 RIBOSE 5-PHOSPHATE
ISOMERASE B

(Anaplasma
phagocytophilum) 		PF02502
(LacAB_rpiB) 		5 GLY A 108
SER A 109
ASP A  10
CYH A  66
GLY A  69
 None
 1.21A 4lb0A-4em8A:
undetectable		 4lb0A-4em8A:
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.
4eyz CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES

(Ruminococcus
flavefaciens) 		no annotation 5 SER A 158
GLY A 157
TYR A 167
GLY A 156
THR A 154
 None
 1.35A 4lb0A-4eyzA:
undetectable		 4lb0A-4eyzA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A 381
GLY A 383
SER A 386
ASP A 115
SER A 112
 None
 1.38A 4lb0A-4h7uA:
undetectable		 4lb0A-4h7uA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hqn SPOROZOITE SURFACE
PROTEIN 2

(Plasmodium
vivax) 		PF00090
(TSP_1)
PF00092
(VWA) 		5 GLY A  53
SER A  54
TYR A 121
ASP A  50
GLY A 125
 None
MN  A 301 (-2.1A)
None
MN  A 301 ( 4.1A)
None
 1.44A 4lb0A-4hqnA:
undetectable		 4lb0A-4hqnA:
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.
4ix3 MSSTT7D PROTEIN

(Micromonas
commoda) 		PF00069
(Pkinase) 		5 SER A 180
GLY A 181
ASP A 205
GLY A 184
THR A 185
 None
 1.11A 4lb0A-4ix3A:
undetectable		 4lb0A-4ix3A:
26.65
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.
4j9w PROLINE RACEMASE
FAMILY PROTEIN

(Pseudomonas
protegens) 		PF05544
(Pro_racemase) 		6 GLY A  89
ASP A 232
SER A 234
CYH A 236
GLY A 237
THR A 238
 PYC  A 402 (-3.6A)
PYC  A 402 (-3.6A)
PYC  A 402 ( 4.4A)
PYC  A 402 (-3.6A)
PYC  A 402 (-3.6A)
PYC  A 402 (-2.7A)
 0.25A 4lb0A-4j9wA:
41.0		 4lb0A-4j9wA:
28.65
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.
4jbd PROLINE RACEMASE

(Pseudomonas
putida) 		PF05544
(Pro_racemase) 		5 ASP A 232
SER A 234
CYH A 236
GLY A 237
THR A 238
 None
None
CIT  A 401 ( 3.9A)
CIT  A 401 (-3.7A)
CIT  A 401 (-2.9A)
 0.40A 4lb0A-4jbdA:
23.4		 4lb0A-4jbdA:
29.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jci PROLINE RACEMASE

(Chromohalobacter
salexigens) 		PF05544
(Pro_racemase) 		6 GLY A  89
ASP A 232
SER A 234
CYH A 236
GLY A 237
THR A 238
 None
 0.77A 4lb0A-4jciA:
36.8		 4lb0A-4jciA:
29.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4juu EPIMERASE

(Xanthomonas
campestris) 		PF05544
(Pro_racemase) 		6 GLY A  89
ASP A 234
SER A 236
CYH A 238
GLY A 239
THR A 240
 PO4  A 404 ( 4.1A)
PO4  A 404 (-2.7A)
PO4  A 404 (-3.1A)
PO4  A 404 (-3.5A)
PO4  A 404 (-3.6A)
PO4  A 404 ( 4.6A)
 0.77A 4lb0A-4juuA:
35.7		 4lb0A-4juuA:
30.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		7 SER B  90
GLY B  91
SER B  92
ASP B 252
SER B 254
GLY B 257
THR B 258
 PYC  B 904 (-3.1A)
PYC  B 904 (-3.5A)
PYC  B 904 (-3.0A)
PYC  B 904 (-3.2A)
PYC  B 904 ( 3.9A)
PYC  B 904 (-3.7A)
PYC  B 904 (-2.8A)
 0.15A 4lb0A-4k7gB:
50.0		 4lb0A-4k7gB:
40.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k8l PROLINE RACEMASE

(Ochrobactrum
anthropi) 		PF05544
(Pro_racemase) 		5 SER A  90
GLY A  91
SER A  92
GLY A 256
THR A 257
 None
 0.24A 4lb0A-4k8lA:
38.7		 4lb0A-4k8lA:
40.52
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.
4kwb SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		5 SER A 111
GLY A 113
SER A 119
GLY A 114
THR A  68
 None
 1.44A 4lb0A-4kwbA:
undetectable		 4lb0A-4kwbA:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lb0 UNCHARACTERIZED
PROTEIN

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		9 SER A  93
GLY A  94
SER A  95
TYR A 177
ASP A 251
SER A 253
CYH A 255
GLY A 256
THR A 257
 ACT  A 401 (-2.7A)
ACT  A 401 (-3.6A)
ACT  A 401 (-3.3A)
None
ACT  A 401 (-3.2A)
ACT  A 401 ( 3.8A)
ACT  A 401 (-3.1A)
ACT  A 401 (-3.6A)
ACT  A 401 (-2.8A)
 0.05A 4lb0A-4lb0A:
65.1		 4lb0A-4lb0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lb0 UNCHARACTERIZED
PROTEIN

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		5 SER A  93
GLY A  94
SER A  95
TYR A 227
SER A 253
 ACT  A 401 (-2.7A)
ACT  A 401 (-3.6A)
ACT  A 401 (-3.3A)
None
ACT  A 401 ( 3.8A)
 0.98A 4lb0A-4lb0A:
65.1		 4lb0A-4lb0A:
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.
4lfn GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
B

(Lactobacillus
rhamnosus) 		PF02502
(LacAB_rpiB) 		5 GLY B 107
ASP B   8
CYH B  65
GLY B  68
THR B  67
 None
RBL  B 201 (-3.0A)
RBL  B 201 (-3.4A)
None
RBL  B 201 (-3.4A)
 1.38A 4lb0A-4lfnB:
undetectable		 4lb0A-4lfnB:
19.34
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.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 SER A 336
GLY A 305
SER A 282
SER A 293
GLY A 332
 None
 1.49A 4lb0A-4m1zA:
undetectable		 4lb0A-4m1zA:
24.88
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		5 SER A 154
GLY A 153
TYR A 182
GLY A 152
THR A 151
 GLN  A 501 (-1.2A)
GLN  A 501 (-4.1A)
GLN  A 501 (-4.5A)
GLN  A 501 (-3.6A)
GLN  A 501 (-4.4A)
 1.47A 4lb0A-4n0iA:
undetectable		 4lb0A-4n0iA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q2h PROLINE RACEMASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF05544
(Pro_racemase) 		8 SER A  93
GLY A  94
SER A  95
TYR A 177
ASP A 251
SER A 253
GLY A 256
THR A 257
 BCT  A 401 (-3.5A)
BCT  A 401 (-3.6A)
BCT  A 401 (-3.4A)
CSO  A 255 ( 4.8A)
CSO  A 255 (-3.5A)
CSO  A 255 ( 3.0A)
CSO  A 255 (-2.4A)
BCT  A 401 (-2.8A)
 0.11A 4lb0A-4q2hA:
59.7		 4lb0A-4q2hA:
77.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q2h PROLINE RACEMASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF05544
(Pro_racemase) 		5 SER A  93
GLY A  94
SER A  95
TYR A 227
SER A 253
 BCT  A 401 (-3.5A)
BCT  A 401 (-3.6A)
BCT  A 401 (-3.4A)
None
CSO  A 255 ( 3.0A)
 0.97A 4lb0A-4q2hA:
59.7		 4lb0A-4q2hA:
77.46
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 GLY A 140
SER A 139
SER A 132
GLY A 137
THR A 295
 None
 1.42A 4lb0A-4qa9A:
undetectable		 4lb0A-4qa9A:
24.07
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.
4qgr DEGT/DNRJ/ERYC1/STRS
AMINOTRANSFERASE

(Brucella
abortus) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A 199
ASP A  60
SER A 235
CYH A  55
GLY A 200
 None
 1.50A 4lb0A-4qgrA:
undetectable		 4lb0A-4qgrA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r4n HIV-1 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 SER A 334
GLY A 335
SER A 336
GLY A 412
THR A 413
 None
 0.77A 4lb0A-4r4nA:
undetectable		 4lb0A-4r4nA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF00155
(Aminotran_1_2) 		5 GLY A  92
SER A 234
SER A 236
GLY A  91
THR A  93
 PLP  A 500 (-3.6A)
PLP  A 500 (-2.5A)
PLP  A 500 (-2.9A)
PLP  A 500 (-3.4A)
PLP  A 500 (-3.6A)
 1.39A 4lb0A-4w5kA:
undetectable		 4lb0A-4w5kA:
23.62
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.
5dwd ESTERASE

(Pelagibacterium
halotolerans) 		PF02230
(Abhydrolase_2) 		5 GLY A 200
SER A 199
ASP A 206
SER A 196
THR A 202
 None
 1.34A 4lb0A-5dwdA:
undetectable		 4lb0A-5dwdA:
23.45
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER B 116
GLY B 123
SER B 122
TYR B 745
GLY B 119
 None
 1.43A 4lb0A-5fq6B:
undetectable		 4lb0A-5fq6B:
15.60
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.
5h2g DIAMINOPIMELATE
EPIMERASE

(Corynebacterium
glutamicum) 		PF01678
(DAP_epimerase) 		5 GLY A  84
SER A 220
CYH A 221
GLY A 222
THR A 223
 None
 1.18A 4lb0A-5h2gA:
20.8		 4lb0A-5h2gA:
24.31
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.
5h35 MEMBRANE PROTEIN
TRIC

(Sulfolobus
solfataricus) 		PF03458
(UPF0126) 		5 GLY C  20
SER C  21
SER C  74
GLY C  38
THR C  41
 None
 1.26A 4lb0A-5h35C:
undetectable		 4lb0A-5h35C:
22.22
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.
5t3s FAB 35022 HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER D 130
GLY D 133
SER D 132
GLY D 134
THR D 135
 None
 1.42A 4lb0A-5t3sD:
undetectable		 4lb0A-5t3sD:
22.48
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.
5x5x FD CHAIN OF
ANTI-OSTEOCALCIN
ANTIBODY KTM219

(Mus musculus) 		no annotation 5 SER H  94
GLY H 101
SER H 102
GLY H  99
THR H  96
 None
PG4  H 305 ( 4.7A)
None
PG4  H 305 (-3.6A)
None
 1.35A 4lb0A-5x5xH:
undetectable		 4lb0A-5x5xH:
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.
5ya1 AUTOINDUCER-2 KINASE

(Escherichia
coli) 		no annotation 5 GLY A 251
ASP A 173
SER A 172
GLY A 250
THR A 224
 None
 1.26A 4lb0A-5ya1A:
undetectable		 4lb0A-5ya1A:
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.
6f0q PIZZA6-AYW

(synthetic
construct) 		no annotation 5 SER A 100
GLY A 101
SER A  16
GLY A  59
THR A  71
 None
 1.26A 4lb0A-6f0qA:
undetectable		 4lb0A-6f0qA:
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.
6fhs ARP5

(Chaetomium
thermophilum) 		no annotation 5 SER J 207
GLY J 690
SER J 209
ASP J 190
THR J 689
 None
None
ATP  J 801 (-3.7A)
ATP  J 801 (-3.3A)
None
 1.21A 4lb0A-6fhsJ:
undetectable		 4lb0A-6fhsJ:
undetectable