SIMILAR PATTERNS OF AMINO ACIDS FOR 6HCO_A_FY5A1003_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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ASN A 419
THR A 283
PHE A 510
THR A 399
ILE A 400
 None
 1.45A 6hcoA-1b0kA:
0.0
6hcoB-1b0kA:
0.0		 6hcoA-1b0kA:
21.76
6hcoB-1b0kA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f26 NITRIC OXIDE
REDUCTASE

(Fusarium
oxysporum) 		PF00067
(p450) 		5 PHE A 366
VAL A 252
PHE A 144
ILE A 117
VAL A 121
 None
 1.42A 6hcoA-1f26A:
undetectable
6hcoB-1f26A:
0.0		 6hcoA-1f26A:
19.94
6hcoB-1f26A:
19.94
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.
1fez PHOSPHONOACETALDEHYD
E HYDROLASE

(Bacillus cereus) 		PF13419
(HAD_2) 		5 THR A 187
PHE A 237
THR A 245
ILE A 246
VAL A 204
 MG  A 801 ( 4.2A)
None
None
None
None
 1.45A 6hcoA-1fezA:
0.0
6hcoB-1fezA:
0.0		 6hcoA-1fezA:
16.92
6hcoB-1fezA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 PHE A 501
VAL A  36
PHE A 577
ILE A 529
VAL A 546
 None
 1.47A 6hcoA-1flgA:
0.0
6hcoB-1flgA:
0.0		 6hcoA-1flgA:
21.83
6hcoB-1flgA:
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.
1gzs SOPE

(Salmonella
enterica) 		PF07487
(SopE_GEF) 		5 ASN B 170
THR B 220
PHE B 213
ILE B  96
VAL B 209
 None
 1.45A 6hcoA-1gzsB:
0.8
6hcoB-1gzsB:
0.8		 6hcoA-1gzsB:
13.75
6hcoB-1gzsB:
13.75
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.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 THR A 564
VAL A 435
PHE A 511
THR A 554
ILE A 555
 None
 1.42A 6hcoA-1ikpA:
0.0
6hcoB-1ikpA:
0.0		 6hcoA-1ikpA:
22.19
6hcoB-1ikpA:
22.19
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.
1lth L-LACTATE
DEHYDROGENASE (T-
AND R- STATE
TETRAMER COMPLEX)

(Bifidobacterium
longum) 		no annotation 5 VAL T 127
THR T 150
THR T 280
ILE T 291
VAL T 278
 None
 1.46A 6hcoA-1lthT:
0.0
6hcoB-1lthT:
0.0		 6hcoA-1lthT:
19.70
6hcoB-1lthT:
19.70
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.
1p22 F-BOX/WD-REPEAT
PROTEIN 1A
SKP1

(Homo sapiens;
Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like)
PF01466
(Skp1)
PF03931
(Skp1_POZ) 		5 VAL A 175
THR B 117
PHE B 118
ILE B  83
VAL B 102
 None
 1.21A 6hcoA-1p22A:
0.0
6hcoB-1p22A:
0.0		 6hcoA-1p22A:
20.99
6hcoB-1p22A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		5 THR A 322
VAL A 319
PHE A 269
THR A 284
ILE A 235
 None
 0.84A 6hcoA-1q5aA:
undetectable
6hcoB-1q5aA:
undetectable		 6hcoA-1q5aA:
20.95
6hcoB-1q5aA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aqw PUTATIVE
OROTIDINE-MONOPHOSPH
ATE-DECARBOXYLASE

(Plasmodium
yoelii) 		PF00215
(OMPdecase) 		5 ASN A  87
THR A 136
PHE A 126
ILE A 119
MET A 106
 None
 1.50A 6hcoA-2aqwA:
1.4
6hcoB-2aqwA:
undetectable		 6hcoA-2aqwA:
17.80
6hcoB-2aqwA:
17.80
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.
2ep5 350AA LONG
HYPOTHETICAL
ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 VAL A 117
THR A 337
ILE A 338
VAL A 341
MET A 344
 None
 1.36A 6hcoA-2ep5A:
undetectable
6hcoB-2ep5A:
undetectable		 6hcoA-2ep5A:
20.47
6hcoB-2ep5A:
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.
2f66 SUPPRESSOR PROTEIN
STP22 OF
TEMPERATURE-SENSITIV
E ALPHA-FACTOR
RECEPTOR AND
ARGININE PERMEASE
PROTEIN SRN2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF09454
(Vps23_core)
PF07200
(Mod_r) 		5 THR C 172
PHE C 184
THR A 341
ILE A 342
MET A 348
 None
 1.43A 6hcoA-2f66C:
2.5
6hcoB-2f66C:
undetectable		 6hcoA-2f66C:
7.77
6hcoB-2f66C:
7.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 PHE A 421
VAL A 427
PHE A 383
THR A 381
VAL A 398
 None
 1.44A 6hcoA-2gaiA:
undetectable
6hcoB-2gaiA:
1.3		 6hcoA-2gaiA:
22.31
6hcoB-2gaiA:
22.31
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 THR A 336
PHE A  55
VAL A 317
THR A 372
ILE A 373
 None
 1.44A 6hcoA-2p50A:
undetectable
6hcoB-2p50A:
1.3		 6hcoA-2p50A:
21.43
6hcoB-2p50A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		5 ASN A  38
PHE A  39
VAL A 265
THR A 135
ILE A 137
 KDF  A1314 ( 4.2A)
None
None
None
KDG  A1313 ( 3.3A)
 1.30A 6hcoA-2varA:
undetectable
6hcoB-2varA:
undetectable		 6hcoA-2varA:
19.64
6hcoB-2varA:
19.64
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.
2vdt LEVANSUCRASE

(Bacillus
subtilis) 		PF02435
(Glyco_hydro_68) 		5 THR A 456
ASN A 450
VAL A 380
PHE A 347
VAL A 424
 None
 1.41A 6hcoA-2vdtA:
undetectable
6hcoB-2vdtA:
undetectable		 6hcoA-2vdtA:
22.53
6hcoB-2vdtA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpv PROTEIN MIF2

(Saccharomyces
cerevisiae) 		PF11699
(CENP-C_C) 		5 PHE A 494
VAL A 489
THR A 501
VAL A 480
MET A 522
 None
 1.46A 6hcoA-2vpvA:
undetectable
6hcoB-2vpvA:
undetectable		 6hcoA-2vpvA:
13.55
6hcoB-2vpvA:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w7z PENTAPEPTIDE REPEAT
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF13599
(Pentapeptide_4) 		5 THR A 102
ASN A 103
PHE A 104
THR A 137
PHE A 134
 None
 1.47A 6hcoA-2w7zA:
undetectable
6hcoB-2w7zA:
undetectable		 6hcoA-2w7zA:
15.34
6hcoB-2w7zA:
15.34
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 THR A 722
ASN A 721
PHE A 768
VAL A 772
PHE A 712
 None
 1.49A 6hcoA-3ak5A:
undetectable
6hcoB-3ak5A:
undetectable		 6hcoA-3ak5A:
22.74
6hcoB-3ak5A:
22.74
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.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		6 PHE A 271
VAL A 107
THR A 160
THR A 164
ILE A 165
VAL A 207
 None
GOL  A 501 ( 4.2A)
GOL  A 501 (-3.8A)
None
None
None
 1.42A 6hcoA-3cz8A:
0.7
6hcoB-3cz8A:
2.1		 6hcoA-3cz8A:
19.10
6hcoB-3cz8A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 THR A 151
VAL A  91
MET A  93
THR A 253
ILE A 252
 None
None
ZN  A 423 ( 4.8A)
None
None
 1.16A 6hcoA-3d6nA:
undetectable
6hcoB-3d6nA:
1.2		 6hcoA-3d6nA:
22.52
6hcoB-3d6nA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6t ASPARTATE
AMINOTRANSFERASE

(Lactobacillus
acidophilus) 		PF00155
(Aminotran_1_2) 		5 THR A 304
VAL A 299
PHE A 260
ILE A 197
VAL A 249
 None
 1.30A 6hcoA-3f6tA:
undetectable
6hcoB-3f6tA:
1.2		 6hcoA-3f6tA:
23.75
6hcoB-3f6tA:
23.75
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		5 THR A 201
THR A  81
THR A 155
VAL A 159
MET A 162
 None
 1.30A 6hcoA-3humA:
undetectable
6hcoB-3humA:
undetectable		 6hcoA-3humA:
21.33
6hcoB-3humA:
21.33
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.
3i7a PUTATIVE
METAL-DEPENDENT
PHOSPHOHYDROLASE

(Shewanella
amazonensis) 		PF08668
(HDOD) 		5 ASN A 157
VAL A 205
THR A  95
ILE A 122
MET A  99
 None
 1.26A 6hcoA-3i7aA:
0.6
6hcoB-3i7aA:
undetectable		 6hcoA-3i7aA:
19.21
6hcoB-3i7aA:
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 MET A 175
THR A 169
ILE A 221
VAL A 188
MET A 194
 None
None
None
GOL  A 308 (-4.2A)
None
 1.26A 6hcoA-3kl7A:
undetectable
6hcoB-3kl7A:
undetectable		 6hcoA-3kl7A:
16.36
6hcoB-3kl7A:
16.36
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 THR A 169
VAL A 188
MET A 194
ILE A 155
MET A 175
 None
GOL  A 308 (-4.2A)
None
GOL  A 305 (-4.9A)
None
 1.19A 6hcoA-3kl7A:
undetectable
6hcoB-3kl7A:
undetectable		 6hcoA-3kl7A:
16.36
6hcoB-3kl7A:
16.36
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.
3kl9 GLUTAMYL
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF05343
(Peptidase_M42) 		5 THR A 308
VAL A 235
THR A 254
PHE A 335
THR A 276
 None
 1.26A 6hcoA-3kl9A:
undetectable
6hcoB-3kl9A:
undetectable		 6hcoA-3kl9A:
21.19
6hcoB-3kl9A:
21.19
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.
3l0g NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Ehrlichia
chaffeensis) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 THR A 129
VAL A 144
PHE A 115
ILE A 247
VAL A 239
 EDO  A 300 (-4.2A)
None
None
None
None
 1.41A 6hcoA-3l0gA:
undetectable
6hcoB-3l0gA:
undetectable		 6hcoA-3l0gA:
19.30
6hcoB-3l0gA:
19.30
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.
3lpx DNA GYRASE, A
SUBUNIT

(Colwellia
psychrerythraea) 		PF00521
(DNA_topoisoIV) 		5 THR A  88
VAL A 103
MET A  92
ILE A  74
VAL A  73
 None
 1.45A 6hcoA-3lpxA:
undetectable
6hcoB-3lpxA:
undetectable		 6hcoA-3lpxA:
21.25
6hcoB-3lpxA:
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 THR A 382
ASN A 383
VAL A 513
MET A 510
ILE A 415
 None
 1.44A 6hcoA-3lvvA:
undetectable
6hcoB-3lvvA:
undetectable		 6hcoA-3lvvA:
20.41
6hcoB-3lvvA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mep UNCHARACTERIZED
PROTEIN ECA2234

(Pectobacterium
atrosepticum) 		PF07081
(DUF1349) 		5 PHE A  39
VAL A  54
MET A 169
THR A 110
VAL A 108
 None
 1.31A 6hcoA-3mepA:
undetectable
6hcoB-3mepA:
undetectable		 6hcoA-3mepA:
13.51
6hcoB-3mepA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		5 PHE A 225
THR A 173
THR A 391
ILE A 395
VAL A 168
 None
 1.49A 6hcoA-3msuA:
undetectable
6hcoB-3msuA:
0.4		 6hcoA-3msuA:
20.75
6hcoB-3msuA:
20.75
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.
3mwy CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF00385
(Chromo) 		5 PHE W 765
THR W 782
PHE W 757
ILE W 716
VAL W 714
 None
 1.34A 6hcoA-3mwyW:
2.7
6hcoB-3mwyW:
2.6		 6hcoA-3mwyW:
22.28
6hcoB-3mwyW:
22.28
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 ASN A 218
PHE A  56
VAL A  42
PHE A 198
ILE A 215
 None
 1.45A 6hcoA-3n71A:
undetectable
6hcoB-3n71A:
undetectable		 6hcoA-3n71A:
22.17
6hcoB-3n71A:
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.
3nra ASPARTATE
AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00155
(Aminotran_1_2) 		5 THR A 246
PHE A 265
ILE A 106
VAL A 263
MET A 248
 None
 1.48A 6hcoA-3nraA:
undetectable
6hcoB-3nraA:
0.4		 6hcoA-3nraA:
20.83
6hcoB-3nraA:
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.
3qz5 CO-TYPE NITRILE
HYDRATASE ALPHA
SUBUNIT

(Pseudomonas
putida) 		PF02979
(NHase_alpha) 		5 ASN A 102
VAL A  98
THR A 165
ILE A 160
VAL A 109
 None
 1.49A 6hcoA-3qz5A:
undetectable
6hcoB-3qz5A:
undetectable		 6hcoA-3qz5A:
15.02
6hcoB-3qz5A:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 PHE A 151
VAL A 124
MET A 121
ILE A 199
VAL A  63
 None
 1.42A 6hcoA-3tijA:
1.2
6hcoB-3tijA:
undetectable		 6hcoA-3tijA:
23.29
6hcoB-3tijA:
23.29
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.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 VAL A  63
PHE A 151
ILE A 127
VAL A 124
MET A 121
 None
 1.38A 6hcoA-3tijA:
1.2
6hcoB-3tijA:
undetectable		 6hcoA-3tijA:
23.29
6hcoB-3tijA:
23.29
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.
3tji MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Enterobacter
sp. 638) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A 342
ASN A 343
PHE A 346
THR A  39
VAL A 317
 None
 1.33A 6hcoA-3tjiA:
undetectable
6hcoB-3tjiA:
undetectable		 6hcoA-3tjiA:
21.06
6hcoB-3tjiA:
21.06
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.
4a73 L-LACTATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 146
VAL A 285
THR A 165
ILE A 166
VAL A 271
 None
 1.40A 6hcoA-4a73A:
undetectable
6hcoB-4a73A:
undetectable		 6hcoA-4a73A:
18.88
6hcoB-4a73A:
18.88
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.
4aoa BETA-PHENYLALANINE
AMINOTRANSFERASE

(Variovorax
paradoxus) 		PF00202
(Aminotran_3) 		5 PHE A 179
VAL A 175
THR A 141
ILE A 201
VAL A 203
 None
 1.37A 6hcoA-4aoaA:
undetectable
6hcoB-4aoaA:
undetectable		 6hcoA-4aoaA:
21.49
6hcoB-4aoaA:
21.49
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.
4b16 CHITINASE LIKE
LECTIN

(Tamarindus
indica) 		PF00704
(Glyco_hydro_18) 		5 ASN A 237
PHE A 250
ILE A  10
VAL A 253
MET A 219
 None
 1.28A 6hcoA-4b16A:
undetectable
6hcoB-4b16A:
undetectable		 6hcoA-4b16A:
18.05
6hcoB-4b16A:
18.05
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.
4czx PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		no annotation 5 PHE A 290
VAL A 259
THR A 281
THR A 308
VAL A 310
 None
 1.45A 6hcoA-4czxA:
undetectable
6hcoB-4czxA:
undetectable		 6hcoA-4czxA:
18.36
6hcoB-4czxA:
18.36
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.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		5 THR A 149
VAL A 153
MET A 151
THR A 105
ILE A  87
 None
None
None
5RP  A 402 (-3.9A)
None
 1.37A 6hcoA-4ex9A:
undetectable
6hcoB-4ex9A:
undetectable		 6hcoA-4ex9A:
20.09
6hcoB-4ex9A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ASN A 365
VAL A 360
THR A 321
THR A 384
VAL A 382
 None
 1.32A 6hcoA-4fysA:
undetectable
6hcoB-4fysA:
undetectable		 6hcoA-4fysA:
21.66
6hcoB-4fysA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 THR A  53
VAL A  20
PHE A 263
ILE A 222
VAL A 175
 None
 1.44A 6hcoA-4jipA:
0.5
6hcoB-4jipA:
undetectable		 6hcoA-4jipA:
20.21
6hcoB-4jipA:
20.21
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.
4kp2 HOMOACONITASE LARGE
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 THR A   2
THR A 218
PHE A 129
ILE A  22
VAL A 151
 None
 1.09A 6hcoA-4kp2A:
undetectable
6hcoB-4kp2A:
undetectable		 6hcoA-4kp2A:
20.67
6hcoB-4kp2A:
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A 282
VAL A 306
THR A 381
ILE A 382
VAL A 444
 None
 1.29A 6hcoA-4oqjA:
1.5
6hcoB-4oqjA:
0.0		 6hcoA-4oqjA:
21.39
6hcoB-4oqjA:
21.39
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.
4qi8 LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		5 PHE A   4
VAL A  70
THR A  63
ILE A  62
VAL A 125
 None
 1.19A 6hcoA-4qi8A:
undetectable
6hcoB-4qi8A:
undetectable		 6hcoA-4qi8A:
15.02
6hcoB-4qi8A:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 5 THR A 800
PHE A 798
THR A 675
THR A 690
ILE A 669
 None
 1.35A 6hcoA-4rmxA:
undetectable
6hcoB-4rmxA:
undetectable		 6hcoA-4rmxA:
20.93
6hcoB-4rmxA:
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.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis) 		PF11477
(PM0188) 		5 VAL A 362
MET A 365
THR A 238
ILE A 236
VAL A 323
 None
 1.30A 6hcoA-4v39A:
undetectable
6hcoB-4v39A:
undetectable		 6hcoA-4v39A:
22.02
6hcoB-4v39A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w8l ENDO-1,4-BETA-XYLANA
SE C

(Paenibacillus
barcinonensis) 		PF00331
(Glyco_hydro_10) 		5 THR A 421
VAL A 428
MET A 388
ILE A 477
VAL A 476
 None
 1.34A 6hcoA-4w8lA:
1.8
6hcoB-4w8lA:
1.0		 6hcoA-4w8lA:
20.31
6hcoB-4w8lA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 ASN A1018
MET A1068
THR A1138
ILE A1136
VAL A1140
 None
 1.38A 6hcoA-4xqkA:
2.0
6hcoB-4xqkA:
4.4		 6hcoA-4xqkA:
18.19
6hcoB-4xqkA:
18.19
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.
4z5y COENZYME PQQ
SYNTHESIS PROTEIN B

(Pseudomonas
putida) 		PF12706
(Lactamase_B_2) 		5 THR A  94
ASN A  55
THR A 119
THR A 111
ILE A 140
 None
 1.43A 6hcoA-4z5yA:
undetectable
6hcoB-4z5yA:
undetectable		 6hcoA-4z5yA:
18.50
6hcoB-4z5yA:
18.50
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.
4zgd NITRILE HYDRATASE
ALPHA SUBUNIT

(Comamonas
testosteroni) 		PF02979
(NHase_alpha) 		5 ASN A  89
VAL A  85
THR A 152
ILE A 147
VAL A  96
 None
 1.48A 6hcoA-4zgdA:
undetectable
6hcoB-4zgdA:
undetectable		 6hcoA-4zgdA:
12.98
6hcoB-4zgdA:
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 THR A 350
THR A 366
THR A 330
ILE A 361
VAL A 363
 None
 1.24A 6hcoA-4zxlA:
undetectable
6hcoB-4zxlA:
0.7		 6hcoA-4zxlA:
22.43
6hcoB-4zxlA:
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.
5a4j FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		5 VAL A 269
PHE A 132
ILE A 198
VAL A 200
MET A 205
 None
 1.38A 6hcoA-5a4jA:
undetectable
6hcoB-5a4jA:
1.1		 6hcoA-5a4jA:
22.96
6hcoB-5a4jA:
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.
5b23 UNCHARACTERIZED
PROTEIN SORTASE B

(Clostridium
perfringens) 		PF04203
(Sortase) 		5 THR A 231
ASN A 137
PHE A 144
VAL A 133
THR A  87
 None
 1.38A 6hcoA-5b23A:
undetectable
6hcoB-5b23A:
undetectable		 6hcoA-5b23A:
15.85
6hcoB-5b23A:
15.85
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.
5b4s CHITOSANASE

(Mitsuaria
chitosanitabida) 		PF13647
(Glyco_hydro_80) 		5 THR A 209
VAL A 181
THR A 241
ILE A 245
MET A 308
 None
 1.44A 6hcoA-5b4sA:
undetectable
6hcoB-5b4sA:
undetectable		 6hcoA-5b4sA:
18.93
6hcoB-5b4sA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5en2 PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Argentinian
mammarenavirus) 		no annotation 5 PHE C 148
VAL C 152
MET C 196
THR C 179
ILE C 174
 None
 1.42A 6hcoA-5en2C:
undetectable
6hcoB-5en2C:
undetectable		 6hcoA-5en2C:
11.79
6hcoB-5en2C:
11.79
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.
5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		PF00180
(Iso_dh) 		5 THR A   8
VAL A  41
THR A  90
ILE A 251
VAL A 256
 None
 1.39A 6hcoA-5griA:
1.9
6hcoB-5griA:
1.9		 6hcoA-5griA:
21.18
6hcoB-5griA:
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.
5im5 DESIGNED
KETO-HYDROXYGLUTARAT
E-ALDOLASE/KETO-DEOX
Y-PHOSPHOGLUCONATE
ALDOLASE

(Vibrionales
bacterium
SWAT-3) 		no annotation 5 THR P 157
PHE P 131
THR P  43
ILE P 107
VAL P  88
 None
 1.21A 6hcoA-5im5P:
undetectable
6hcoB-5im5P:
undetectable		 6hcoA-5im5P:
15.69
6hcoB-5im5P:
15.69
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.
5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1)
PF00301
(Rubredoxin)
PF00753
(Lactamase_B) 		5 ASN A   7
VAL A  46
THR A 154
PHE A 163
VAL A 161
 None
 1.42A 6hcoA-5lmcA:
undetectable
6hcoB-5lmcA:
undetectable		 6hcoA-5lmcA:
21.21
6hcoB-5lmcA:
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 5 ASN A 395
THR A 422
THR A 455
ILE A 456
VAL A 417
 None
 1.23A 6hcoA-5ng6A:
undetectable
6hcoB-5ng6A:
undetectable		 6hcoA-5ng6A:
19.66
6hcoB-5ng6A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ubv ATPASE DOMAIN OF
I-AAA PROTEASE

(Thermothelomyces
thermophila) 		no annotation 5 ASN A  92
PHE A  91
MET A  70
THR A 125
THR A 131
 None
 1.47A 6hcoA-5ubvA:
3.1
6hcoB-5ubvA:
3.3		 6hcoA-5ubvA:
undetectable
6hcoB-5ubvA:
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.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A 212
ASN A 236
VAL A 135
THR A  58
PHE A 419
 NAD  A 501 ( 4.1A)
None
None
SAH  A 502 (-4.2A)
SAH  A 502 (-4.8A)
 1.36A 6hcoA-5utuA:
undetectable
6hcoB-5utuA:
undetectable		 6hcoA-5utuA:
21.80
6hcoB-5utuA:
21.80
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.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A 198
ASN A 222
VAL A 134
THR A  64
PHE A 404
 NAD  A 501 ( 2.9A)
NAD  A 501 ( 4.7A)
None
ADN  A 502 (-4.4A)
ADN  A 502 (-4.9A)
 1.49A 6hcoA-5v96A:
undetectable
6hcoB-5v96A:
undetectable		 6hcoA-5v96A:
21.68
6hcoB-5v96A:
21.68
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.
5vkp POTASSIUM CHANNEL
SUBFAMILY K MEMBER 2

(Mus musculus) 		PF07885
(Ion_trans_2) 		5 PHE A 134
VAL A 258
THR A 141
ILE A 140
VAL A 139
 Q5F  A 404 (-3.7A)
None
Q5F  A 404 ( 3.9A)
None
None
 1.36A 6hcoA-5vkpA:
undetectable
6hcoB-5vkpA:
undetectable		 6hcoA-5vkpA:
18.95
6hcoB-5vkpA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 5 VAL A 498
MET A 532
THR A 543
ILE A 454
VAL A 482
 None
 1.35A 6hcoA-5wm4A:
undetectable
6hcoB-5wm4A:
undetectable		 6hcoA-5wm4A:
undetectable
6hcoB-5wm4A:
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.
5y79 PUTATIVE HEXOSE
PHOSPHATE
TRANSLOCATOR

(Galdieria
sulphuraria) 		PF03151
(TPT) 		5 THR A 387
VAL A 238
THR A 360
ILE A 361
VAL A 364
 OLC  A 505 (-3.8A)
OLC  A 501 ( 4.4A)
None
None
OLC  A 505 ( 4.2A)
 1.06A 6hcoA-5y79A:
undetectable
6hcoB-5y79A:
undetectable		 6hcoA-5y79A:
19.46
6hcoB-5y79A:
19.46
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 5 PHE A 439
THR A 542
ILE A 543
VAL A 546
MET A 549
 BWQ  A1101 (-4.0A)
None
None
None
BWQ  A1101 (-4.1A)
 0.74A 6hcoA-6etiA:
46.6
6hcoB-6etiA:
46.6		 6hcoA-6etiA:
undetectable
6hcoB-6etiA:
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 5 THR A 435
PHE A 439
THR A 542
ILE A 543
VAL A 546
 BWQ  A1101 (-4.3A)
BWQ  A1101 (-4.0A)
None
None
None
 0.54A 6hcoA-6etiA:
46.6
6hcoB-6etiA:
46.6		 6hcoA-6etiA:
undetectable
6hcoB-6etiA:
undetectable