SIMILAR PATTERNS OF AMINO ACIDS FOR 4AZS_A_SAMA1475_0

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.
1a9x CARBAMOYL PHOSPHATE
SYNTHETASE (SMALL
CHAIN)

(Escherichia
coli) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain) 		5 GLY B1579
ALA B1577
ILE B1632
LEU B1602
VAL B1608
 None
 1.24A 4azsA-1a9xB:
undetectable		 4azsA-1a9xB:
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.
1aog TRYPANOTHIONE
REDUCTASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 111
GLY A  17
ALA A  13
ILE A 325
GLU A 341
 None
 1.30A 4azsA-1aogA:
2.9		 4azsA-1aogA:
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.
1c0i D-AMINO ACID OXIDASE

(Rhodotorula
toruloides) 		PF01266
(DAO) 		5 GLY A1011
ALA A1178
ARG A1160
GLU A1158
LEU A1017
 FAD  A1363 (-3.4A)
None
None
None
None
 1.26A 4azsA-1c0iA:
undetectable		 4azsA-1c0iA:
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.
1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)

(Desulfovibrio
desulfuricans) 		PF02906
(Fe_hyd_lg_C)
PF13187
(Fer4_9) 		5 GLN A 388
ALA A 113
ILE A 295
GLU A 304
VAL A 298
 None
None
CMO  A  10 (-4.4A)
None
None
 1.09A 4azsA-1e08A:
undetectable		 4azsA-1e08A:
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.
1gpl RP2 LIPASE

(Cavia porcellus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLN A 133
GLY A 162
ALA A 129
ILE A 172
LEU A 168
 None
 1.25A 4azsA-1gplA:
undetectable		 4azsA-1gplA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		5 GLN A 112
GLY A  92
ARG A 128
ILE A 127
VAL A 125
 None
 1.20A 4azsA-1j6oA:
undetectable		 4azsA-1j6oA:
19.86
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.
1kbz DTDP-GLUCOSE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF04321
(RmlD_sub_bind) 		5 GLY A 211
ASN A 274
ARG A 150
ILE A 148
GLU A 136
 None
 1.29A 4azsA-1kbzA:
2.9		 4azsA-1kbzA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lqy PEPTIDE DEFORMYLASE
2

(Geobacillus
stearothermophilus) 		PF01327
(Pep_deformylase) 		5 GLY A  60
ALA A  74
ARG A 123
GLU A 108
HIS A 157
 BB2  A 401 (-4.4A)
None
None
BB2  A 401 ( 3.9A)
NI  A 301 ( 3.4A)
 1.15A 4azsA-1lqyA:
undetectable		 4azsA-1lqyA:
14.24
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.
1pc2 MITOCHONDRIA FISSION
PROTEIN

(Homo sapiens) 		PF14852
(Fis1_TPR_N)
PF14853
(Fis1_TPR_C) 		5 TYR A  93
GLY A  80
ALA A  78
ILE A  51
LEU A  58
 None
 1.12A 4azsA-1pc2A:
undetectable		 4azsA-1pc2A:
14.44
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.
1r57 CONSERVED
HYPOTHETICAL PROTEIN

(Staphylococcus
aureus) 		PF14542
(Acetyltransf_CG) 		5 ASN A  11
ILE A  71
LEU A  56
VAL A  60
HIS A  63
 None
 1.22A 4azsA-1r57A:
undetectable		 4azsA-1r57A:
12.01
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.
1snn 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Methanocaldococcus
jannaschii) 		PF00926
(DHBP_synthase) 		5 GLY A 213
ARG A 161
GLU A 166
LEU A 211
HIS A 164
 None
5RP  A 401 (-3.1A)
5RP  A 401 ( 4.5A)
None
ZN  A 402 ( 3.2A)
 1.29A 4azsA-1snnA:
undetectable		 4azsA-1snnA:
16.64
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.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 110
GLY A  16
ALA A  12
ILE A 325
GLU A 341
 GSH  A 497 ( 4.0A)
None
None
None
None
 1.21A 4azsA-1typA:
2.8		 4azsA-1typA:
22.61
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.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE

(Zea mays) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ALA A 541
ASN A 542
ILE A 609
LEU A 616
VAL A 618
 None
SO4  A3001 (-4.0A)
None
None
None
 1.19A 4azsA-1vbgA:
undetectable		 4azsA-1vbgA:
22.17
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.
1wk9 VALYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1) 		5 GLY A 298
PHE A 315
ARG A 318
GLU A 218
LEU A 296
 None
 1.29A 4azsA-1wk9A:
undetectable		 4azsA-1wk9A:
15.32
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.
1yvl SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
PF02865
(STAT_int) 		5 GLY A 467
ALA A 469
ARG A 378
ILE A 458
VAL A 334
 None
 1.27A 4azsA-1yvlA:
undetectable		 4azsA-1yvlA:
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.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 TYR A 483
ILE A 386
GLU A 390
VAL A 446
HIS A 449
 None
 1.27A 4azsA-2ct8A:
2.1		 4azsA-2ct8A:
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.
2dc1 L-ASPARTATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF01958
(DUF108)
PF03447
(NAD_binding_3) 		5 GLY A   4
ALA A  54
ILE A  26
GLU A  20
LEU A  30
 None
None
None
None
NAD  A 242 ( 4.7A)
 1.28A 4azsA-2dc1A:
3.8		 4azsA-2dc1A:
19.27
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.
2eax PEPTIDOGLYCAN
RECOGNITION
PROTEIN-I-BETA

(Homo sapiens) 		PF01510
(Amidase_2) 		5 TYR A 300
GLY A 236
ALA A 304
LEU A 344
VAL A 346
 None
 1.28A 4azsA-2eaxA:
undetectable		 4azsA-2eaxA:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		5 TYR A 109
GLY A 175
ALA A 106
ILE A 176
VAL A 207
 None
 1.26A 4azsA-2eh6A:
undetectable		 4azsA-2eh6A:
19.72
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 TYR A 654
GLY A 662
ILE A 775
GLU A 784
VAL A 679
 None
 1.19A 4azsA-2gahA:
undetectable		 4azsA-2gahA:
21.09
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 GLY A 267
ALA A 382
ARG A 130
ILE A 123
GLU A 126
 None
 1.03A 4azsA-2hg4A:
undetectable		 4azsA-2hg4A:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 ALA A 275
ASN A 302
ILE A 293
VAL A 272
HIS A 271
 PLP  A1494 (-3.5A)
PLP  A1494 (-3.5A)
None
None
None
 1.29A 4azsA-2jisA:
2.6		 4azsA-2jisA:
21.59
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.
2ks6 UDP-N-ACETYLGLUCOSAM
INE TRANSFERASE
SUBUNIT ALG13

(Saccharomyces
cerevisiae) 		PF04101
(Glyco_tran_28_C) 		5 GLY A 167
ALA A 162
ARG A 173
ILE A 169
GLU A  33
 None
 1.24A 4azsA-2ks6A:
2.6		 4azsA-2ks6A:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2okj GLUTAMATE
DECARBOXYLASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 ALA A 375
ASN A 402
ILE A 393
VAL A 372
HIS A 371
 LLP  A 405 ( 3.6A)
LLP  A 405 ( 3.8A)
None
None
None
 1.26A 4azsA-2okjA:
2.5		 4azsA-2okjA:
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.
2okl PEPTIDE DEFORMYLASE
2

(Bacillus cereus) 		PF01327
(Pep_deformylase) 		5 GLY A  60
ALA A  74
ARG A 123
GLU A 108
HIS A 157
 BB2  A 401 (-4.7A)
None
None
BB2  A 401 (-3.8A)
ZN  A 601 ( 3.4A)
 1.18A 4azsA-2oklA:
undetectable		 4azsA-2oklA:
14.44
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.
2os1 PEPTIDE DEFORMYLASE

(Enterococcus
faecalis) 		PF01327
(Pep_deformylase) 		5 GLY A  60
ALA A  74
ARG A 127
GLU A 112
HIS A 161
 BB2  A 400 (-4.4A)
None
None
BB2  A 400 ( 3.9A)
NI  A 300 ( 3.5A)
 1.09A 4azsA-2os1A:
undetectable		 4azsA-2os1A:
16.17
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.
2ou3 TELLURITE RESISTANCE
PROTEIN OF COG3793

(Nostoc
punctiforme) 		PF05099
(TerB) 		5 ALA A  75
ILE A  30
GLU A  26
LEU A  79
VAL A  82
 None
 1.24A 4azsA-2ou3A:
undetectable		 4azsA-2ou3A:
13.44
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.
2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Mycobacterium
tuberculosis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 118
ARG A 127
ILE A 126
LEU A 135
VAL A 166
 None
 1.22A 4azsA-2qnyA:
undetectable		 4azsA-2qnyA:
19.27
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.
2vd9 ALANINE RACEMASE

(Bacillus
anthracis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A  88
ALA A  67
ILE A 139
LEU A  85
HIS A 168
 None
None
None
None
EPC  A1395 ( 3.6A)
 1.29A 4azsA-2vd9A:
undetectable		 4azsA-2vd9A:
21.78
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.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 110
GLY A  16
ALA A  12
ILE A 325
GLU A 341
 GOL  A1494 (-4.0A)
None
None
None
None
 1.25A 4azsA-2wbaA:
3.2		 4azsA-2wbaA:
22.64
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.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 110
GLY A  16
ALA A  12
ILE A 325
GLU A 341
 None
 1.20A 4azsA-2x50A:
3.0		 4azsA-2x50A:
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.
2yyo SPRY
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF00622
(SPRY) 		5 TYR A  65
GLY A  59
ALA A 147
ILE A 123
VAL A  78
 None
 1.30A 4azsA-2yyoA:
undetectable		 4azsA-2yyoA:
13.88
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.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLY A 366
ALA A 364
PHE A 372
ARG A 462
VAL A 439
 None
 1.26A 4azsA-3a31A:
undetectable		 4azsA-3a31A:
22.64
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.
3bg2 DGTP
TRIPHOSPHOHYDROLASE

(Leeuwenhoekiella
blandensis) 		PF01966
(HD) 		5 GLY A 164
ALA A 162
ARG A  65
ILE A 118
VAL A 167
 None
 1.17A 4azsA-3bg2A:
undetectable		 4azsA-3bg2A:
22.96
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.
3bj1 HEMOGLOBIN BETA

(Perca
flavescens) 		PF00042
(Globin) 		5 GLY B  24
ALA B  22
ILE B  67
LEU B  18
HIS B  69
 None
None
HEM  B 148 ( 4.4A)
None
None
 0.94A 4azsA-3bj1B:
undetectable		 4azsA-3bj1B:
12.46
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.
3c7m THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA-LIKE

(Escherichia
coli) 		PF01323
(DSBA) 		5 GLY A 124
ALA A  99
PHE A 120
ILE A 121
VAL A  71
 None
 1.20A 4azsA-3c7mA:
undetectable		 4azsA-3c7mA:
14.21
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.
3cc8 PUTATIVE
METHYLTRANSFERASE

(Bacillus cereus) 		PF13489
(Methyltransf_23) 		5 GLY A  99
ASN A  21
GLU A  60
VAL A 101
HIS A 104
 None
None
None
None
NI  A 231 (-3.2A)
 1.23A 4azsA-3cc8A:
10.9		 4azsA-3cc8A:
17.88
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.
3co8 ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A  70
ALA A  72
ILE A  84
LEU A  62
VAL A  64
 None
 1.10A 4azsA-3co8A:
undetectable		 4azsA-3co8A:
21.47
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.
3cue TRANSPORT PROTEIN
PARTICLE 22 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF04051
(TRAPP) 		5 TYR D  57
GLY D  64
ASN D  62
ILE D  68
LEU D 148
 None
 1.12A 4azsA-3cueD:
undetectable		 4azsA-3cueD:
15.10
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.
3db7 PUTATIVE
CALCIUM-REGULATED
PERIPLASMIC PROTEIN

(Bacteroides
thetaiotaomicron) 		PF11396
(PepSY_like) 		5 PHE A  43
ASN A  68
ILE A  39
LEU A  50
VAL A  64
 None
None
None
EDO  A   4 ( 4.8A)
None
 1.14A 4azsA-3db7A:
undetectable		 4azsA-3db7A:
12.52
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.
3do6 FORMATE--TETRAHYDROF
OLATE LIGASE

(Thermotoga
maritima) 		PF01268
(FTHFS) 		5 ALA A 456
ILE A 434
GLU A 435
LEU A 511
VAL A 496
 EDO  A 544 ( 4.0A)
None
None
None
None
 0.97A 4azsA-3do6A:
undetectable		 4azsA-3do6A:
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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 GLN A  84
ALA A 126
ASN A 128
ILE A 103
VAL A  80
 None
 1.25A 4azsA-3eqqA:
undetectable		 4azsA-3eqqA:
21.17
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.
3fca CYSTEINE SYNTHASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 ALA A 163
ASN A 259
GLU A 149
VAL A 174
HIS A 142
 None
 1.23A 4azsA-3fcaA:
3.3		 4azsA-3fcaA:
19.25
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.
3gv0 TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Agrobacterium
fabrum) 		PF13377
(Peripla_BP_3) 		5 GLY A 210
ARG A 204
ILE A 211
GLU A 218
VAL A 177
 None
 1.23A 4azsA-3gv0A:
3.2		 4azsA-3gv0A:
19.40
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.
3gwb PEPTIDASE M16
INACTIVE DOMAIN
FAMILY PROTEIN

(Pseudomonas
protegens) 		PF05193
(Peptidase_M16_C) 		5 GLY A 272
ARG A 284
ILE A 275
GLU A 346
VAL A 400
 None
 1.05A 4azsA-3gwbA:
undetectable		 4azsA-3gwbA:
23.85
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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 GLY A 721
ILE A 779
LEU A 795
VAL A 797
HIS A 800
 SAH  A 951 (-4.3A)
SAH  A 951 (-3.9A)
SAH  A 951 (-3.9A)
SAH  A 951 (-3.9A)
MG  A 950 ( 3.2A)
 0.79A 4azsA-3htxA:
12.8		 4azsA-3htxA:
20.27
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00346
(Complex1_49kDa)
PF00329
(Complex1_30kDa) 		5 ALA 5 111
PHE 4 375
ARG 4 409
GLU 4  67
VAL 5 118
 None
 1.29A 4azsA-3i9v5:
undetectable		 4azsA-3i9v5:
16.17
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.
3l87 PEPTIDE DEFORMYLASE

(Streptococcus
mutans) 		PF01327
(Pep_deformylase) 		5 GLY A  72
ALA A  86
ARG A 144
GLU A 129
HIS A 178
 None
None
None
None
FE  A 205 (-3.8A)
 1.11A 4azsA-3l87A:
undetectable		 4azsA-3l87A:
18.69
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.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN

(Enterococcus
faecium) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		5 GLN A  83
ALA A  84
ILE A 395
LEU A 428
VAL A 429
 None
 1.23A 4azsA-3m4xA:
8.0		 4azsA-3m4xA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 TYR B 545
ALA B 548
ILE B 409
GLU B 413
LEU B 385
 None
 1.13A 4azsA-3p8cB:
undetectable		 4azsA-3p8cB:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rag UNCHARACTERIZED
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00092
(VWA) 		5 ALA A 218
ILE A  60
GLU A  56
LEU A  11
VAL A  12
 None
 1.30A 4azsA-3ragA:
3.1		 4azsA-3ragA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 195
ALA A 168
PHE A 457
ILE A 187
VAL A 165
 None
 1.23A 4azsA-3rj8A:
undetectable		 4azsA-3rj8A:
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.
3rks HYDROXYNITRILASE

(Manihot
esculenta) 		PF00561
(Abhydrolase_1) 		5 GLN A 239
GLY A  78
ASN A 104
ILE A  86
LEU A   8
 None
 1.25A 4azsA-3rksA:
2.3		 4azsA-3rksA:
19.18
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.
3rza TRIPEPTIDASE

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		6 GLY A 114
ALA A 117
PHE A  11
GLU A 351
LEU A 339
VAL A 341
 None
 1.46A 4azsA-3rzaA:
undetectable		 4azsA-3rzaA:
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 TYR A 286
GLY A 257
ASN A 324
GLU A 252
LEU A 263
 None
 1.18A 4azsA-3sutA:
undetectable		 4azsA-3sutA:
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.
3vvd AMINO ACID ABC
TRANSPORTER, BINDING
PROTEIN

(Thermus
thermophilus) 		PF00497
(SBP_bac_3) 		5 GLY A  17
ALA A  77
ASN A  26
ILE A  56
LEU A  67
 None
 1.05A 4azsA-3vvdA:
undetectable		 4azsA-3vvdA:
19.27
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.
3wp5 CDBFV

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		5 GLY A  46
ALA A 219
PHE A  42
ILE A  24
VAL A  27
 None
 1.26A 4azsA-3wp5A:
undetectable		 4azsA-3wp5A:
14.96
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.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		5 GLY A 275
ALA A 271
ARG A 224
GLU A 198
HIS A 194
 None
 1.17A 4azsA-3wrfA:
undetectable		 4azsA-3wrfA:
23.32
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.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		5 GLY A 107
ALA A 108
PHE A  82
ASN A  95
VAL A 101
 None
 1.28A 4azsA-3zbmA:
undetectable		 4azsA-3zbmA:
21.50
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 ALA A 983
ASN A 984
ILE A1601
GLU A 931
LEU A 940
 None
 1.09A 4azsA-4aygA:
2.6		 4azsA-4aygA:
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 TYR A1511
ASN A 984
ILE A1601
GLU A 931
LEU A 940
 None
 1.20A 4azsA-4aygA:
2.6		 4azsA-4aygA:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		6 GLY A  61
ARG A 109
ILE A 110
GLU A 111
LEU A 128
VAL A 130
 SAM  A1474 (-3.2A)
SAM  A1474 (-4.8A)
SAM  A1474 (-3.8A)
SAM  A1474 (-2.5A)
SAM  A1474 (-4.3A)
SAM  A1474 ( 3.4A)
 1.06A 4azsA-4azvA:
57.8		 4azsA-4azvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		11 TYR A  16
GLN A  17
GLY A  61
ALA A  63
PHE A  83
ASN A  87
ILE A 110
GLU A 111
LEU A 128
VAL A 130
HIS A 133
 SAM  A1474 (-3.5A)
SAM  A1474 (-3.5A)
SAM  A1474 (-3.2A)
SAM  A1474 (-3.0A)
SAM  A1474 (-3.6A)
SAM  A1474 (-3.7A)
SAM  A1474 (-3.8A)
SAM  A1474 (-2.5A)
SAM  A1474 (-4.3A)
SAM  A1474 ( 3.4A)
SAM  A1474 (-3.8A)
 0.06A 4azsA-4azvA:
57.8		 4azsA-4azvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		5 TYR A  16
GLN A  17
LEU A 128
VAL A 130
HIS A 132
 SAM  A1474 (-3.5A)
SAM  A1474 (-3.5A)
SAM  A1474 (-4.3A)
SAM  A1474 ( 3.4A)
CL  A1479 (-4.2A)
 1.17A 4azsA-4azvA:
57.8		 4azsA-4azvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		12 TYR A  16
GLN A  17
GLY A  61
ALA A  63
PHE A  83
ASN A  87
ARG A 109
ILE A 110
GLU A 111
LEU A 128
VAL A 130
HIS A 133
 SAM  A1451 (-3.6A)
SAM  A1451 (-3.9A)
SAM  A1451 (-3.6A)
SAM  A1451 (-3.7A)
SAM  A1451 (-3.5A)
SAM  A1451 (-4.0A)
SAM  A1451 (-3.9A)
SAM  A1451 (-4.0A)
SAM  A1451 (-3.1A)
SAM  A1451 (-4.1A)
SAM  A1451 (-4.6A)
None
 0.31A 4azsA-4azwA:
49.3		 4azsA-4azwA:
99.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		5 TYR A  16
GLN A  17
LEU A 128
VAL A 130
HIS A 132
 SAM  A1451 (-3.6A)
SAM  A1451 (-3.9A)
SAM  A1451 (-4.1A)
SAM  A1451 (-4.6A)
None
 1.27A 4azsA-4azwA:
49.3		 4azsA-4azwA:
99.36
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ALA A 662
PHE A 672
ASN A 663
ILE A 670
VAL A 514
 None
 1.03A 4azsA-4b3iA:
4.0		 4azsA-4b3iA:
23.47
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.
4bi5 TRIOSEPHOSPHATE
ISOMERASE

(Giardia
intestinalis) 		PF00121
(TIM) 		5 GLY A 215
ALA A 217
ARG A 135
GLU A 130
LEU A 235
 None
 1.19A 4azsA-4bi5A:
undetectable		 4azsA-4bi5A:
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.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 5 ALA A 550
ILE A 343
GLU A 559
LEU A 439
VAL A 360
 None
 1.12A 4azsA-4btgA:
undetectable		 4azsA-4btgA:
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.
4bza TRANSLOCATION AND
ASSEMBLY MODULE TAMA

(Escherichia
coli) 		PF07244
(POTRA)
PF17243
(POTRA_TamA_1) 		5 GLY A  68
ALA A  71
ILE A  65
LEU A  35
VAL A  39
 None
 1.28A 4azsA-4bzaA:
undetectable		 4azsA-4bzaA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d0m RAS-RELATED PROTEIN
RAB-11A

(Homo sapiens) 		PF00071
(Ras) 		5 GLY B  86
ALA B  84
PHE B  12
ILE B 168
VAL B 118
 None
 1.26A 4azsA-4d0mB:
undetectable		 4azsA-4d0mB:
16.14
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.
4ecf ABC-TYPE PHOSPHATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Lactobacillus
brevis) 		PF12849
(PBP_like_2) 		5 GLY A 170
ALA A 172
PHE A 169
ASN A 173
ILE A 233
 EDO  A 310 (-4.0A)
EDO  A 310 (-3.6A)
None
None
None
 1.26A 4azsA-4ecfA:
undetectable		 4azsA-4ecfA:
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.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		5 GLY A 275
ALA A 279
ILE A 272
LEU A 323
HIS A 321
 None
 1.30A 4azsA-4fqdA:
undetectable		 4azsA-4fqdA:
22.17
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.
4frw POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 4

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 GLN A  77
ALA A  93
LEU A  79
VAL A  90
HIS A  89
 None
 1.24A 4azsA-4frwA:
undetectable		 4azsA-4frwA:
18.23
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.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 GLN A 452
ASN A  23
ILE A 381
GLU A 379
VAL A 447
 None
 1.28A 4azsA-4j9vA:
9.9		 4azsA-4j9vA:
23.01
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.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans) 		PF01554
(MatE) 		5 GLN A 282
GLY A 276
ASN A 263
ILE A  50
GLU A  51
 None
 1.25A 4azsA-4lz6A:
undetectable		 4azsA-4lz6A:
20.64
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 TYR A 557
GLY A 534
ALA A 556
LEU A 541
VAL A 537
 None
 1.27A 4azsA-4maeA:
undetectable		 4azsA-4maeA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mqb THYMIDYLATE KINASE

(Staphylococcus
aureus) 		PF02223
(Thymidylate_kin) 		5 GLY A  12
ASN A 145
ARG A 139
LEU A 131
VAL A 133
 PG4  A 302 (-4.4A)
None
None
None
None
 1.28A 4azsA-4mqbA:
undetectable		 4azsA-4mqbA:
17.22
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.
4pel PENICILLIN G ACYLASE
SUBUNIT ALPHA
PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens;
Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		5 TYR A  96
GLY A  30
ILE A   9
GLU B 551
VAL A  34
 None
 1.19A 4azsA-4pelA:
undetectable		 4azsA-4pelA:
16.93
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.
4rit PYRIDOXAL-DEPENDENT
DECARBOXYLASE

(Sphaerobacter
thermophilus) 		no annotation 5 ALA B 274
ASN B 301
ILE B 292
VAL B 271
HIS B 270
 LLP  B 304 ( 3.5A)
LLP  B 304 ( 3.7A)
None
None
None
 1.26A 4azsA-4ritB:
2.9		 4azsA-4ritB:
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.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		5 GLY A 389
ALA A 411
ASN A 430
ILE A 380
LEU A 391
 None
 1.28A 4azsA-4ru4A:
undetectable		 4azsA-4ru4A:
22.54
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.
4wd1 ACETOACETATE-COA
LIGASE

(Streptomyces
lividans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ALA A 168
ARG A 129
GLU A 126
LEU A 163
VAL A 161
 None
 1.25A 4azsA-4wd1A:
4.7		 4azsA-4wd1A:
22.30
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.
4xdo LYSINE-SPECIFIC
DEMETHYLASE 4C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 GLY A 302
ALA A 305
ARG A 330
ILE A 299
LEU A 196
 None
 1.27A 4azsA-4xdoA:
undetectable		 4azsA-4xdoA:
20.67
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.
4xk8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pisum sativum) 		PF02605
(PsaL) 		5 GLY L  85
ALA L  83
ILE L 144
LEU L  60
VAL L 147
 None
BCR  L 201 ( 3.9A)
None
None
None
 0.87A 4azsA-4xk8L:
undetectable		 4azsA-4xk8L:
14.79
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.
4yk6 ADENOMATOUS
POLYPOSIS COLI
PROTEIN

(Homo sapiens) 		PF00514
(Arm)
PF16629
(Arm_APC_u3) 		5 GLY A 635
ASN A 679
ILE A 631
GLU A 582
LEU A 592
 None
 1.21A 4azsA-4yk6A:
undetectable		 4azsA-4yk6A:
20.07
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.
4ysb METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Myxococcus
xanthus) 		PF00753
(Lactamase_B) 		5 GLY A  79
ALA A  87
PHE A  54
ILE A 117
VAL A  91
 None
 1.22A 4azsA-4ysbA:
undetectable		 4azsA-4ysbA:
18.74
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.
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 GLY A1736
ASN A1587
ILE A1754
LEU A1742
VAL A1740
 None
 1.25A 4azsA-5cslA:
3.1		 4azsA-5cslA:
13.81
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.
5e4v NUCLEOPROTEIN,PHOSPH
OPROTEIN

(Measles
morbillivirus) 		PF00973
(Paramyxo_ncap)
PF13825
(Paramyxo_PNT) 		5 GLY A 319
ALA A 317
PHE A 333
LEU A 324
VAL A 322
 None
 1.22A 4azsA-5e4vA:
undetectable		 4azsA-5e4vA:
22.88
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.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 GLY A  51
ILE A  26
GLU A  30
LEU A  41
VAL A  39
 None
 1.03A 4azsA-5eoeA:
undetectable		 4azsA-5eoeA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gai PORTAL PROTEIN

(Salmonella
virus P22) 		PF16510
(P22_portal) 		5 GLN A 142
ALA A 454
ARG A 273
ILE A 251
GLU A 230
 None
 1.13A 4azsA-5gaiA:
undetectable		 4azsA-5gaiA:
20.79
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.
5i08 SPIKE GLYCOPROTEIN,
ENVELOPE
GLYCOPROTEIN CHIMERA

(Human
immunodeficiency
virus 1;
Human
coronavirus
HKU1) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		5 ALA A1005
PHE A1146
ASN A1009
ILE A1130
VAL A 983
 None
 1.25A 4azsA-5i08A:
2.7		 4azsA-5i08A:
17.65
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.
5kzm TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Francisella
tularensis) 		PF00290
(Trp_syntA) 		5 GLY A 231
ALA A 224
PHE A  20
ILE A  21
LEU A 177
 None
 1.26A 4azsA-5kzmA:
undetectable		 4azsA-5kzmA:
19.08
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.
5m5j THIOREDOXIN
REDUCTASE

(Giardia
intestinalis) 		PF07992
(Pyr_redox_2) 		5 GLY A  10
ALA A 109
LEU A  30
VAL A   7
HIS A   6
 None
 1.27A 4azsA-5m5jA:
undetectable		 4azsA-5m5jA:
20.67
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.
5mj7 UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF01156
(IU_nuc_hydro) 		5 TYR A 224
ALA A 229
ASN A 230
GLU A 244
LEU A 327
 None
 1.09A 4azsA-5mj7A:
3.7		 4azsA-5mj7A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u3f BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01063
(Aminotran_4) 		5 ALA A 170
ARG A 124
GLU A 121
LEU A 167
VAL A  40
 None
 1.28A 4azsA-5u3fA:
undetectable		 4azsA-5u3fA:
22.43
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 GLN A  58
GLY A 453
ALA A 456
ARG A 518
ILE A 451
 None
 1.24A 4azsA-5v1wA:
undetectable		 4azsA-5v1wA:
20.83
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.
5za2 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 GLY A  27
ALA A  46
ARG A  24
ILE A  25
LEU A 338
 None
GOL  A 402 ( 3.9A)
None
None
None
 1.16A 4azsA-5za2A:
undetectable		 4azsA-5za2A:
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 GLY I 279
ALA I 275
ILE I 283
LEU I 263
VAL I 236
 None
 1.22A 4azsA-6esqI:
undetectable		 4azsA-6esqI:
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 GLN A1383
ALA A1393
ARG A1446
ILE A1434
GLU A1436
 None
 1.12A 4azsA-6fayA:
undetectable		 4azsA-6fayA:
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.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Synechocystis
sp. PCC 6803;
Deinococcus
radiodurans) 		no annotation 5 TYR A 479
GLY A 424
ALA A 423
ARG A 364
GLU A 487
 None
 1.19A 4azsA-6fhtA:
undetectable		 4azsA-6fhtA:
undetectable