SIMILAR PATTERNS OF AMINO ACIDS FOR 4AZW_A_SAMA1451_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
 1.22A 4azwA-1a9xB:
undetectable		 4azwA-1a9xB:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d8c MALATE SYNTHASE G

(Escherichia
coli) 		PF01274
(Malate_synthase) 		5 GLN A 525
ALA A 533
GLN A 116
ARG A 134
GLU A 262
 None
 1.27A 4azwA-1d8cA:
undetectable		 4azwA-1d8cA:
20.70
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.
1dot DUCK OVOTRANSFERRIN

(Anas
platyrhynchos) 		PF00405
(Transferrin) 		5 ALA A 601
GLN A 649
ASN A 602
GLU A 655
LEU A 407
 None
 1.23A 4azwA-1dotA:
undetectable		 4azwA-1dotA:
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.
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
 1.11A 4azwA-1e08A:
undetectable		 4azwA-1e08A:
21.18
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.
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
 1.23A 4azwA-1gplA:
undetectable		 4azwA-1gplA:
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.
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
 1.19A 4azwA-1j6oA:
undetectable		 4azwA-1j6oA:
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.
1nzn FISSION PROTEIN
FIS1P

(Homo sapiens) 		PF14852
(Fis1_TPR_N)
PF14853
(Fis1_TPR_C) 		5 TYR A  96
GLY A  83
ALA A  81
ILE A  54
LEU A  61
 None
 1.12A 4azwA-1nznA:
undetectable		 4azwA-1nznA:
14.62
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.
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
 1.10A 4azwA-1pc2A:
undetectable		 4azwA-1pc2A:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 4azwA-1vbgA:
undetectable		 4azwA-1vbgA:
20.11
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.
1w74 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A

(Mycobacterium
tuberculosis) 		PF00160
(Pro_isomerase) 		5 TYR A  52
GLY A  44
PHE A  42
ASN A  41
ILE A 181
 None
 1.22A 4azwA-1w74A:
undetectable		 4azwA-1w74A:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 TYR A  24
GLY A 258
GLU A 189
LEU A 256
VAL A 286
 None
 1.26A 4azwA-1woyA:
undetectable		 4azwA-1woyA:
23.24
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.
1x43 SH3 DOMAIN GRB2-LIKE
PROTEIN B1

(Mus musculus) 		PF14604
(SH3_9) 		5 GLY A  57
GLN A  62
ILE A  42
GLU A  40
VAL A  66
 None
 1.09A 4azwA-1x43A:
undetectable		 4azwA-1x43A:
9.38
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.
2b9l PROPHENOLOXIDASE
ACTIVATING FACTOR

(Holotrichia
diomphalia) 		PF00089
(Trypsin) 		5 ALA A 199
GLN A 206
ASN A 203
ILE A 235
LEU A 196
 None
 1.23A 4azwA-2b9lA:
undetectable		 4azwA-2b9lA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cuw PURS

(Thermus
thermophilus) 		PF02700
(PurS) 		5 GLY A  64
ALA A  62
ILE A  10
GLU A  73
LEU A  77
 None
 1.25A 4azwA-2cuwA:
undetectable		 4azwA-2cuwA:
12.45
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.
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
 1.22A 4azwA-2gahA:
2.1		 4azwA-2gahA:
18.26
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.
2gzs IROE PROTEIN

(Escherichia
coli) 		PF00756
(Esterase) 		5 GLY A  82
GLN A 181
ARG A 183
ILE A 178
GLU A 173
 None
 1.04A 4azwA-2gzsA:
2.2		 4azwA-2gzsA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.04A 4azwA-2hg4A:
undetectable		 4azwA-2hg4A:
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.
2jh1 MICRONEMAL PROTEIN 1

(Toxoplasma
gondii) 		PF10564
(MAR_sialic_bdg) 		5 GLY A  92
GLN A 131
ASN A 135
ILE A  21
VAL A  88
 None
None
ACT  A1262 (-3.6A)
None
None
 0.98A 4azwA-2jh1A:
undetectable		 4azwA-2jh1A:
19.79
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.
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 4azwA-2qnyA:
undetectable		 4azwA-2qnyA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wtg GLOBIN-LIKE PROTEIN

(Caenorhabditis
elegans) 		PF00042
(Globin) 		5 ASN A  41
ARG A  36
GLU A  29
LEU A 128
VAL A 125
 None
 1.23A 4azwA-2wtgA:
undetectable		 4azwA-2wtgA:
15.14
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.
2wyo GLUTATHIONE
SYNTHETASE

(Trypanosoma
brucei) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 ALA A 321
ARG A 284
ILE A 283
LEU A 115
VAL A 215
 None
 1.26A 4azwA-2wyoA:
4.6		 4azwA-2wyoA:
22.26
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.
2x24 ACETYL-COA
CARBOXYLASE

(Bos taurus) 		PF01039
(Carboxyl_trans) 		5 TYR A 135
GLY A 264
ILE A 282
LEU A 270
VAL A 268
 None
 1.06A 4azwA-2x24A:
undetectable		 4azwA-2x24A:
21.00
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.
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
 1.27A 4azwA-2x50A:
3.6		 4azwA-2x50A:
21.94
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.
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 4azwA-3a31A:
undetectable		 4azwA-3a31A:
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.
3aii GLUTAMYL-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 GLN A 303
ALA A 279
ILE A 132
GLU A 164
VAL A 287
 None
 1.17A 4azwA-3aiiA:
undetectable		 4azwA-3aiiA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 GLY A 390
ALA A 284
ASN A 283
ILE A 388
VAL A 339
 None
 1.23A 4azwA-3b4wA:
4.7		 4azwA-3b4wA:
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.
3bg2 DGTP
TRIPHOSPHOHYDROLASE

(Leeuwenhoekiella
blandensis) 		PF01966
(HD) 		5 GLY A 164
ALA A 162
ARG A  65
ILE A 118
VAL A 167
 None
 1.20A 4azwA-3bg2A:
undetectable		 4azwA-3bg2A:
22.70
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.
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
 1.12A 4azwA-3co8A:
2.2		 4azwA-3co8A:
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.
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 4azwA-3cueD:
undetectable		 4azwA-3cueD:
17.78
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.
3e8p UNCHARACTERIZED
PROTEIN

(Shewanella
oneidensis) 		PF03061
(4HBT) 		5 TYR A 117
ALA A 155
PHE A 126
ILE A  53
VAL A  72
 None
 1.24A 4azwA-3e8pA:
undetectable		 4azwA-3e8pA:
16.18
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.
3euo TYPE III PENTAKETIDE
SYNTHASE

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A  90
ALA A  94
GLN A  20
ILE A  63
VAL A 185
 None
 1.25A 4azwA-3euoA:
undetectable		 4azwA-3euoA:
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.
3faj PUTATIVE
UNCHARACTERIZED
PROTEIN

(Acidianus
two-tailed
virus) 		no annotation 5 GLY A  28
GLN A  26
ILE A  81
LEU A  34
VAL A  32
 None
 1.21A 4azwA-3fajA:
undetectable		 4azwA-3fajA:
16.46
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.
3gl5 PUTATIVE DSBA
OXIDOREDUCTASE
SCO1869

(Streptomyces
coelicolor) 		PF01323
(DSBA) 		5 GLY A 124
ALA A 120
PHE A 126
ARG A  93
VAL A 132
 NA  A 301 (-4.7A)
None
None
ACT  A 302 (-2.6A)
NA  A 301 ( 4.9A)
 1.16A 4azwA-3gl5A:
undetectable		 4azwA-3gl5A:
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.
3gr8 NADPH DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00724
(Oxidored_FMN) 		5 ALA A 145
GLN A 147
ASN A 148
ILE A 163
LEU A 170
 None
 1.20A 4azwA-3gr8A:
undetectable		 4azwA-3gr8A:
23.63
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.
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
 1.22A 4azwA-3gv0A:
undetectable		 4azwA-3gv0A:
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.
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
 1.12A 4azwA-3gwbA:
undetectable		 4azwA-3gwbA:
24.90
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.
3h0u PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		5 GLN A 143
ALA A 156
GLN A 158
ARG A 101
LEU A 126
 None
 1.17A 4azwA-3h0uA:
undetectable		 4azwA-3h0uA:
21.31
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.
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
 1.26A 4azwA-3i9v5:
undetectable		 4azwA-3i9v5:
19.23
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.
3mil ISOAMYL
ACETATE-HYDROLYZING
ESTERASE

(Saccharomyces
cerevisiae) 		PF13472
(Lipase_GDSL_2) 		5 GLY A  81
ALA A  82
GLN A  91
ARG A  57
GLU A  97
 None
None
GOL  A 241 (-3.1A)
None
None
 1.09A 4azwA-3milA:
4.0		 4azwA-3milA:
19.28
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLN A 274
GLY A 255
ALA A 279
GLN A 496
ASN A 296
 None
 1.24A 4azwA-3muoA:
undetectable		 4azwA-3muoA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n5n A/G-SPECIFIC ADENINE
DNA GLYCOSYLASE

(Homo sapiens) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		5 GLN X 216
GLY X 207
ALA X 191
GLN X 195
VAL X 220
 None
 1.14A 4azwA-3n5nX:
undetectable		 4azwA-3n5nX:
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.
3ory FLAP ENDONUCLEASE 1

(Desulfurococcus
amylolyticus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 TYR A 109
GLY A 116
ALA A 112
GLN A 114
LEU A 118
 None
 1.25A 4azwA-3oryA:
2.2		 4azwA-3oryA:
23.22
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.
3osu 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Staphylococcus
aureus) 		PF13561
(adh_short_C2) 		5 ALA A  21
GLN A  23
ILE A 137
LEU A   8
VAL A  85
 None
 1.17A 4azwA-3osuA:
5.6		 4azwA-3osuA:
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.
3otr ENOLASE

(Toxoplasma
gondii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A  43
ALA A  40
GLN A 358
ARG A 339
ILE A  44
 None
 1.11A 4azwA-3otrA:
undetectable		 4azwA-3otrA:
21.36
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.
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
 1.10A 4azwA-3p8cB:
undetectable		 4azwA-3p8cB:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q41 GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
ZETA-1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 GLY A  30
ALA A  62
ASN A  61
ILE A  90
LEU A  33
 None
NAG  A 405 (-4.8A)
NAG  A 405 (-1.8A)
None
None
 1.23A 4azwA-3q41A:
2.5		 4azwA-3q41A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 4azwA-3rj8A:
undetectable		 4azwA-3rj8A:
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.
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 4azwA-3rksA:
2.5		 4azwA-3rksA:
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.
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 4azwA-3rzaA:
undetectable		 4azwA-3rzaA:
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.
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
 1.25A 4azwA-3sutA:
undetectable		 4azwA-3sutA:
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.
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 GLY A 403
ALA A 298
ASN A 297
ILE A 401
VAL A 353
 None
 1.16A 4azwA-3u4jA:
5.6		 4azwA-3u4jA:
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.
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
 1.02A 4azwA-3vvdA:
undetectable		 4azwA-3vvdA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.27A 4azwA-3wp5A:
undetectable		 4azwA-3wp5A:
17.45
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)
 1.04A 4azwA-4azvA:
49.4		 4azwA-4azvA:
99.36
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
GLN A  84
ASN A  87
ILE A 110
GLU A 111
LEU A 128
VAL A 130
 SAM  A1474 (-3.5A)
SAM  A1474 (-3.5A)
SAM  A1474 (-3.2A)
SAM  A1474 (-3.0A)
SAM  A1474 (-3.6A)
SAM  A1474 (-3.9A)
SAM  A1474 (-3.7A)
SAM  A1474 (-3.8A)
SAM  A1474 (-2.5A)
SAM  A1474 (-4.3A)
SAM  A1474 ( 3.4A)
 0.21A 4azwA-4azvA:
49.4		 4azwA-4azvA:
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) 		12 TYR A  16
GLN A  17
GLY A  61
ALA A  63
PHE A  83
GLN A  84
ASN A  87
ARG A 109
ILE A 110
GLU A 111
LEU A 128
VAL A 130
 SAM  A1451 (-3.6A)
SAM  A1451 (-3.9A)
SAM  A1451 (-3.6A)
SAM  A1451 (-3.7A)
SAM  A1451 (-3.5A)
SAM  A1451 (-4.2A)
SAM  A1451 (-4.0A)
SAM  A1451 (-3.9A)
SAM  A1451 (-4.0A)
SAM  A1451 (-3.1A)
SAM  A1451 (-4.1A)
SAM  A1451 (-4.6A)
 0.00A 4azwA-4azwA:
61.5		 4azwA-4azwA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 4azwA-4b3iA:
4.2		 4azwA-4b3iA:
21.23
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.
4bi5 TRIOSEPHOSPHATE
ISOMERASE

(Giardia
intestinalis) 		PF00121
(TIM) 		5 GLY A 215
ALA A 217
ARG A 135
GLU A 130
LEU A 235
 None
 1.22A 4azwA-4bi5A:
undetectable		 4azwA-4bi5A:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.14A 4azwA-4btgA:
undetectable		 4azwA-4btgA:
21.48
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.
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 4azwA-4d0mB:
undetectable		 4azwA-4d0mB:
17.37
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.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		5 GLN A 537
ALA A 545
GLN A 116
ARG A 134
GLU A 264
 None
 1.20A 4azwA-4ex4A:
undetectable		 4azwA-4ex4A:
21.18
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.
4eyg TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 GLN A 237
ALA A 208
GLN A 212
ILE A 198
GLU A 196
 None
 1.19A 4azwA-4eygA:
undetectable		 4azwA-4eygA:
20.65
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.
4hgv FUMARATE HYDRATASE
CLASS II

(Sinorhizobium
meliloti) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ALA A  65
GLN A  63
ARG A  56
ILE A 160
GLU A 164
 None
 1.26A 4azwA-4hgvA:
undetectable		 4azwA-4hgvA:
24.68
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.
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
 1.22A 4azwA-4j9vA:
10.1		 4azwA-4j9vA:
23.82
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.
4kgb SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Drosophila
melanogaster) 		PF01144
(CoA_trans) 		5 TYR A 109
GLY A  59
GLN A 132
ASN A  84
ILE A 360
 None
 1.24A 4azwA-4kgbA:
undetectable		 4azwA-4kgbA:
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.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		5 GLY A  81
PHE A 215
ASN A 211
GLU A  11
LEU A 153
 ADE  A 301 (-3.6A)
ADE  A 301 (-4.7A)
ADE  A 301 (-4.5A)
None
None
 1.24A 4azwA-4l0mA:
undetectable		 4azwA-4l0mA:
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.
4mfv BETA-CATENIN-LIKE
PROTEIN 1

(Homo sapiens) 		PF08216
(CTNNBL) 		5 ALA A 451
ARG A 440
ILE A 496
LEU A 490
VAL A 492
 None
 1.16A 4azwA-4mfvA:
undetectable		 4azwA-4mfvA:
20.78
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.
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
 1.24A 4azwA-4mqbA:
undetectable		 4azwA-4mqbA:
20.23
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		5 GLY A 363
ALA A 259
ASN A 258
ILE A 361
VAL A 314
 None
 1.13A 4azwA-4ohtA:
5.1		 4azwA-4ohtA:
21.62
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.
4pbx RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF00041
(fn3)
PF07679
(I-set) 		5 ALA A 294
GLN A 312
ASN A 295
ILE A 243
VAL A 315
 None
NAG  A 701 (-4.2A)
NAG  A 701 (-2.0A)
None
None
 1.18A 4azwA-4pbxA:
undetectable		 4azwA-4pbxA:
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.
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
 1.18A 4azwA-4pelA:
undetectable		 4azwA-4pelA:
17.97
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.
4q9z HUMAN PROTEIN KINASE
C THETA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 ALA A 521
ASN A 509
ARG A 503
ILE A 500
VAL A 431
 PZW  A 801 ( 4.6A)
PZW  A 801 (-4.4A)
None
None
None
 1.17A 4azwA-4q9zA:
8.6		 4azwA-4q9zA:
21.97
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.
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
 1.21A 4azwA-4wd1A:
4.2		 4azwA-4wd1A:
22.21
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.
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
 0.89A 4azwA-4xk8L:
undetectable		 4azwA-4xk8L:
16.25
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.
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 4azwA-4ysbA:
undetectable		 4azwA-4ysbA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b1w C-TYPE LECTIN DOMAIN
FAMILY 4 MEMBER A

(Homo sapiens) 		PF00059
(Lectin_C) 		5 GLN A 226
ALA A 162
GLN A 158
ILE A 153
VAL A 229
 None
 1.10A 4azwA-5b1wA:
undetectable		 4azwA-5b1wA:
12.95
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.
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
 1.18A 4azwA-5cslA:
2.7		 4azwA-5cslA:
12.14
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.
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
 1.23A 4azwA-5e4vA:
undetectable		 4azwA-5e4vA:
23.54
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF00535
(Glycos_transf_2)
PF03552
(Cellulose_synt)
PF07238
(PilZ) 		5 GLY A 557
ALA A 559
ASN A 562
LEU A 552
VAL A 554
 None
None
None
None
BGC  A 909 ( 4.5A)
 1.22A 4azwA-5ej1A:
2.3		 4azwA-5ej1A:
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.
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
 0.97A 4azwA-5eoeA:
undetectable		 4azwA-5eoeA:
21.94
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.
5f1c PUTATIVE
UNCHARACTERIZED
PROTEIN

(Amblyomma
maculatum) 		PF00864
(P2X_receptor) 		5 ALA A 268
ARG A 313
ILE A 117
GLU A 186
LEU A 192
 None
ATP  A 409 (-2.9A)
None
None
None
 1.14A 4azwA-5f1cA:
undetectable		 4azwA-5f1cA:
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.
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
 1.18A 4azwA-5gaiA:
undetectable		 4azwA-5gaiA:
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.
5gw4 T-COMPLEX PROTEIN 1
SUBUNIT GAMMA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ALA g 399
GLN g 397
ILE g 198
LEU g 176
VAL g 179
 None
 1.26A 4azwA-5gw4g:
undetectable		 4azwA-5gw4g:
19.78
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 ALA A 717
PHE A 665
ARG A 735
GLU A 727
LEU A 721
 None
 1.26A 4azwA-5h42A:
undetectable		 4azwA-5h42A:
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 GLY A 697
GLN A 695
ASN A 693
LEU A 812
VAL A 814
 None
 1.16A 4azwA-5hp6A:
undetectable		 4azwA-5hp6A:
19.44
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.
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
 1.25A 4azwA-5kzmA:
undetectable		 4azwA-5kzmA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lfd ALLANTOIN RACEMASE

(Pseudomonas
fluorescens) 		no annotation 5 GLY A 181
GLN A  73
ILE A  18
LEU A 178
VAL A 202
 None
 1.27A 4azwA-5lfdA:
undetectable		 4azwA-5lfdA:
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.
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
 1.13A 4azwA-5mj7A:
undetectable		 4azwA-5mj7A:
22.69
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 ALA B 167
ASN B 170
ARG B 176
ILE B 246
VAL B 402
 None
 1.26A 4azwA-5my0B:
undetectable		 4azwA-5my0B:
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.
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
 1.17A 4azwA-5v1wA:
undetectable		 4azwA-5v1wA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vba LYSOZYME, ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPG1
CHIMERA

(Mycobacterium
kansasii;
Escherichia
virus T4) 		PF00959
(Phage_lysozyme)
PF14011
(ESX-1_EspG) 		5 GLY A  69
ALA A  67
GLN A1141
GLU A1011
LEU A  71
 None
 0.97A 4azwA-5vbaA:
undetectable		 4azwA-5vbaA:
25.90
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.
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 4azwA-5za2A:
undetectable		 4azwA-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.
6au1 PUTATIVE HEMIN
STORAGE PROTEIN

(Bordetella
bronchiseptica) 		no annotation 5 ALA A 511
GLN A 513
ARG A 520
ILE A 519
GLU A 568
 None
 1.23A 4azwA-6au1A:
undetectable		 4azwA-6au1A:
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 GLN A 536
ALA A 544
GLN A 116
ARG A 134
GLU A 263
 None
 1.22A 4azwA-6axeA:
undetectable		 4azwA-6axeA:
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.
6bj9 ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 5 GLY A 116
ALA A 253
ILE A  98
LEU A  37
VAL A 256
 None
 1.27A 4azwA-6bj9A:
undetectable		 4azwA-6bj9A:
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 5 ALA A 125
GLN A 128
ASN A 126
ILE A 150
VAL A  31
 None
 1.20A 4azwA-6dllA:
undetectable		 4azwA-6dllA:
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A1039
ALA A1041
PHE A1054
ILE A1037
VAL A1090
 None
 1.20A 4azwA-6eojA:
undetectable		 4azwA-6eojA:
16.10
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.
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
 1.21A 4azwA-6esqI:
undetectable		 4azwA-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.
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
 1.25A 4azwA-6fhtA:
undetectable		 4azwA-6fhtA:
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.
6fth EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		no annotation 5 GLY A 140
ALA A 324
GLN A 143
ASN A 217
LEU A 419
 None
 1.17A 4azwA-6fthA:
undetectable		 4azwA-6fthA:
undetectable