SIMILAR PATTERNS OF AMINO ACIDS FOR 2HW2_A_RFPA1200

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.
1br2 MYOSIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 PHE A 332
ALA A 233
GLY A 235
THR A 335
LEU A 624
 None
 1.02A 2hw2A-1br2A:
0.0		 2hw2A-1br2A:
10.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 GLY A 101
SER A  75
GLY A 170
LEU A 171
LEU A 174
 NAI  A1306 (-3.6A)
NAI  A1306 (-3.2A)
None
None
None
 0.92A 2hw2A-1gz6A:
0.0		 2hw2A-1gz6A:
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.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I

(Salmonella
enterica) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 ALA A 452
GLY A 450
THR A 464
SER A 311
GLY A 157
 None
 1.02A 2hw2A-1i1qA:
0.0		 2hw2A-1i1qA:
15.01
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.
1i8q HYALURONATE LYASE

(Streptococcus
agalactiae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 ALA A 645
GLY A 643
MET A 895
GLY A 840
LEU A 830
 None
 0.94A 2hw2A-1i8qA:
0.4		 2hw2A-1i8qA:
11.23
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 PHE A 335
ALA A 235
GLY A 237
THR A 338
LEU A 622
 None
 0.99A 2hw2A-1jx2A:
0.0		 2hw2A-1jx2A:
9.55
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
THR A  32
SER A  34
LEU A  68
LEU A  62
 SAH  A1900 (-3.1A)
SAH  A1900 (-4.1A)
SAH  A1900 ( 3.6A)
None
None
 0.97A 2hw2A-1kphA:
0.0		 2hw2A-1kphA:
19.71
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.
1l1e MYCOLIC ACID
SYNTHASE

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
THR A  32
SER A  34
LEU A  68
LEU A  62
 SAH  A 900 (-3.1A)
SAH  A 900 (-4.1A)
SAH  A 900 ( 2.7A)
None
None
 0.99A 2hw2A-1l1eA:
0.0		 2hw2A-1l1eA:
18.73
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.
1pm2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
BETA CHAIN

(Escherichia
coli) 		PF00268
(Ribonuc_red_sm) 		5 GLY A  20
THR A 164
MET A 261
LEU A 252
LEU A 249
 None
 0.94A 2hw2A-1pm2A:
undetectable		 2hw2A-1pm2A:
18.63
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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ALA A 608
GLY A 639
GLY A 595
LEU A 594
LEU A 597
 None
 1.08A 2hw2A-1po0A:
0.0		 2hw2A-1po0A:
12.47
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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		5 ALA A  74
GLY A  70
GLY A  61
LEU A  44
LEU A  60
 None
 1.08A 2hw2A-1tf1A:
undetectable		 2hw2A-1tf1A:
24.10
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.
1u7w COENZYME A
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
COABC

(Escherichia
coli) 		PF04127
(DFP) 		6 ALA A 328
GLY A 326
MET A 216
GLY A 389
LEU A 392
LEU A 391
 CTP  A 500 ( 4.0A)
CTP  A 500 (-3.6A)
None
None
None
None
 1.33A 2hw2A-1u7wA:
undetectable		 2hw2A-1u7wA:
21.72
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.
1usc PUTATIVE STYRENE
MONOOXYGENASE SMALL
COMPONENT

(Thermus
thermophilus) 		PF01613
(Flavin_Reduct) 		5 PHE A  70
GLY A  51
GLY A  62
LEU A  64
LEU A  63
 None
 1.06A 2hw2A-1uscA:
undetectable		 2hw2A-1uscA:
20.63
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.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE

(Zea mays) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ALA A 867
MET A 528
GLY A 525
LEU A 524
LEU A 520
 None
 1.05A 2hw2A-1vbgA:
undetectable		 2hw2A-1vbgA:
10.05
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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		5 ALA A 222
GLY A 224
MET A 175
LEU A 180
LEU A 183
 None
 0.85A 2hw2A-1zkjA:
undetectable		 2hw2A-1zkjA:
18.11
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.
2bs4 QUINOL-FUMARATE
REDUCTASE DIHEME
CYTOCHROME B SUBUNIT
C

(Wolinella
succinogenes) 		PF01127
(Sdh_cyt) 		5 PHE C  85
GLY C  43
GLY C 186
LEU C 187
LEU C 190
 None
None
HEM  C1255 (-3.4A)
HEM  C1255 (-4.8A)
HEM  C1255 (-4.2A)
 1.07A 2hw2A-2bs4C:
undetectable		 2hw2A-2bs4C:
19.68
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.
2d07 G/T
MISMATCH-SPECIFIC
THYMINE DNA
GLYCOSYLASE

(Homo sapiens) 		PF03167
(UDG) 		5 ALA A 146
GLY A 149
THR A 196
GLY A 188
LEU A 128
 None
 1.01A 2hw2A-2d07A:
undetectable		 2hw2A-2d07A:
19.48
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.
2ew2 2-DEHYDROPANTOATE
2-REDUCTASE,
PUTATIVE

(Enterococcus
faecalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ALA A  10
GLY A  12
MET A  18
GLY A 172
LEU A 173
 None
 1.03A 2hw2A-2ew2A:
undetectable		 2hw2A-2ew2A:
21.29
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.
2f8m RIBOSE 5-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF06026
(Rib_5-P_isom_A) 		5 ALA A 102
GLY A 100
THR A  55
SER A  56
GLY A 120
 None
 1.07A 2hw2A-2f8mA:
undetectable		 2hw2A-2f8mA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 ALA B 467
THR B 524
MET B 616
GLY B 618
LEU B 620
 None
 1.08A 2hw2A-2fffB:
undetectable		 2hw2A-2fffB:
14.93
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.
2g2x HYPOTHETICAL PROTEIN
PP5205

(Pseudomonas
putida) 		PF01878
(EVE) 		5 THR A  74
SER A  80
GLY A  22
LEU A  21
LEU A  18
 None
 1.05A 2hw2A-2g2xA:
undetectable		 2hw2A-2g2xA:
25.00
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		5 ALA A 233
GLY A 408
GLY A 244
LEU A 245
LEU A 248
 None
 0.64A 2hw2A-2ijzA:
undetectable		 2hw2A-2ijzA:
17.02
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.
2jjf L-LYSINE EPSILON
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 ALA A 390
GLY A 384
THR A 420
GLY A 204
LEU A 205
 None
 1.02A 2hw2A-2jjfA:
undetectable		 2hw2A-2jjfA:
17.70
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.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 GLY A 371
SER A 334
MET A 278
LEU A 229
LEU A 226
 None
 1.09A 2hw2A-2p8uA:
undetectable		 2hw2A-2p8uA:
14.85
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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Arabidopsis
thaliana) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 PHE A  42
GLY A 345
GLY A 334
LEU A 337
LEU A  35
 None
 1.06A 2hw2A-2q49A:
undetectable		 2hw2A-2q49A:
18.77
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.
2q7t PROTEIN TRAI

(Escherichia
coli) 		PF08751
(TrwC) 		5 GLY A 170
THR A 136
GLY A  58
LEU A  60
LEU A  55
 None
 1.00A 2hw2A-2q7tA:
undetectable		 2hw2A-2q7tA:
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.
2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Novosphingobium
aromaticivorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 371
MET A  91
GLY A 291
LEU A 292
LEU A 295
 None
 1.07A 2hw2A-2qjjA:
undetectable		 2hw2A-2qjjA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens) 		PF00144
(Beta-lactamase) 		5 ALA A 221
GLY A 223
MET A 174
LEU A 179
LEU A 182
 None
 0.94A 2hw2A-2qz6A:
undetectable		 2hw2A-2qz6A:
18.90
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 PHE A 656
ALA A 377
ASN A 385
GLY A 361
LEU A 644
 None
 1.09A 2hw2A-2x05A:
undetectable		 2hw2A-2x05A:
8.33
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.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 ALA A 144
GLY A 305
GLY A  80
LEU A  81
LEU A  84
 None
 1.05A 2hw2A-2xd3A:
undetectable		 2hw2A-2xd3A:
17.55
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.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		6 PHE A 385
PHE A 276
ALA A 173
SER A 234
GLY A 316
LEU A 315
 J01  A 600 (-4.7A)
None
J01  A 600 ( 4.0A)
J01  A 600 (-3.4A)
None
None
 1.16A 2hw2A-2xfsA:
undetectable		 2hw2A-2xfsA:
15.37
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.
2z37 CHITINASE

(Brassica juncea) 		PF00182
(Glyco_hydro_19) 		5 PHE A 205
GLY A 259
GLY A 275
LEU A 282
LEU A 280
 None
 1.05A 2hw2A-2z37A:
undetectable		 2hw2A-2z37A:
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.
3bhq TRANSCRIPTIONAL
REGULATOR

(Mesorhizobium
japonicum) 		PF00440
(TetR_N)
PF14246
(TetR_C_7) 		5 PHE A 201
MET A  87
GLY A  90
LEU A  91
LEU A  94
 None
 1.02A 2hw2A-3bhqA:
undetectable		 2hw2A-3bhqA:
20.28
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.
3daq DIHYDRODIPICOLINATE
SYNTHASE

(Staphylococcus
aureus) 		PF00701
(DHDPS) 		5 GLY A 189
ASN A 211
GLY A 238
LEU A 241
LEU A 240
 GOL  A 295 (-3.8A)
None
None
None
None
 1.07A 2hw2A-3daqA:
undetectable		 2hw2A-3daqA:
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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		5 PHE A 292
GLY A 232
SER A  48
GLY A 255
LEU A 256
 None
FAD  A 500 ( 4.6A)
FAD  A 500 ( 2.9A)
None
None
 1.00A 2hw2A-3dmeA:
undetectable		 2hw2A-3dmeA:
17.47
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.
3fvv UNCHARACTERIZED
PROTEIN

(Bordetella
pertussis) 		PF12710
(HAD) 		5 ALA A 136
THR A 115
GLY A  67
LEU A  69
LEU A  68
 None
SO4  A 233 (-3.8A)
None
None
None
 1.07A 2hw2A-3fvvA:
undetectable		 2hw2A-3fvvA:
22.41
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.
3gpr RHODOCETIN SUBUNIT
DELTA
RHODOCETIN SUBUNIT
GAMMA

(Calloselasma
rhodostoma) 		PF00059
(Lectin_C) 		6 ALA D4048
GLY D4051
ASN C3095
GLY D4066
LEU D4065
LEU D4067
 None
 1.12A 2hw2A-3gprD:
undetectable		 2hw2A-3gprD:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 PHE A 216
ALA A 199
GLY A  38
GLY A  22
LEU A  23
 None
 1.07A 2hw2A-3h1lA:
undetectable		 2hw2A-3h1lA:
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.
3hxw ALANYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01411
(tRNA-synt_2c) 		5 ALA A 316
GLY A 320
GLY A 373
LEU A 374
LEU A 377
 None
 0.97A 2hw2A-3hxwA:
undetectable		 2hw2A-3hxwA:
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.
3i4j AMINOTRANSFERASE,
CLASS III

(Deinococcus
radiodurans) 		PF00202
(Aminotran_3) 		5 PHE A  22
GLY A 404
GLY A 332
LEU A 333
LEU A 336
 None
 1.02A 2hw2A-3i4jA:
undetectable		 2hw2A-3i4jA:
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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		5 ALA A 157
GLY A 161
ASN A 281
GLY A 225
LEU A 315
 None
 0.96A 2hw2A-3ij3A:
undetectable		 2hw2A-3ij3A:
15.98
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.
3kds CELL DIVISION
PROTEIN FTSH

(Thermotoga
maritima) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		5 ALA E 207
GLY E 201
GLY E 266
LEU E 312
LEU E 316
 None
 1.04A 2hw2A-3kdsE:
undetectable		 2hw2A-3kdsE:
16.63
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.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 PHE A   3
ALA A 126
MET A 110
LEU A 155
LEU A   5
 None
 0.94A 2hw2A-3kzwA:
undetectable		 2hw2A-3kzwA:
14.61
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.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 ALA A  40
GLY A  42
THR A 334
SER A  36
GLY A 291
 None
 1.09A 2hw2A-3ndaA:
undetectable		 2hw2A-3ndaA:
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 ALA A 291
GLY A 268
GLY A  63
LEU A 423
LEU A 411
 LLP  A 292 ( 2.7A)
None
None
None
None
 0.96A 2hw2A-3oksA:
undetectable		 2hw2A-3oksA:
16.47
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.
3phf ENVELOPE
GLYCOPROTEIN H

(Human
gammaherpesvirus
4) 		no annotation 6 PHE A 322
GLY A 302
THR A 308
GLY A 347
LEU A 348
LEU A 351
 None
 1.40A 2hw2A-3phfA:
undetectable		 2hw2A-3phfA:
11.84
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.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLY A 865
THR A 759
GLY A 787
LEU A 785
LEU A 712
 None
None
None
03Q  A   1 (-3.1A)
None
 1.07A 2hw2A-3pp0A:
undetectable		 2hw2A-3pp0A:
17.23
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.
3q8n 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 ALA A 292
GLY A 269
GLY A  70
LEU A 424
LEU A 412
 None
 0.98A 2hw2A-3q8nA:
undetectable		 2hw2A-3q8nA:
17.41
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.
3qeq DMF4 ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		5 ALA D  77
GLY D  15
ASN D  74
GLY D  84
LEU D 104
 None
 1.03A 2hw2A-3qeqD:
undetectable		 2hw2A-3qeqD:
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		5 PHE A 475
ALA A 383
GLY A 388
LEU A 488
LEU A 491
 None
 0.98A 2hw2A-3qp9A:
undetectable		 2hw2A-3qp9A:
15.68
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.
3r4t 4-AMINOBUTYRATE
AMINOTRANSFERASE
GABT

(Mycobacterium
marinum) 		PF00202
(Aminotran_3) 		5 ALA A 290
GLY A 267
GLY A  62
LEU A 422
LEU A 410
 LLP  A 291 ( 2.7A)
None
None
None
None
 0.93A 2hw2A-3r4tA:
undetectable		 2hw2A-3r4tA:
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.
3txy ISOCHORISMATASE
FAMILY PROTEIN
FAMILY

(Burkholderia
thailandensis) 		PF00857
(Isochorismatase) 		5 ALA A 131
GLY A 135
THR A 159
GLY A 177
LEU A 176
 EDO  A 196 ( 3.9A)
None
None
None
None
 1.04A 2hw2A-3txyA:
undetectable		 2hw2A-3txyA:
23.12
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.
3woz CLIP-ASSOCIATING
PROTEIN 2

(Mus musculus) 		no annotation 5 PHE A 848
ALA A 813
THR A 773
GLY A 862
LEU A 866
 None
 1.07A 2hw2A-3wozA:
undetectable		 2hw2A-3wozA:
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.
3wsb FARNESYLTRANSFERASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF00494
(SQS_PSY) 		5 PHE A 282
SER A  42
GLY A 174
LEU A 175
LEU A 178
 None
FPS  A 501 (-2.6A)
None
FPS  A 501 (-4.3A)
None
 1.08A 2hw2A-3wsbA:
undetectable		 2hw2A-3wsbA:
15.86
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.
4akr F-ACTIN-CAPPING
PROTEIN SUBUNIT
ALPHA
F-ACTIN-CAPPING
PROTEIN SUBUNIT BETA

(Dictyostelium
discoideum) 		PF01115
(F_actin_cap_B)
PF01267
(F-actin_cap_A) 		5 PHE A  48
ASN A  13
THR A  47
LEU B  31
LEU B  28
 None
 1.04A 2hw2A-4akrA:
undetectable		 2hw2A-4akrA:
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.
4atq 4-AMINOBUTYRATE
TRANSAMINASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		5 ALA A 294
GLY A 271
GLY A  70
LEU A 431
LEU A 419
 PLP  A1456 ( 4.6A)
None
None
None
None
 1.06A 2hw2A-4atqA:
undetectable		 2hw2A-4atqA:
17.69
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		5 GLY A 490
MET A 543
GLY A 546
LEU A 547
LEU A 550
 None
 0.97A 2hw2A-4aysA:
undetectable		 2hw2A-4aysA:
12.50
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.
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 186
MET A 224
GLY A 228
LEU A 229
LEU A 232
 None
IOD  A 410 ( 4.1A)
IOD  A 410 ( 4.2A)
IOD  A 410 ( 4.8A)
None
 1.09A 2hw2A-4e1lA:
undetectable		 2hw2A-4e1lA:
17.35
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.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		5 ALA A 289
GLY A 266
GLY A  66
LEU A 421
LEU A 409
 LLP  A 290 ( 2.7A)
None
None
None
None
 1.04A 2hw2A-4ffcA:
undetectable		 2hw2A-4ffcA:
16.28
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.
4grv NEUROTENSIN RECEPTOR
TYPE 1, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ALA A1160
GLY A1162
ASN A1002
THR A1152
GLY A1012
 None
 0.88A 2hw2A-4grvA:
undetectable		 2hw2A-4grvA:
13.73
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.
4h18 CMT1

(Corynebacterium
glutamicum) 		PF00756
(Esterase) 		5 PHE A 198
GLY A 108
THR A 194
GLY A 156
LEU A 155
 None
 1.03A 2hw2A-4h18A:
undetectable		 2hw2A-4h18A:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ij4 CHITINASE A

(Gemmabryum
coronatum) 		PF00182
(Glyco_hydro_19) 		5 PHE A  54
GLY A  95
GLY A 111
LEU A 118
LEU A 116
 None
 1.04A 2hw2A-4ij4A:
undetectable		 2hw2A-4ij4A:
22.27
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.
4kl0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Xanthomonas
oryzae) 		PF01156
(IU_nuc_hydro) 		6 PHE A 319
ALA A 324
GLY A 327
GLY A 163
LEU A 201
LEU A 160
 None
 1.38A 2hw2A-4kl0A:
undetectable		 2hw2A-4kl0A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ALA A 282
GLY A 285
GLY A 318
LEU A 317
LEU A 341
 None
 0.99A 2hw2A-4mn8A:
undetectable		 2hw2A-4mn8A:
10.83
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.
4mna LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ALA A 282
GLY A 285
GLY A 318
LEU A 317
LEU A 341
 None
 1.05A 2hw2A-4mnaA:
undetectable		 2hw2A-4mnaA:
12.09
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.
4mst CLASS I CHITINASE

(Hevea
brasiliensis) 		PF00182
(Glyco_hydro_19) 		5 PHE A 110
GLY A 163
GLY A 179
LEU A 186
LEU A 184
 None
 1.09A 2hw2A-4mstA:
undetectable		 2hw2A-4mstA:
22.27
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.
4oya ADENYLATE CYCLASE
TYPE 10

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		5 PHE A 348
GLY A 434
THR A 293
SER A 388
GLY A 464
 None
 0.92A 2hw2A-4oyaA:
undetectable		 2hw2A-4oyaA:
16.16
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.
4pmj PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		5 PHE A 146
ALA A  88
GLY A 118
THR A  93
LEU A 154
 None
 1.08A 2hw2A-4pmjA:
undetectable		 2hw2A-4pmjA:
23.13
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.
4qg5 PUTATIVE
PHOSPHOGLUCOMUTASE

(Leishmania
major) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 PHE A  39
ASN A 133
THR A  38
GLY A  87
LEU A  89
 None
 1.06A 2hw2A-4qg5A:
undetectable		 2hw2A-4qg5A:
13.07
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.
4s3k SPORE GERMINATION
PROTEIN YAAH

(Bacillus
megaterium) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		5 PHE A 277
ALA A 405
GLY A 157
LEU A 156
LEU A 153
 None
 1.09A 2hw2A-4s3kA:
undetectable		 2hw2A-4s3kA:
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.
4uhh ESTERASE

(Thermogutta
terrifontis) 		PF00561
(Abhydrolase_1) 		5 PHE A 168
GLY A 219
THR A 167
GLY A  34
LEU A 100
 None
 0.99A 2hw2A-4uhhA:
undetectable		 2hw2A-4uhhA:
21.79
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.
4xe7 UNCHARACTERIZED
PROTEIN

(Bacillus
thuringiensis) 		no annotation 6 GLY A 238
ASN A 235
THR A 260
GLY A 380
LEU A 381
LEU A 384
 None
 1.31A 2hw2A-4xe7A:
undetectable		 2hw2A-4xe7A:
17.18
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.
4zk3 SERPIN B3

(Homo sapiens) 		PF00079
(Serpin) 		6 ALA A  37
GLY A  39
THR A 347
SER A  33
MET A 304
GLY A 303
 None
 1.09A 2hw2A-4zk3A:
undetectable		 2hw2A-4zk3A:
16.58
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.
4zn2 PSLG

(Pseudomonas
aeruginosa) 		PF00150
(Cellulase) 		5 ALA A 207
GLY A 205
GLY A 223
LEU A 222
LEU A 225
 None
 1.07A 2hw2A-4zn2A:
undetectable		 2hw2A-4zn2A:
15.83
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCOP1

(Pseudomonas
stutzeri) 		PF13442
(Cytochrome_CBB3)
PF14715
(FixP_N) 		5 ALA C 106
GLY C 111
GLY C 135
LEU C 293
LEU C 294
 None
None
None
None
HEC  C 402 ( 4.1A)
 1.04A 2hw2A-5djqC:
undetectable		 2hw2A-5djqC:
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.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		5 ALA A 215
GLY A 217
MET A 168
LEU A 173
LEU A 176
 None
 0.90A 2hw2A-5e2hA:
undetectable		 2hw2A-5e2hA:
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.
5e38 URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF14681
(UPRTase) 		5 ALA A 133
GLY A 164
GLY A 143
LEU A 142
LEU A 145
 None
 1.00A 2hw2A-5e38A:
undetectable		 2hw2A-5e38A:
22.27
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.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 GLY A 126
ASN A 130
THR A 135
LEU A 244
LEU A 247
 None
 1.04A 2hw2A-5epaA:
undetectable		 2hw2A-5epaA:
18.86
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.
5evl BETA-LACTAMASE

(Chromobacterium
violaceum) 		PF00144
(Beta-lactamase) 		5 ALA A 222
GLY A 224
MET A 175
LEU A 180
LEU A 183
 None
 0.96A 2hw2A-5evlA:
undetectable		 2hw2A-5evlA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		5 ALA A 572
GLY A 576
GLY A 495
LEU A 312
LEU A 498
 None
 1.01A 2hw2A-5fn4A:
undetectable		 2hw2A-5fn4A:
11.51
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.
5gp4 GLUTAMATE
DECARBOXYLASE

(Lactobacillus
brevis) 		no annotation 5 ALA C 248
GLY C 251
SER C 126
LEU C 223
LEU C 226
 PLP  C 501 (-3.1A)
None
PLP  C 501 (-4.2A)
None
None
 1.09A 2hw2A-5gp4C:
undetectable		 2hw2A-5gp4C:
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.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 GLY A 251
ASN A 321
GLY A 282
LEU A 303
LEU A 327
 NAG  A 803 ( 3.9A)
None
SO4  A 807 (-3.9A)
None
None
 1.08A 2hw2A-5gr8A:
undetectable		 2hw2A-5gr8A:
12.94
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.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN

(Exiguobacterium
antarcticum) 		PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4) 		5 ALA A  64
GLY A 188
ASN A  33
MET A  74
LEU A  27
 None
 0.99A 2hw2A-5h3hA:
undetectable		 2hw2A-5h3hA:
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.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 GLY B 228
THR B 224
SER B 248
GLY B 211
LEU B 237
 None
 1.00A 2hw2A-5hz1B:
undetectable		 2hw2A-5hz1B:
12.64
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.
5inw PUTATIVE
ANGIOTENSINOGEN

(Lampetra
fluviatilis) 		PF00079
(Serpin) 		5 ALA A 115
GLY A 117
THR A 411
MET A 368
GLY A 367
 None
 0.88A 2hw2A-5inwA:
undetectable		 2hw2A-5inwA:
17.03
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.
5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE

(Rhodococcus
hoagii) 		PF00150
(Cellulase) 		5 ALA A 118
GLY A 114
ASN A  58
GLY A 208
LEU A 128
 None
 0.97A 2hw2A-5j7zA:
undetectable		 2hw2A-5j7zA:
16.33
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase)
PF03814
(KdpA) 		5 PHE B 232
PHE A 392
ALA B 227
GLY B 573
LEU A 396
 None
 1.09A 2hw2A-5mrwB:
undetectable		 2hw2A-5mrwB:
12.48
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.
5n4a INTRAFLAGELLAR
TRANSPORT PROTEIN 80

(Chlamydomonas
reinhardtii) 		no annotation 5 GLY A 204
SER A 223
GLY A 285
LEU A 274
LEU A 283
 None
 0.85A 2hw2A-5n4aA:
undetectable		 2hw2A-5n4aA:
16.78
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.
5n9m COBYRIC ACID
SYNTHASE

(Staphylococcus
aureus) 		no annotation 5 GLY A  21
ASN A 196
GLY A  90
LEU A  91
LEU A 184
 None
 0.92A 2hw2A-5n9mA:
undetectable		 2hw2A-5n9mA:
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.
5vc2 SERINE
HYDROXYMETHYLTRANSFE
RASE

(Helicobacter
pylori) 		PF00464
(SHMT) 		5 ALA A 335
GLY A 333
MET A  29
GLY A 360
LEU A 314
 None
 1.07A 2hw2A-5vc2A:
undetectable		 2hw2A-5vc2A:
14.76
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.
5xks THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Geobacillus sp.
12AMOR1) 		no annotation 5 ALA A 117
GLY A 115
SER A 241
GLY A  80
LEU A  84
 None
 0.97A 2hw2A-5xksA:
undetectable		 2hw2A-5xksA:
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.
5za2 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 ALA A 221
GLY A 223
MET A 174
LEU A 179
LEU A 182
 None
 0.99A 2hw2A-5za2A:
undetectable		 2hw2A-5za2A:
20.28
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 5 ALA A 498
GLY A 500
MET A 353
GLY A 355
LEU A 356
 None
 1.00A 2hw2A-6c01A:
undetectable		 2hw2A-6c01A:
16.33
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.
6cxd PEPTIDASE B

(Yersinia pestis) 		no annotation 5 ALA A 119
GLY A 123
ASN A 251
GLY A 195
LEU A 285
 None
 0.99A 2hw2A-6cxdA:
undetectable		 2hw2A-6cxdA:
21.99
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.
6dft -

(-) 		no annotation 5 ALA B  99
GLY B 214
THR B  97
GLY B 134
LEU B 136
 NAD  B 500 (-3.2A)
NAD  B 500 (-3.6A)
None
None
None
 1.07A 2hw2A-6dftB:
undetectable		 2hw2A-6dftB:
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 PHE A   7
GLY A  63
GLY A 174
LEU A 173
LEU A 172
 None
 1.05A 2hw2A-6ekvA:
undetectable		 2hw2A-6ekvA:
12.06
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.
6f2t -

(-) 		no annotation 5 ALA A 498
GLY A 500
MET A 354
GLY A 356
LEU A 357
 None
 0.98A 2hw2A-6f2tA:
undetectable		 2hw2A-6f2tA:
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 5 ALA A 219
GLY A 221
MET A 172
LEU A 177
LEU A 180
 None
 1.00A 2hw2A-6fm7A:
undetectable		 2hw2A-6fm7A:
21.28
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.
6fxn BELIMUMAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 ALA D  72
GLY D  77
ASN D  32
GLY D 114
LEU D   4
 None
 1.09A 2hw2A-6fxnD:
undetectable		 2hw2A-6fxnD:
18.57
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.
6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)

(Homo sapiens) 		no annotation 5 ALA A 429
GLY A 434
THR A 384
MET A 267
LEU A 107
 GLN  A 601 (-4.5A)
GLN  A 601 ( 4.8A)
None
None
None
 1.08A 2hw2A-6gctA:
undetectable		 2hw2A-6gctA:
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.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 TRP A 133
LEU A 136
VAL A  96
LYS A  99
 None
 1.30A 2hw2A-1h39A:
0.0		 2hw2A-1h39A:
11.73
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 TRP A 425
LEU A 124
VAL A 273
LYS A 272
 None
 1.38A 2hw2A-2qfrA:
0.0		 2hw2A-2qfrA:
16.75
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.
3te6 REGULATORY PROTEIN
SIR3

(Saccharomyces
cerevisiae) 		no annotation 4 TRP A 683
LEU A 646
VAL A 653
LYS A 657
 None
 1.26A 2hw2A-3te6A:
0.0		 2hw2A-3te6A:
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.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		4 TRP A  69
LEU A 222
VAL A  44
LYS A  45
 None
 1.47A 2hw2A-5ufsA:
0.0		 2hw2A-5ufsA:
16.67
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.
5wk1 MAJOR CAPSID PROTEIN

(Pseudoalteromonas
phage TW1) 		no annotation 4 TRP A 183
LEU A 182
VAL A 205
LYS A 346
 None
 1.34A 2hw2A-5wk1A:
0.0		 2hw2A-5wk1A:
24.14