SIMILAR PATTERNS OF AMINO ACIDS FOR 1IA0_B_TXLB502_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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 VAL B 479
ASP B 477
SER B 475
THR B 436
ARG B 344
 None
 1.28A 1ia0B-1gl9B:
undetectable		 1ia0B-1gl9B:
17.62
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.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 VAL A 358
ASP A 363
PHE A 290
THR A 232
GLY A 245
 None
 1.21A 1ia0B-1kxhA:
undetectable		 1ia0B-1kxhA:
22.95
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.
1m4x PBCV-1 VIRUS CAPSID

(Paramecium
bursaria
Chlorella virus
1) 		PF04451
(Capsid_NCLDV)
PF16903
(Capsid_N) 		5 VAL A  96
ASP A  95
PHE A  74
THR A 133
ARG A 121
 None
 1.30A 1ia0B-1m4xA:
undetectable		 1ia0B-1m4xA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mpy CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase) 		5 VAL A  72
LEU A 167
PHE A 174
PRO A   8
GLY A  69
 None
 1.23A 1ia0B-1mpyA:
undetectable		 1ia0B-1mpyA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yfy 3-HYDROXYANTHRANILAT
E-3,4-DIOXYGENASE

(Cupriavidus
metallidurans) 		PF06052
(3-HAO) 		5 LEU A 139
ASP A  53
PHE A 150
PRO A  24
GLY A  26
 None
 1.32A 1ia0B-1yfyA:
undetectable		 1ia0B-1yfyA:
16.85
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.
2ed7 NETRIN RECEPTOR DCC

(Homo sapiens) 		PF00041
(fn3) 		5 VAL A  24
ASP A  23
LEU A  81
SER A 103
PRO A 105
 None
 1.32A 1ia0B-2ed7A:
undetectable		 1ia0B-2ed7A:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 VAL A  96
ASP A  99
ASP A 107
THR A 255
GLY A 400
 None
 1.41A 1ia0B-2fjaA:
undetectable		 1ia0B-2fjaA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jz0 PROTEIN DOUBLESEX

(Drosophila
melanogaster) 		PF08828
(DSX_dimer) 		5 VAL A   8
ASP A   7
ASP A  38
PRO A   3
GLY A   1
 None
 1.05A 1ia0B-2jz0A:
undetectable		 1ia0B-2jz0A:
10.44
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.
2m7s SERINE/ARGININE-RICH
SPLICING FACTOR 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 VAL A  47
LEU A  70
THR A  73
PRO A  24
GLY A  22
 None
 1.29A 1ia0B-2m7sA:
undetectable		 1ia0B-2m7sA:
12.41
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.
2nq2 HYPOTHETICAL ABC
TRANSPORTER
ATP-BINDING PROTEIN
HI1470
HYPOTHETICAL ABC
TRANSPORTER PERMEASE
PROTEIN HI1471

(Haemophilus
influenzae) 		PF00005
(ABC_tran)
PF01032
(FecCD) 		5 ASP C  85
LEU A  78
HIS A 279
THR A 286
GLY A 276
 None
 1.20A 1ia0B-2nq2C:
undetectable		 1ia0B-2nq2C:
18.65
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.
2ppg PUTATIVE ISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 120
ASP A 121
ASP A 103
HIS A 102
GLY A 292
 None
 1.49A 1ia0B-2ppgA:
0.0		 1ia0B-2ppgA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0y GCN5-RELATED
N-ACETYLTRANSFERASE

(Cupriavidus
pinatubonensis) 		PF00583
(Acetyltransf_1) 		5 LEU A  32
SER A 147
THR A  31
PRO A 149
GLY A 152
 None
 1.40A 1ia0B-2q0yA:
undetectable		 1ia0B-2q0yA:
15.63
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 VAL A 167
ASP A 168
LEU A  97
ARG A 178
GLY A 190
 None
 1.42A 1ia0B-2wd9A:
undetectable		 1ia0B-2wd9A:
22.18
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.
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3

(Homo sapiens) 		PF01026
(TatD_DNase) 		5 LEU A 130
HIS A 147
SER A 190
THR A 155
GLY A 174
 None
ZN  A1273 ( 3.1A)
None
None
None
 1.29A 1ia0B-2y1hA:
0.0		 1ia0B-2y1hA:
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		5 HIS A 174
THR A 258
ARG A 283
ARG A  59
GLY A 325
 ZN  A1006 (-3.2A)
None
None
None
None
 1.26A 1ia0B-2z00A:
2.6		 1ia0B-2z00A:
20.93
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases) 		5 VAL A  37
ASP A  38
LEU A 584
THR A 583
PRO A 570
 None
 1.46A 1ia0B-3ayxA:
undetectable		 1ia0B-3ayxA:
20.26
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.
3dzb PREPHENATE
DEHYDROGENASE

(Streptococcus
thermophilus) 		PF02153
(PDH) 		5 VAL A 120
ASP A 177
THR A 185
PRO A 124
GLY A  98
 None
 1.50A 1ia0B-3dzbA:
undetectable		 1ia0B-3dzbA:
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 VAL A 370
LEU A 567
PHE A 421
THR A 424
PRO A 348
 None
 1.46A 1ia0B-3ecqA:
undetectable		 1ia0B-3ecqA:
14.74
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.
3hb0 EYES ABSENT HOMOLOG
2 (DROSOPHILA)

(Homo sapiens) 		PF00702
(Hydrolase) 		5 VAL A 336
ASP A 339
ASP A 329
PHE A 355
GLY A 373
 None
 1.23A 1ia0B-3hb0A:
3.4		 1ia0B-3hb0A:
21.10
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.
3i2n WD REPEAT-CONTAINING
PROTEIN 92

(Homo sapiens) 		PF00400
(WD40) 		5 VAL A 170
ASP A 118
ASP A 166
ARG A 266
GLY A  71
 None
 1.39A 1ia0B-3i2nA:
undetectable		 1ia0B-3i2nA:
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.
3j2s COAGULATION FACTOR
VIII LIGHT CHAIN

(Homo sapiens) 		PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2) 		5 LEU B1752
HIS B1755
ARG B1764
ARG B1705
GLY B1760
 None
 1.39A 1ia0B-3j2sB:
undetectable		 1ia0B-3j2sB:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6n METALLO-BETA-LACTAMA
SE

(Chryseobacterium
indologenes) 		PF00753
(Lactamase_B) 		5 VAL A 165
ASP A 175
LEU A 236
PRO A 218
GLY A 219
 None
 1.36A 1ia0B-3l6nA:
undetectable		 1ia0B-3l6nA:
19.96
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.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		5 LEU A   9
HIS A  89
PHE A 366
THR A 325
ARG A 341
 None
TPO  A  85 ( 4.0A)
None
None
None
 1.38A 1ia0B-3m8yA:
undetectable		 1ia0B-3m8yA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		5 LEU A   9
HIS A  89
PHE A 366
THR A 325
GLY A 329
 None
TPO  A  85 ( 4.0A)
None
None
None
 1.28A 1ia0B-3m8yA:
undetectable		 1ia0B-3m8yA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmm PUTATIVE CYTOPLASMIC
PROTEIN

(Klebsiella
pneumoniae) 		PF07470
(Glyco_hydro_88) 		5 LEU A  24
PHE A 379
THR A 372
ARG A  29
GLY A  82
 None
 1.47A 1ia0B-3pmmA:
0.0		 1ia0B-3pmmA:
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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 LEU A 549
ASP A 388
SER A 286
THR A 520
GLY A 370
 None
None
None
UDP  A 621 (-3.7A)
None
 1.31A 1ia0B-3q3hA:
undetectable		 1ia0B-3q3hA:
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		5 VAL L  36
ASP L  37
LEU L 591
THR L 590
PRO L 577
 None
 1.40A 1ia0B-3rgwL:
undetectable		 1ia0B-3rgwL:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sjr UNCHARACTERIZED
PROTEIN

(Chromobacterium
violaceum) 		no annotation 5 ASP A  74
LEU A 157
HIS A  93
THR A 161
PRO A  77
 None
 1.29A 1ia0B-3sjrA:
undetectable		 1ia0B-3sjrA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t7c CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 VAL A  75
ASP A  76
ASP A  88
ARG A 137
GLY A 131
 None
NAD  A 279 (-3.2A)
None
None
None
 1.28A 1ia0B-3t7cA:
5.9		 1ia0B-3t7cA:
21.21
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		5 VAL A 158
LEU A 233
PHE A 207
THR A 219
PRO A 122
 None
 1.40A 1ia0B-3thcA:
1.8		 1ia0B-3thcA:
19.10
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.
3ue9 ADENYLOSUCCINATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF00709
(Adenylsucc_synt) 		5 ASP A 294
LEU A 375
ASP A 329
THR A 244
GLY A 284
 None
 1.13A 1ia0B-3ue9A:
undetectable		 1ia0B-3ue9A:
22.85
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 288
PHE A 352
THR A  36
PRO A  14
GLY A  15
 None
 1.49A 1ia0B-3vcnA:
0.0		 1ia0B-3vcnA:
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.
3vom PUTATIVE
PHOSPHOSERINE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		5 VAL A 146
ASP A 145
HIS A 102
ARG A 229
GLY A 123
 None
 1.33A 1ia0B-3vomA:
undetectable		 1ia0B-3vomA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vx8 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME ATG7

(Arabidopsis
thaliana) 		no annotation 5 VAL D 201
ASP D 200
ASP D 221
HIS D 218
SER D 132
 None
 0.82A 1ia0B-3vx8D:
undetectable		 1ia0B-3vx8D:
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.
4eku PROTEIN-TYROSINE
KINASE 2-BETA

(Homo sapiens) 		PF00373
(FERM_M) 		5 ASP A 346
LEU A 144
THR A 150
ARG A 353
GLY A  91
 None
 1.34A 1ia0B-4ekuA:
undetectable		 1ia0B-4ekuA:
21.13
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 VAL A1127
LEU A1306
PHE A1045
THR A1274
GLY A1064
 None
 1.22A 1ia0B-4fbqA:
undetectable		 1ia0B-4fbqA:
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.
4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Caulobacter sp.
K31) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 288
PHE A 352
THR A  36
PRO A  14
GLY A  15
 None
 1.49A 1ia0B-4fi4A:
0.0		 1ia0B-4fi4A:
23.28
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 VAL A  43
ASP A  42
LEU A  31
SER A  20
ARG A  15
 None
 1.38A 1ia0B-4fnqA:
undetectable		 1ia0B-4fnqA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 LEU A  19
HIS A 418
THR A  61
PRO A 121
GLY A 122
 None
 1.49A 1ia0B-4gr4A:
undetectable		 1ia0B-4gr4A:
20.95
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.
4iwh 3-ISOPROPYLMALATE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00180
(Iso_dh) 		5 VAL A  68
ASP A   9
LEU A  93
PRO A  48
GLY A  41
 None
 1.48A 1ia0B-4iwhA:
2.3		 1ia0B-4iwhA:
21.27
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.
4nv4 SIGNAL PEPTIDASE I

(Bacillus
anthracis) 		PF00717
(Peptidase_S24) 		5 HIS A  90
PHE A 126
THR A 132
ARG A 149
GLY A  85
 None
 1.42A 1ia0B-4nv4A:
undetectable		 1ia0B-4nv4A:
18.10
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.
4pf1 PEPTIDASE
S15/COCE/NOND

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 ASP A 466
ASP A 456
HIS A 460
THR A 440
PRO A 432
 None
 1.47A 1ia0B-4pf1A:
undetectable		 1ia0B-4pf1A:
20.26
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.
4urm DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		5 VAL A 130
HIS A  46
PHE A 184
PRO A  32
GLY A  33
 None
 1.49A 1ia0B-4urmA:
undetectable		 1ia0B-4urmA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yjy CHALCONE SYNTHASE 1

(Oryza sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 VAL A 320
LEU A 250
PHE A 374
THR A 248
GLY A 287
 None
 1.15A 1ia0B-4yjyA:
undetectable		 1ia0B-4yjyA:
21.43
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.
4z5y COENZYME PQQ
SYNTHESIS PROTEIN B

(Pseudomonas
putida) 		PF12706
(Lactamase_B_2) 		5 ASP A  59
ASP A 220
HIS A 269
THR A 273
GLY A  12
 None
None
CU  A 402 (-3.6A)
None
None
 1.46A 1ia0B-4z5yA:
undetectable		 1ia0B-4z5yA:
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.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B

(Methylobacterium
extorquens) 		PF12706
(Lactamase_B_2) 		5 ASP A  59
ASP A 216
HIS A 265
THR A 269
GLY A  12
 None
None
ZN  A 302 (-3.3A)
None
None
 1.48A 1ia0B-4z7rA:
undetectable		 1ia0B-4z7rA:
20.76
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.
4zef AMINO ACID ABC
TRANSPORTER AMINO
ACID-BINDING/PERMEAS
E

(Enterococcus
faecalis) 		PF00497
(SBP_bac_3) 		5 VAL A 480
ASP A 482
ASP A 286
THR A 399
GLY A 424
 None
 1.47A 1ia0B-4zefA:
undetectable		 1ia0B-4zefA:
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		5 VAL A1041
ASP A1044
LEU A1108
ASP A1177
GLY A1100
 None
 1.06A 1ia0B-4zhjA:
undetectable		 1ia0B-4zhjA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cr9 ABC-TYPE
FE3+-HYDROXAMATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Saccharomonospora
viridis) 		PF01497
(Peripla_BP_2) 		5 VAL A 278
ASP A 137
HIS A 116
SER A  66
PRO A 316
 None
None
MN  A 501 ( 3.4A)
None
None
 1.41A 1ia0B-5cr9A:
2.3		 1ia0B-5cr9A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1r BURKHOLDERIA
PSEUDOMALLEI
SPHINGOSINE-1-PHOSPH
ATE LYASE BPSS2021

(Burkholderia
pseudomallei) 		PF00282
(Pyridoxal_deC) 		5 VAL A 109
ASP A 113
LEU A 282
PHE A 289
GLY A 261
 None
 1.50A 1ia0B-5k1rA:
undetectable		 1ia0B-5k1rA:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 5 LEU B 217
ASP B 226
PHE B 272
ARG B 320
PRO B 360
 None
 1.01A 1ia0B-5n5nB:
45.7		 1ia0B-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 5 LEU B 217
PHE B 272
THR B 276
ARG B 320
PRO B 360
 None
 0.97A 1ia0B-5n5nB:
45.7		 1ia0B-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 5 LEU B 217
THR B 276
ARG B 320
PRO B 360
GLY B 370
 None
 0.81A 1ia0B-5n5nB:
45.7		 1ia0B-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 6 VAL B  23
HIS B 229
SER B 236
ARG B 320
PRO B 360
GLY B 370
 None
 1.14A 1ia0B-5n5nB:
45.7		 1ia0B-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 6 VAL B  23
LEU B 217
HIS B 229
ARG B 320
PRO B 360
GLY B 370
 None
 1.00A 1ia0B-5n5nB:
45.7		 1ia0B-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 6 VAL B  23
LEU B 217
HIS B 229
PHE B 272
ARG B 320
PRO B 360
 None
 1.01A 1ia0B-5n5nB:
45.7		 1ia0B-5n5nB:
97.89
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		5 ASP A 393
HIS A 542
THR A 319
PRO A 536
GLY A 537
 NAG  A1405 ( 4.8A)
None
None
None
None
 1.42A 1ia0B-5szsA:
undetectable		 1ia0B-5szsA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vbc PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ATXR5

(Ricinus
communis) 		PF00856
(SET) 		5 VAL A 273
ASP A 272
ARG A 231
PRO A 304
GLY A 308
 None
 1.40A 1ia0B-5vbcA:
undetectable		 1ia0B-5vbcA:
19.33
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.
5vkq NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L

(Drosophila
melanogaster) 		PF00023
(Ank)
PF00520
(Ion_trans)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ASP A1142
LEU A1081
PHE A1116
THR A1079
GLY A1110
 None
 1.28A 1ia0B-5vkqA:
0.0		 1ia0B-5vkqA:
13.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 VAL B  23
LEU B 215
ARG B 318
PRO B 358
GLY B 360
 TA1  B 502 (-3.9A)
None
None
None
TA1  B 502 (-3.6A)
 0.81A 1ia0B-5w3jB:
46.0		 1ia0B-5w3jB:
75.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g2j NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
3, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 HIS C  67
SER C 103
PHE C  72
THR C  60
GLY C  26
 None
 1.40A 1ia0B-6g2jC:
undetectable		 1ia0B-6g2jC:
10.09
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.
6gnf -

(-) 		no annotation 5 ASP A 111
LEU A  20
PHE A  45
THR A  17
GLY A 102
 None
QPS  A 602 (-4.3A)
None
QPS  A 602 (-3.2A)
None
 1.20A 1ia0B-6gnfA:
3.9		 1ia0B-6gnfA:
undetectable