SIMILAR PATTERNS OF AMINO ACIDS FOR 4Z4C_A_IPHA906

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.
1ezr NUCLEOSIDE HYDROLASE

(Leishmania
major) 		PF01156
(IU_nuc_hydro) 		4 ALA A 197
LYS A 238
THR A 200
TYR A 236
 None
 1.29A 4z4cA-1ezrA:
undetectable		 4z4cA-1ezrA:
17.24
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.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 ASP A 275
ALA A 251
THR A 289
TYR A 274
 HPA  A 599 (-2.8A)
None
None
None
 1.01A 4z4cA-1jftA:
7.5		 4z4cA-1jftA:
16.90
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.
1lml LEISHMANOLYSIN

(Leishmania
major) 		PF01457
(Peptidase_M8) 		4 ASP A 342
ALA A 340
THR A 355
TYR A 353
 None
 1.43A 4z4cA-1lmlA:
4.1		 4z4cA-1lmlA:
18.53
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.
1pzs SUPEROXIDE DISMUTASE
[CU-ZN]

(Mycobacterium
tuberculosis) 		PF00080
(Sod_Cu) 		4 ASP A 158
ALA A 133
THR A 156
THR A 155
 None
 1.40A 4z4cA-1pzsA:
undetectable		 4z4cA-1pzsA:
13.70
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.
1uj4 RIBOSE 5-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF06026
(Rib_5-P_isom_A) 		4 ASP A  86
ALA A 104
THR A  58
THR A  62
 None
CL  A 301 (-3.9A)
None
None
 1.32A 4z4cA-1uj4A:
undetectable		 4z4cA-1uj4A:
14.49
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.
1un9 DIHYDROXYACETONE
KINASE

(Citrobacter
freundii) 		PF02733
(Dak1)
PF02734
(Dak2) 		4 ASP A  89
ALA A 121
LYS A 124
THR A  93
 None
 1.39A 4z4cA-1un9A:
3.4		 4z4cA-1un9A:
21.37
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.
1v96 HYPOTHETICAL PROTEIN
PH0500

(Pyrococcus
horikoshii) 		no annotation 4 ASP A 116
THR A 114
THR A 130
TYR A 120
 None
 1.47A 4z4cA-1v96A:
2.3		 4z4cA-1v96A:
11.12
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.
1ve4 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF01634
(HisG) 		4 ASP A  78
ALA A 120
THR A 113
TYR A 115
 None
 1.49A 4z4cA-1ve4A:
undetectable		 4z4cA-1ve4A:
12.15
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.
1w2w 5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE
5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01008
(IF-2B)
PF01008
(IF-2B) 		4 ASP A 147
ALA A  57
THR B 315
THR B 316
 None
 1.39A 4z4cA-1w2wA:
undetectable		 4z4cA-1w2wA:
13.38
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		4 ASP A 207
LYS A 134
THR A 111
TYR A 136
 None
 1.43A 4z4cA-1wraA:
undetectable		 4z4cA-1wraA:
16.05
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.
1y82 HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		PF01850
(PIN) 		4 ASP A 116
THR A 114
THR A 130
TYR A 120
 None
None
None
UNX  A 335 (-4.7A)
 1.39A 4z4cA-1y82A:
undetectable		 4z4cA-1y82A:
10.82
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 ASP A 297
ALA A 303
THR A 294
TYR A 301
 None
 1.30A 4z4cA-1yiqA:
undetectable		 4z4cA-1yiqA:
23.36
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		4 ASP A 152
ALA A  67
THR A 300
THR A 301
 None
 1.47A 4z4cA-2a0uA:
2.6		 4z4cA-2a0uA:
17.52
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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		4 ASP A 334
ALA A 339
THR A 221
THR A 303
 None
 1.42A 4z4cA-2b61A:
3.0		 4z4cA-2b61A:
18.68
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		4 ASP A 182
LYS A 109
THR A  86
TYR A 111
 None
 1.45A 4z4cA-2bibA:
undetectable		 4z4cA-2bibA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		4 ASP A   8
LYS A  41
THR A  14
THR A  37
 MG  A1003 ( 4.1A)
None
None
None
 1.32A 4z4cA-2d0oA:
3.7		 4z4cA-2d0oA:
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.
2fe0 SMALL MYRISTOYLATED
PROTEIN 1

(Leishmania
major) 		PF09149
(DUF1935) 		4 ALA A  49
THR A  98
THR A  20
TYR A  51
 None
 1.33A 4z4cA-2fe0A:
undetectable		 4z4cA-2fe0A:
9.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		4 ASP B 134
ALA B 213
THR B 187
THR B 186
 B13  B 500 (-4.3A)
B13  B 500 ( 4.8A)
None
None
 1.41A 4z4cA-2i2xB:
5.7		 4z4cA-2i2xB:
15.78
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.
2nvo RO SIXTY-RELATED
PROTEIN, RSR

(Deinococcus
radiodurans) 		PF05731
(TROVE) 		4 ASP A 462
ALA A 496
THR A 461
THR A 465
 CA  A 533 ( 4.3A)
None
None
None
 1.46A 4z4cA-2nvoA:
2.9		 4z4cA-2nvoA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oux MAGNESIUM
TRANSPORTER

(Enterococcus
faecalis) 		PF00571
(CBS)
PF03448
(MgtE_N) 		4 ASP A  67
ALA A 100
THR A 143
TYR A  96
 None
None
MG  A 406 ( 4.9A)
None
 1.12A 4z4cA-2ouxA:
undetectable		 4z4cA-2ouxA:
15.75
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.
2uu7 GLUTAMINE SYNTHETASE

(Canis lupus) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 ASP A 239
ALA A 250
THR A 237
THR A 138
 None
 1.43A 4z4cA-2uu7A:
undetectable		 4z4cA-2uu7A:
17.94
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.
2uu7 GLUTAMINE SYNTHETASE

(Canis lupus) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 ASP A 239
ALA A 344
THR A 237
THR A 138
 None
 1.40A 4z4cA-2uu7A:
undetectable		 4z4cA-2uu7A:
17.94
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ASP A 275
LYS A 281
THR A 283
TYR A 278
 None
 1.11A 4z4cA-2vpwA:
undetectable		 4z4cA-2vpwA:
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.
2w48 SORBITOL OPERON
REGULATOR

(Klebsiella
pneumoniae) 		PF04198
(Sugar-bind)
PF13936
(HTH_38) 		4 ALA A  28
THR A  37
THR A  36
TYR A  34
 None
 1.43A 4z4cA-2w48A:
undetectable		 4z4cA-2w48A:
16.31
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.
3dg7 MUCONATE
CYCLOISOMERASE

(Mycolicibacterium
smegmatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A 268
LYS A 266
THR A 301
THR A 304
 None
MUC  A1001 (-2.9A)
None
None
 1.40A 4z4cA-3dg7A:
3.9		 4z4cA-3dg7A:
18.53
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.
3doo SHIKIMATE
DEHYDROGENASE

(Staphylococcus
epidermidis) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 ASP A 100
ALA A  78
THR A  99
THR A  86
 SKM  A 300 (-2.9A)
None
None
None
 1.44A 4z4cA-3dooA:
undetectable		 4z4cA-3dooA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbg PUTATIVE ARGINATE
LYASE

(Staphylococcus
haemolyticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A 226
ALA A 247
THR A 225
THR A 244
 None
 1.48A 4z4cA-3fbgA:
undetectable		 4z4cA-3fbgA:
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.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 ASP A  87
THR A 296
THR A 295
TYR A 328
 CA  A 601 (-2.1A)
None
None
None
 1.50A 4z4cA-3hjrA:
1.6		 4z4cA-3hjrA:
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.
3i09 PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Burkholderia
mallei) 		PF13458
(Peripla_BP_6) 		4 ASP A  74
ALA A  41
THR A  34
THR A 102
 None
None
None
AAE  A 501 (-4.0A)
 1.38A 4z4cA-3i09A:
4.9		 4z4cA-3i09A:
18.67
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.
3i3v PROBABLE SECRETED
SOLUTE-BINDING
LIPOPROTEIN

(Streptomyces
coelicolor) 		PF01547
(SBP_bac_1) 		4 ASP A 119
ALA A 150
THR A 112
THR A 117
 None
 1.16A 4z4cA-3i3vA:
undetectable		 4z4cA-3i3vA:
19.95
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.
3kb6 D-LACTATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASP A  76
ALA A 230
THR A 208
TYR A 204
 PPI  A 453 (-3.9A)
NAD  A 400 (-4.6A)
NAD  A 400 (-4.7A)
None
 1.12A 4z4cA-3kb6A:
3.1		 4z4cA-3kb6A:
17.81
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ASP A 458
ALA A 253
THR A 251
THR A 249
 None
 1.17A 4z4cA-3kjrA:
undetectable		 4z4cA-3kjrA:
21.61
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.
3lpd ACIDIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE APRV2

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 ASP A  49
ALA A 124
THR A 257
TYR A 270
 CA  A   1 (-2.2A)
None
None
None
 1.39A 4z4cA-3lpdA:
undetectable		 4z4cA-3lpdA:
17.68
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.
3oib ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ASP A 229
ALA A 185
THR A 180
THR A 112
 None
None
FDA  A 518 (-3.9A)
None
 1.34A 4z4cA-3oibA:
undetectable		 4z4cA-3oibA:
17.54
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.
3ojl CAP5O

(Staphylococcus
aureus) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ASP A 262
ALA A 121
THR A 119
THR A  82
 None
None
NAD  A 500 (-3.7A)
NAD  A 500 (-3.1A)
 1.24A 4z4cA-3ojlA:
undetectable		 4z4cA-3ojlA:
18.79
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.
3qlb ENANTIO-PYOCHELIN
RECEPTOR

(Pseudomonas
fluorescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASP A 564
ALA A  31
THR A  59
TYR A  33
 None
 1.44A 4z4cA-3qlbA:
undetectable		 4z4cA-3qlbA:
23.33
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.
3qpc CUTINASE

(Fusarium solani) 		PF01083
(Cutinase) 		4 ALA A 127
THR A 144
THR A 167
TYR A 162
 None
 1.30A 4z4cA-3qpcA:
4.9		 4z4cA-3qpcA:
13.23
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.
3r7k PROBABLE ACYL COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ASP A 228
ALA A 184
THR A 179
THR A 111
 None
None
FDA  A 420 (-4.0A)
None
 1.35A 4z4cA-3r7kA:
undetectable		 4z4cA-3r7kA:
18.44
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.
3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Alicyclobacillus
acidocaldarius) 		PF13472
(Lipase_GDSL_2) 		4 ASP A  92
ALA A  66
THR A 115
TYR A 112
 None
 1.49A 4z4cA-3rjtA:
3.7		 4z4cA-3rjtA:
15.12
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		4 ASP A 293
THR A 302
THR A 305
TYR A 289
 None
 1.39A 4z4cA-3sl1A:
4.4		 4z4cA-3sl1A:
16.39
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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 ASP A  49
ALA A 124
THR A 257
TYR A 270
 CA  A 353 (-2.3A)
None
None
None
 1.35A 4z4cA-3ti7A:
undetectable		 4z4cA-3ti7A:
18.18
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.
3voh CELLOBIOHYDROLASE

(Coprinopsis
cinerea) 		PF01341
(Glyco_hydro_6) 		4 ASP A 314
ALA A 256
THR A 307
TYR A 313
 None
 1.24A 4z4cA-3vohA:
undetectable		 4z4cA-3vohA:
18.72
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF00037
(Fer4)
PF01058
(Oxidored_q6) 		4 ALA B 167
THR B 135
THR B 203
TYR B 202
 None
 1.36A 4z4cA-4ci0B:
undetectable		 4z4cA-4ci0B:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cxk ARYLSULFATASE

(Pseudomonas
aeruginosa) 		PF00884
(Sulfatase) 		4 ASP A 317
ALA A  50
LYS A 375
THR A  47
 CA  A1528 (-2.0A)
DDZ  A  51 ( 3.1A)
SO4  A1529 (-2.8A)
None
 1.07A 4z4cA-4cxkA:
undetectable		 4z4cA-4cxkA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dd5 ACETYL-COA
ACETYLTRANSFERASE

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ALA A 286
LYS A 303
THR A 390
THR A 391
 None
 1.37A 4z4cA-4dd5A:
undetectable		 4z4cA-4dd5A:
18.89
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.
4h3w HYPOTHETICAL PROTEIN

(Parabacteroides
distasonis) 		PF15414
(DUF4621) 		4 ASP A 133
ALA A 199
LYS A 203
THR A 154
 None
None
MLY  A 202 ( 2.9A)
None
 1.48A 4z4cA-4h3wA:
undetectable		 4z4cA-4h3wA:
16.13
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.
4hpv S-ADENOSYLMETHIONINE
SYNTHASE

(Sulfolobus
solfataricus) 		PF01941
(AdoMet_Synthase) 		4 ASP A 199
ALA A 278
THR A 272
THR A 274
 None
 1.41A 4z4cA-4hpvA:
undetectable		 4z4cA-4hpvA:
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.
4ij5 PHOSPHOSERINE
PHOSPHATASE 1

(Hydrogenobacter
thermophilus) 		PF00300
(His_Phos_1) 		4 ASP A 175
ALA A 177
THR A 197
TYR A 204
 None
 1.20A 4z4cA-4ij5A:
undetectable		 4z4cA-4ij5A:
13.00
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.
4iy9 30K PROTEIN 1

(Bombyx mori) 		PF03260
(Lipoprotein_11) 		4 ASP A 121
ALA A 100
LYS A  91
THR A 102
 None
 1.30A 4z4cA-4iy9A:
undetectable		 4z4cA-4iy9A:
12.11
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.
4ja0 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bombyx mori) 		PF00731
(AIRC)
PF01259
(SAICAR_synt) 		4 ASP A 212
ALA A  57
LYS A  39
THR A  21
 None
None
None
SO4  A 505 (-3.6A)
 1.37A 4z4cA-4ja0A:
6.3		 4z4cA-4ja0A:
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.
4jng NUCLEOCAPSID PROTEIN

(Sathuperi
orthobunyavirus) 		PF00952
(Bunya_nucleocap) 		4 ASP A 156
ALA A 154
THR A 139
TYR A 158
 None
 1.40A 4z4cA-4jngA:
undetectable		 4z4cA-4jngA:
13.79
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.
4k9d GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Brugia malayi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 ASP A 203
ALA A 207
THR A 189
THR A 187
 None
 1.48A 4z4cA-4k9dA:
3.4		 4z4cA-4k9dA:
17.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		6 ASP A 535
ALA A 541
LYS A 568
THR A 850
THR A 853
TYR A 855
 None
None
U  R   1 ( 3.2A)
None
None
None
 0.15A 4z4cA-4krfA:
59.6		 4z4cA-4krfA:
82.46
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.
4lws UNCHARACTERIZED
PROTEIN
UNCHARACTERIZED
PROTEIN

(Thermomonospora
curvata;
Thermomonospora
curvata) 		PF06013
(WXG100)
PF06013
(WXG100) 		4 ASP B  45
THR A  80
THR A  83
TYR A  84
 None
 1.27A 4z4cA-4lwsB:
undetectable		 4z4cA-4lwsB:
8.90
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.
4mq0 PARKIA BIGLOBOSA
LECTIN (PBL)

(Parkia
biglobosa) 		PF01419
(Jacalin) 		4 ASP A 431
ALA A 429
THR A 389
TYR A 432
 MMA  A 502 (-3.1A)
None
None
MMA  A 502 (-3.8A)
 1.48A 4z4cA-4mq0A:
undetectable		 4z4cA-4mq0A:
20.47
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.
4np4 TOXIN B

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		4 ASP A1924
ALA A1922
LYS A1906
TYR A1942
 None
 1.42A 4z4cA-4np4A:
undetectable		 4z4cA-4np4A:
15.31
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.
4o59 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Bos taurus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 ASP O 195
ALA O 199
THR O 181
THR O 179
 None
None
None
NAD  O 401 ( 4.9A)
 1.47A 4z4cA-4o59O:
undetectable		 4z4cA-4o59O:
18.15
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.
4o6r ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 ASP A  16
ALA A  36
THR A  38
THR A 207
 None
 1.46A 4z4cA-4o6rA:
3.6		 4z4cA-4o6rA:
20.85
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.
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF00388
(PI-PLC-X) 		4 ASP A  31
ALA A  46
THR A  48
THR A 252
 INS  A 402 ( 4.3A)
None
None
None
 1.00A 4z4cA-4rv3A:
undetectable		 4z4cA-4rv3A:
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.
4u1a ENOYL-COA DELTA
ISOMERASE 2

(Homo sapiens) 		PF00378
(ECH_1) 		4 ASP A 147
ALA A 140
THR A 116
THR A 152
 None
 1.25A 4z4cA-4u1aA:
undetectable		 4z4cA-4u1aA:
15.41
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.
4uhh ESTERASE

(Thermogutta
terrifontis) 		PF00561
(Abhydrolase_1) 		4 ASP A  81
ALA A  83
THR A   9
THR A  10
 None
 1.35A 4z4cA-4uhhA:
2.2		 4z4cA-4uhhA:
14.88
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.
4xij SHIKIMATE
5-DEHYDROGENASE

(Mycolicibacterium
fortuitum) 		PF08501
(Shikimate_dh_N) 		4 ASP A 106
ALA A  83
THR A 105
THR A  91
 SO4  A 304 (-2.7A)
None
None
None
 1.49A 4z4cA-4xijA:
undetectable		 4z4cA-4xijA:
17.95
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.
4xlt RESPONSE REGULATOR
RECEIVER PROTEIN

(Dyadobacter
fermentans) 		PF00072
(Response_reg) 		4 ASP A   2
ALA A   0
THR A  26
THR A  27
 None
 1.30A 4z4cA-4xltA:
4.9		 4z4cA-4xltA:
9.09
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.
5a5u EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT I

(Oryctolagus
cuniculus) 		PF00400
(WD40) 		4 ASP I 201
ALA I 300
LYS I  17
THR I 298
 None
 1.46A 4z4cA-5a5uI:
undetectable		 4z4cA-5a5uI:
17.27
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Schizosaccharomyces
pombe) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		4 ASP I 363
LYS I 328
THR I 348
THR I 331
 None
 1.20A 4z4cA-5b04I:
2.0		 4z4cA-5b04I:
22.05
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.
5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Homo sapiens) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 ASP O 270
ALA O 274
THR O 256
THR O 254
 None
None
SO4  O 502 (-3.0A)
SO4  O 502 (-3.0A)
 1.50A 4z4cA-5c7oO:
4.1		 4z4cA-5c7oO:
18.72
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		4 ALA A 320
LYS A 286
THR A 215
THR A 311
 None
 1.45A 4z4cA-5cjuA:
2.1		 4z4cA-5cjuA:
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.
5czr CADHERIN-RELATED
FAMILY MEMBER 2

(Homo sapiens) 		PF00028
(Cadherin) 		4 ASP A  99
ALA A 136
THR A 198
TYR A 193
 CA  A1002 ( 2.7A)
CA  A1004 (-4.4A)
None
None
 1.35A 4z4cA-5czrA:
undetectable		 4z4cA-5czrA:
14.47
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.
5dzs SHIKIMATE
DEHYDROGENASE
(NADP(+))

(Clostridioides
difficile) 		PF08501
(Shikimate_dh_N) 		4 ASP A 101
ALA A  79
THR A 100
THR A  87
 None
 1.44A 4z4cA-5dzsA:
5.2		 4z4cA-5dzsA:
16.45
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		4 ASP A  89
ALA A 161
THR A 134
THR A 135
 None
 1.48A 4z4cA-5ey8A:
2.2		 4z4cA-5ey8A:
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.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 ASP A 529
ALA A 485
THR A 483
THR A 496
 None
 1.48A 4z4cA-5f75A:
undetectable		 4z4cA-5f75A:
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.
5gzs GGDEF FAMILY PROTEIN

(Vibrio cholerae) 		PF00497
(SBP_bac_3) 		4 ALA A 100
THR A  55
THR A  62
TYR A  79
 None
 1.48A 4z4cA-5gzsA:
undetectable		 4z4cA-5gzsA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		4 ALA A 450
THR A 719
THR A 721
TYR A 743
 None
 1.34A 4z4cA-5hlbA:
undetectable		 4z4cA-5hlbA:
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.
5hra ASPARTATE/GLUTAMATE
RACEMASE

(Escherichia
coli) 		PF01177
(Asp_Glu_race) 		4 LYS A  88
THR A 125
THR A  85
TYR A 127
 None
DAS  A 301 ( 4.1A)
DAS  A 301 (-3.7A)
None
 1.45A 4z4cA-5hraA:
2.2		 4z4cA-5hraA:
15.56
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.
5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodoferax
ferrireducens) 		PF03480
(DctP) 		4 ASP A  80
ALA A  76
THR A  92
TYR A  79
 None
 1.16A 4z4cA-5im2A:
undetectable		 4z4cA-5im2A:
18.00
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.
5jp0 BETA-GLUCOSIDASE
BOGH3B

(Bacteroides
ovatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ALA A 173
LYS A 104
THR A 136
THR A 139
 None
 1.15A 4z4cA-5jp0A:
3.4		 4z4cA-5jp0A:
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.
5jrj PROTEIN RECA

(Herbaspirillum
seropedicae) 		PF00154
(RecA) 		4 ASP A 146
ALA A 144
THR A 194
THR A 192
 None
 1.30A 4z4cA-5jrjA:
undetectable		 4z4cA-5jrjA:
18.79
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 4 ASP A 516
ALA A 507
LYS A 533
THR A 528
 None
 1.27A 4z4cA-5jtaA:
undetectable		 4z4cA-5jtaA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l8s AMINO ACYL PEPTIDASE

(Sporosarcina
psychrophila) 		PF00326
(Peptidase_S9) 		4 ASP A 369
LYS A 451
THR A 402
THR A 373
 SO4  A 701 (-3.7A)
None
SO4  A 701 ( 4.9A)
None
 1.26A 4z4cA-5l8sA:
2.2		 4z4cA-5l8sA:
21.86
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.
5min QUINOPROTEIN GLUCOSE
DEHYDROGENASE B

(Acinetobacter
calcoaceticus) 		no annotation 4 ALA A 269
THR A 323
THR A 326
TYR A 271
 CA  A 502 (-4.6A)
None
None
None
 1.30A 4z4cA-5minA:
undetectable		 4z4cA-5minA:
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.
5oex -

(-) 		no annotation 4 ASP A 529
ALA A 485
THR A 483
THR A 496
 None
None
CU  A 604 ( 4.8A)
None
 1.43A 4z4cA-5oexA:
undetectable		 4z4cA-5oexA:
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.
5swv PENTAFUNCTIONAL AROM
POLYPEPTIDE

(Schizosaccharomyces
pombe) 		PF01487
(DHquinase_I)
PF08501
(Shikimate_dh_N) 		4 ASP C1395
ALA C1369
THR C1394
THR C1377
 None
 1.44A 4z4cA-5swvC:
undetectable		 4z4cA-5swvC:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 5 ASP A 538
ALA A 544
LYS A 571
THR A 853
THR A 856
 None
None
A  B   1 ( 2.9A)
None
None
 0.70A 4z4cA-5vm9A:
55.3		 4z4cA-5vm9A:
79.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 5 ASP A 538
ALA A 544
LYS A 571
THR A 856
TYR A 858
 None
None
A  B   1 ( 2.9A)
None
None
 0.66A 4z4cA-5vm9A:
55.3		 4z4cA-5vm9A:
79.75
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 5 ASP A 537
ALA A 543
LYS A 570
THR A 852
TYR A 857
 None
None
A  B   1 ( 4.0A)
None
None
 0.67A 4z4cA-5weaA:
58.5		 4z4cA-5weaA:
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 4 ASP A 537
ALA A 543
LYS A 570
THR A 855
 None
None
A  B   1 ( 4.0A)
None
 1.22A 4z4cA-5weaA:
58.5		 4z4cA-5weaA:
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.
5wtf VP1

(Hepatovirus A) 		PF12944
(HAV_VP) 		4 ASP A  57
ALA A  61
THR A  54
THR A  53
 None
 1.35A 4z4cA-5wtfA:
undetectable		 4z4cA-5wtfA:
13.79
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.
5xmd EPOXIDE HYDROLASE A

(Vigna radiata) 		no annotation 4 ASP A 261
ALA A 297
THR A 267
TYR A 266
 None
 1.49A 4z4cA-5xmdA:
undetectable		 4z4cA-5xmdA:
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.
5xyi GUANINE
NUCLEOTIDE-BINDING
PROTEIN BETA
SUBUNIT, PUTATIVE

(Trichomonas
vaginalis) 		no annotation 4 ASP g 324
ALA g  35
THR g 307
TYR g 322
 None
 1.35A 4z4cA-5xyig:
undetectable		 4z4cA-5xyig:
17.21
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 4 ASP A 193
ALA A 263
THR A 405
TYR A 418
 CA  A 801 (-2.2A)
None
None
None
 1.44A 4z4cA-5yl7A:
2.8		 4z4cA-5yl7A:
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.
6bfi VIN1

(Oscarella
pearsei) 		no annotation 4 ASP A 789
ALA A 778
LYS A 719
THR A 709
 None
 1.38A 4z4cA-6bfiA:
undetectable		 4z4cA-6bfiA:
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.
6c7v -

(-) 		no annotation 4 LYS A 146
THR A 104
THR A 142
TYR A 143
 None
 1.47A 4z4cA-6c7vA:
undetectable		 4z4cA-6c7vA:
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASP A 461
ALA A 398
THR A 425
TYR A 396
 None
 0.96A 4z4cA-6f91A:
undetectable		 4z4cA-6f91A:
undetectable