SIMILAR PATTERNS OF AMINO ACIDS FOR 4QB9_E_PARE500_1

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.
1cpn CIRCULARLY PERMUTED

(Paenibacillus
macerans) 		PF00722
(Glyco_hydro_16) 		5 LEU A  53
ASP A 133
ASP A 132
TYR A 138
GLY A 128
 None
 1.11A 4qb9E-1cpnA:
0.0		 4qb9E-1cpnA:
18.07
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.
1ej8 LYS7

(Saccharomyces
cerevisiae) 		PF00080
(Sod_Cu) 		5 SER A 195
LEU A 196
SER A 210
TYR A  90
GLY A 127
 None
 1.41A 4qb9E-1ej8A:
undetectable		 4qb9E-1ej8A:
13.49
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.
1fnz BARK AGGLUTININ I,
POLYPEPTIDE A

(Robinia
pseudoacacia) 		PF00139
(Lectin_legB) 		5 TYR A 220
GLU A 125
ASP A  87
ASP A 127
GLY A 138
 A2G  A 555 (-3.2A)
None
A2G  A 555 (-2.9A)
CA  A 500 (-2.2A)
None
 1.50A 4qb9E-1fnzA:
0.0		 4qb9E-1fnzA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN

(Methanocaldococcus
jannaschii) 		PF00005
(ABC_tran) 		5 PHE A  66
SER A  29
TYR A 224
ASP A 221
GLY A  33
 None
 1.46A 4qb9E-1gajA:
0.7		 4qb9E-1gajA:
18.93
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.
1hsl HISTIDINE-BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		5 SER A  70
PHE A  17
LEU A  71
GLU A 188
GLY A 194
 HIS  A 239 (-4.8A)
None
HIS  A 239 (-4.7A)
None
None
 1.21A 4qb9E-1hslA:
0.0		 4qb9E-1hslA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ktc ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Gallus gallus) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		5 SER A 145
GLU A 123
ASP A 120
TYR A 153
GLY A 152
 SO4  A2102 (-4.7A)
None
None
None
None
 1.37A 4qb9E-1ktcA:
0.0		 4qb9E-1ktcA:
21.85
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.
1mac 1,3-1,4-BETA-D-GLUCA
N 4-GLUCANOHYDROLASE

(Paenibacillus
macerans) 		PF00722
(Glyco_hydro_16) 		5 LEU A 109
ASP A 189
ASP A 188
TYR A 194
GLY A 184
 None
 1.14A 4qb9E-1macA:
undetectable		 4qb9E-1macA:
18.27
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.
1sd5 PUTATIVE
ANTITERMINATOR

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF03861
(ANTAR) 		5 SER A  95
THR A  92
TYR A 111
GLU A  20
ASP A  65
 None
 1.47A 4qb9E-1sd5A:
0.0		 4qb9E-1sd5A:
20.44
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 PHE A 433
PHE A 450
LEU A 601
THR A 602
ASP A 604
 None
 1.41A 4qb9E-1suvA:
1.0		 4qb9E-1suvA:
21.64
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.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 SER A  61
LEU A  52
THR A  53
SER A   3
ASP A  57
 None
 1.47A 4qb9E-1tcsA:
undetectable		 4qb9E-1tcsA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 SER A 275
SER A 242
ASP A 234
TYR A 265
GLY A 269
 None
NAD  A 501 ( 4.8A)
ADN  A 502 (-2.8A)
None
None
 1.39A 4qb9E-1v8bA:
undetectable		 4qb9E-1v8bA:
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.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 SER A 288
SER A  38
GLU A  99
TYR A 301
GLY A 292
 None
PLP  A 413 ( 4.8A)
None
None
None
 1.49A 4qb9E-1ve1A:
undetectable		 4qb9E-1ve1A:
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.
1w2u ENDOGLUCANASE

(Humicola grisea) 		PF01670
(Glyco_hydro_12) 		5 PHE A 137
TYR A 183
GLU A 120
TYR A 154
GLY A 153
 None
None
BGC  A 303 (-2.9A)
None
None
 1.39A 4qb9E-1w2uA:
undetectable		 4qb9E-1w2uA:
18.38
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 LEU A 259
GLU A 436
ASP A 266
TYR A 687
GLY A 263
 None
 1.28A 4qb9E-1z8lA:
undetectable		 4qb9E-1z8lA:
19.89
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.
1zit TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00072
(Response_reg) 		5 LEU A 100
SER A 105
GLU A  10
ASP A  52
GLY A  81
 None
 1.26A 4qb9E-1zitA:
undetectable		 4qb9E-1zitA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 SER A 243
THR A 148
SER A 362
ASP A 156
GLY A 145
 None
None
None
None
FAD  A 501 ( 4.9A)
 1.49A 4qb9E-1zr6A:
undetectable		 4qb9E-1zr6A:
21.25
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.
2e7u GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 SER A 116
THR A 121
SER A 123
TYR A 277
GLY A 146
 PMP  A1001 (-3.7A)
PMP  A1001 ( 4.8A)
None
None
PMP  A1001 ( 4.1A)
 1.16A 4qb9E-2e7uA:
undetectable		 4qb9E-2e7uA:
23.67
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.
2e7u GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 SER A 116
THR A 121
SER A 123
TYR A 277
TYR A 144
 PMP  A1001 (-3.7A)
PMP  A1001 ( 4.8A)
None
None
PMP  A1001 (-4.6A)
 1.46A 4qb9E-2e7uA:
undetectable		 4qb9E-2e7uA:
23.67
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		5 PHE A 283
TYR A 229
GLU A 340
ASP A 294
GLY A  41
 None
 1.27A 4qb9E-2gfiA:
undetectable		 4qb9E-2gfiA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2poe CYCLOPHILIN-LIKE
PROTEIN, PUTATIVE

(Cryptosporidium
parvum) 		PF00160
(Pro_isomerase) 		5 THR A 116
ASP A  88
ASP A  89
TYR A 135
GLY A 109
 None
FMT  A 202 (-4.8A)
None
FMT  A 203 ( 4.1A)
None
 1.50A 4qb9E-2poeA:
undetectable		 4qb9E-2poeA:
17.79
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.
2pxx UNCHARACTERIZED
PROTEIN MGC2408

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 SER A 176
PHE A 206
SER A 173
TYR A 186
TYR A  20
 None
 1.43A 4qb9E-2pxxA:
undetectable		 4qb9E-2pxxA:
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 THR A 283
SER A 281
ASP A 338
TYR A 253
GLY A 252
 None
 1.43A 4qb9E-2quaA:
0.1		 4qb9E-2quaA:
21.70
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.
2v6j RNA HELICASE

(Kokobera virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		5 THR A  47
SER A  45
TYR A  58
GLU A 101
ASP A 100
 None
 1.49A 4qb9E-2v6jA:
undetectable		 4qb9E-2v6jA:
22.46
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.
2veo LIPASE A

(Moesziomyces
antarcticus) 		PF03583
(LIP) 		5 PHE A 233
LEU A 367
GLU A 181
ASP A 122
GLY A 213
 PG4  A1443 (-4.7A)
None
None
None
None
 1.35A 4qb9E-2veoA:
1.1		 4qb9E-2veoA:
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.
2xmo LMO2642 PROTEIN

(Listeria
monocytogenes) 		PF00149
(Metallophos) 		5 PHE A 276
THR A 303
SER A 279
ASP A  47
GLY A 314
 None
None
None
MN  A 555 (-3.2A)
None
 1.46A 4qb9E-2xmoA:
undetectable		 4qb9E-2xmoA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 LEU A 232
THR A 233
SER A 297
GLU A  77
TYR A 106
 None
 1.42A 4qb9E-2xsrA:
undetectable		 4qb9E-2xsrA:
23.67
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		5 PHE A  73
THR A  97
SER A  95
ASP A  23
GLY A  66
 None
MES  A 301 (-3.7A)
None
CA  A 401 (-3.0A)
MES  A 301 (-3.4A)
 1.47A 4qb9E-2z0jA:
undetectable		 4qb9E-2z0jA:
21.90
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 THR A 282
SER A 280
ASP A 337
TYR A 252
GLY A 251
 None
None
CA  A 619 (-2.2A)
None
None
 1.48A 4qb9E-2z8zA:
1.9		 4qb9E-2z8zA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 SER A 117
THR A 122
SER A 124
TYR A 279
GLY A 147
 PMP  A 431 ( 3.8A)
PMP  A 431 ( 4.4A)
None
None
PMP  A 431 ( 3.7A)
 1.18A 4qb9E-3bs8A:
undetectable		 4qb9E-3bs8A:
23.14
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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 SER A 117
THR A 122
SER A 124
TYR A 279
TYR A 145
 PMP  A 431 ( 3.8A)
PMP  A 431 ( 4.4A)
None
None
None
 1.45A 4qb9E-3bs8A:
undetectable		 4qb9E-3bs8A:
23.14
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.
3dsq PYRROLYSYL-TRNA
SYNTHETASE

(Desulfitobacterium
hafniense) 		PF01409
(tRNA-synt_2d) 		5 PHE A 239
THR A 220
SER A 214
GLU A 229
ASP A 222
 None
 1.40A 4qb9E-3dsqA:
undetectable		 4qb9E-3dsqA:
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.
3eb7 INSECTICIDAL
DELTA-ENDOTOXIN
CRY8EA1

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 PHE A 607
THR A 283
SER A 242
ASP A 280
GLY A 535
 None
 1.10A 4qb9E-3eb7A:
0.8		 4qb9E-3eb7A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 PHE A  96
SER A 207
LEU A 178
GLU A 142
ASP A 137
 None
None
None
SAM  A 300 ( 4.6A)
SAM  A 300 (-2.9A)
 1.29A 4qb9E-3fzgA:
undetectable		 4qb9E-3fzgA:
15.76
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.
3gl5 PUTATIVE DSBA
OXIDOREDUCTASE
SCO1869

(Streptomyces
coelicolor) 		PF01323
(DSBA) 		5 PHE A 185
PHE A  21
LEU A 118
SER A   7
TYR A 122
 None
 1.39A 4qb9E-3gl5A:
undetectable		 4qb9E-3gl5A:
23.73
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.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 PHE A 100
PHE A 125
ASP A  50
TYR A  43
GLY A  46
 None
 1.49A 4qb9E-3gwjA:
undetectable		 4qb9E-3gwjA:
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		5 PHE A 707
PHE A 831
THR A 703
GLU A 727
TYR A 719
 None
 1.26A 4qb9E-3ibjA:
undetectable		 4qb9E-3ibjA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jze DIHYDROOROTASE

(Salmonella
enterica) 		PF01979
(Amidohydro_1) 		5 PHE A 243
TYR A 279
ASP A  15
ASP A  14
GLY A 300
 None
 1.38A 4qb9E-3jzeA:
undetectable		 4qb9E-3jzeA:
24.72
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.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 SER A 117
THR A 122
SER A 124
TYR A 279
GLY A 147
 PLP  A 900 (-4.0A)
PLP  A 900 ( 4.8A)
None
None
PLP  A 900 (-3.8A)
 1.18A 4qb9E-3k28A:
undetectable		 4qb9E-3k28A:
20.68
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.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 SER A 117
THR A 122
SER A 124
TYR A 279
TYR A 145
 PLP  A 900 (-4.0A)
PLP  A 900 ( 4.8A)
None
None
None
 1.44A 4qb9E-3k28A:
undetectable		 4qb9E-3k28A:
20.68
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.
3n9x PHOSPHOTRANSFERASE

(Plasmodium
berghei) 		PF00069
(Pkinase) 		5 TYR A 217
GLU A  75
ASP A 154
ASP A 172
GLY A  37
 None
GOL  A 433 ( 4.8A)
None
GOL  A 433 (-2.7A)
GOL  A 433 (-3.4A)
 1.43A 4qb9E-3n9xA:
undetectable		 4qb9E-3n9xA:
21.52
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.
3r7k PROBABLE ACYL COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 PHE A 234
SER A 216
GLU A  56
ASP A 228
GLY A 181
 None
 1.43A 4qb9E-3r7kA:
undetectable		 4qb9E-3r7kA:
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 PHE B 358
LEU B 248
THR B 674
SER B 678
ASP B 670
 None
 1.43A 4qb9E-3v0aB:
undetectable		 4qb9E-3v0aB:
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 LEU A 388
TYR A 409
GLU A 291
ASP A 307
GLY A  27
 None
 1.46A 4qb9E-3vabA:
undetectable		 4qb9E-3vabA:
24.17
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.
3vxc PUTATIVE
SUGAR-BINDING
LIPOPROTEIN

(Streptomyces
thermoviolaceus) 		PF01547
(SBP_bac_1) 		5 PHE A 381
THR A 290
ASP A  46
ASP A  47
GLY A 293
 None
None
BXP  A 601 (-3.1A)
None
None
 1.50A 4qb9E-3vxcA:
undetectable		 4qb9E-3vxcA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		5 PHE A 203
SER A 237
PHE A 239
LEU A 235
GLY A 231
 None
 1.38A 4qb9E-3zbmA:
undetectable		 4qb9E-3zbmA:
21.46
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 PHE A 119
LEU A 148
THR A 123
ASP A 183
GLY A  93
 None
 1.34A 4qb9E-3zu0A:
undetectable		 4qb9E-3zu0A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuh PROTEIN CBBX

(Rhodobacter
sphaeroides) 		PF00004
(AAA) 		5 PHE A 135
THR A  78
ASP A 203
TYR A 177
GLY A  74
 None
ADP  A1299 (-4.2A)
None
None
None
 1.29A 4qb9E-3zuhA:
undetectable		 4qb9E-3zuhA:
22.58
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.
3zx1 OXIDOREDUCTASE,
PUTATIVE

(Campylobacter
jejuni) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PHE A 441
PHE A 448
ASP A 150
TYR A 177
GLY A 142
 None
 1.20A 4qb9E-3zx1A:
undetectable		 4qb9E-3zx1A:
20.96
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.
4ads PDX2 PROTEIN

(Plasmodium
falciparum) 		PF01174
(SNO) 		5 PHE G 112
PHE G 110
GLU G 198
ASP G  14
GLY G  52
 None
 1.43A 4qb9E-4adsG:
undetectable		 4qb9E-4adsG:
17.36
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 PHE A 476
GLU A 504
ASP A 499
TYR A  91
GLY A  90
 None
 1.19A 4qb9E-4aefA:
undetectable		 4qb9E-4aefA:
21.90
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.
4auo INTERSTITIAL
COLLAGENASE

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		5 LEU A 263
THR A 264
ASP A 266
ASP A 408
GLY A 422
 None
 1.10A 4qb9E-4auoA:
undetectable		 4qb9E-4auoA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 PHE A 450
LEU A 321
SER A 456
TYR A 123
GLY A 498
 None
 1.26A 4qb9E-4av6A:
0.1		 4qb9E-4av6A:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 SER B 291
LEU A 352
THR B 230
ASP B 233
GLY A 382
 None
 1.24A 4qb9E-4cakB:
undetectable		 4qb9E-4cakB:
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.
4cu5 ENDOLYSIN

(Clostridium
virus phiCD27) 		no annotation 5 PHE A 267
LEU A 261
THR A 260
ASP A 256
GLY A 234
 None
 1.17A 4qb9E-4cu5A:
undetectable		 4qb9E-4cu5A:
10.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e69 2-DEHYDRO-3-DEOXYGLU
CONOKINASE

(Oceanicola
granulosus) 		PF00294
(PfkB) 		5 SER A  50
THR A  30
ASP A 161
ASP A 256
GLY A  28
 None
 1.36A 4qb9E-4e69A:
undetectable		 4qb9E-4e69A:
25.11
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.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		5 SER A 214
LEU A 193
THR A 194
SER A 169
GLU A 152
 EDO  A 401 (-2.7A)
None
EDO  A 401 (-4.2A)
None
None
 1.19A 4qb9E-4fmzA:
undetectable		 4qb9E-4fmzA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 281
ASP A 293
ASP A 292
TYR A 239
GLY A 263
 None
None
0XW  A 403 ( 4.4A)
None
None
 1.48A 4qb9E-4h2hA:
undetectable		 4qb9E-4h2hA:
24.45
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.
4hac MEVALONATE KINASE

(Methanosarcina
mazei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 SER A 142
THR A  33
SER A   5
ASP A  83
TYR A  61
 None
 1.26A 4qb9E-4hacA:
undetectable		 4qb9E-4hacA:
26.76
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.
4kc8 GLYCOSIDE HYDROLASE,
FAMILY 43

(Thermotoga
petrophila) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 PHE A 307
TYR A 247
GLU A 388
ASP A 391
GLY A 292
 None
 1.40A 4qb9E-4kc8A:
undetectable		 4qb9E-4kc8A:
24.85
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.
4nux INTERLEUKIN-17
RECEPTOR A

(Homo sapiens) 		PF08357
(SEFIR) 		5 PHE A 574
SER A 448
LEU A 446
GLU A 417
ASP A 413
 None
 1.31A 4qb9E-4nuxA:
undetectable		 4qb9E-4nuxA:
18.22
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 SER A 439
THR A 502
SER A 494
GLU A 182
GLY A 432
 None
 1.43A 4qb9E-4r1dA:
undetectable		 4qb9E-4r1dA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF03512
(Glyco_hydro_52) 		5 SER A 418
THR A 485
GLU A 387
ASP A 377
GLY A 487
 None
 1.36A 4qb9E-4rhhA:
undetectable		 4qb9E-4rhhA:
22.02
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.
4yxc FLAGELLAR ASSEMBLY
PROTEIN H,ENDOLYSIN
FLAGELLAR MOTOR
SWITCH PROTEIN
FLIM,FLAGELLAR MOTOR
SWITCH PROTEIN FLIN

(Escherichia
virus T4;
Salmonella
enterica) 		PF00959
(Phage_lysozyme)
PF01052
(FliMN_C)
PF16973
(FliN_N) 		5 THR B  68
TYR B  66
ASP A  17
ASP A  18
GLY B  71
 None
 1.38A 4qb9E-4yxcB:
undetectable		 4qb9E-4yxcB:
20.82
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 LEU A1542
THR A1551
TYR A1610
GLU A1546
ASP A1545
 None
 1.46A 4qb9E-5cslA:
undetectable		 4qb9E-5cslA:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 SER A 358
PHE A 356
SER A 369
ASP A 307
GLY A  75
 None
 1.30A 4qb9E-5fjiA:
undetectable		 4qb9E-5fjiA:
18.93
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A 488
THR A 519
TYR A 485
GLU A 568
GLY A 131
 None
None
C8E  A1720 ( 4.3A)
None
None
 1.45A 4qb9E-5fp1A:
undetectable		 4qb9E-5fp1A:
19.67
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.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 SER B 327
PHE B 351
LEU B 302
GLU B 231
ASP B 255
 None
 1.31A 4qb9E-5gqrB:
undetectable		 4qb9E-5gqrB:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		5 SER A 169
SER A 159
GLU A 199
TYR A 146
GLY A 147
 None
 1.34A 4qb9E-5idtA:
undetectable		 4qb9E-5idtA:
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.
5j72 PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE
AMIDASE,AUTOLYSIN
CWP6

(Clostridioides
difficile) 		PF01520
(Amidase_3)
PF04122
(CW_binding_2) 		5 PHE A 366
THR A 358
GLU A 629
ASP A 354
GLY A 324
 None
 1.12A 4qb9E-5j72A:
undetectable		 4qb9E-5j72A:
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.
5jbo BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		5 PHE A 160
LEU A 112
TYR A  78
ASP A  66
ASP A  64
 None
 1.50A 4qb9E-5jboA:
undetectable		 4qb9E-5jboA:
22.52
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.
5sv9 BOR1P BORON
TRANSPORTER

(Saccharomyces
mikatae) 		PF00955
(HCO3_cotransp) 		5 PHE A 330
LEU A 101
SER A 328
ASP A  38
GLY A  94
 None
 1.42A 4qb9E-5sv9A:
undetectable		 4qb9E-5sv9A:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 SER A  83
LEU A 118
SER A 121
TYR A 126
ASP A 292
 7LF  A 502 (-3.5A)
COA  A 501 ( 4.8A)
COA  A 501 ( 4.4A)
COA  A 501 (-4.0A)
None
 0.75A 4qb9E-5tvjA:
50.7		 4qb9E-5tvjA:
60.42
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.
5x41 COBALT TRANSPORT
PROTEIN CBIM

(Rhodobacter
capsulatus) 		no annotation 5 SER M 157
THR M 152
SER M 114
GLU M 193
ASP M 149
 None
 1.47A 4qb9E-5x41M:
undetectable		 4qb9E-5x41M:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis) 		no annotation 5 SER A 165
SER A 155
GLU A 195
TYR A 142
GLY A 143
 None
None
None
None
DAU  A 301 (-3.4A)
 1.29A 4qb9E-6b5eA:
undetectable		 4qb9E-6b5eA:
12.62
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A1440
GLU A1418
ASP A1411
TYR A1403
GLY A1432
 None
 1.44A 4qb9E-6emkA:
undetectable		 4qb9E-6emkA:
10.41
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 5 PHE A 531
THR A 285
SER A 560
ASP A 547
GLY A 283
 None
None
None
None
FAD  A 601 ( 3.8A)
 1.48A 4qb9E-6f72A:
undetectable		 4qb9E-6f72A:
11.48
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 5 SER A 303
GLU A 591
ASP A 633
TYR A  20
GLY A 630
 None
CA  A 802 (-2.7A)
CA  A 802 (-2.8A)
None
None
 1.37A 4qb9E-6f91A:
undetectable		 4qb9E-6f91A:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fk6 RHODOPSIN

(Bos taurus) 		no annotation 5 PHE A 105
PHE A 103
LEU A  95
THR A  92
GLY A  89
 None
 1.34A 4qb9E-6fk6A:
undetectable		 4qb9E-6fk6A:
10.16
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 5 PHE A 740
SER A 600
PHE A 604
TYR A 728
GLY A 732
 None
CLA  A1011 ( 4.3A)
CLA  A1011 (-4.6A)
None
CLA  A1011 (-3.9A)
 1.31A 4qb9E-6fosA:
undetectable		 4qb9E-6fosA:
10.93
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.
6g1i -

(-) 		no annotation 5 PHE A 220
LEU A 223
GLU A 175
TYR A 143
GLY A 260
 None
None
MN  A 409 (-2.7A)
None
None
 1.47A 4qb9E-6g1iA:
undetectable		 4qb9E-6g1iA:
undetectable