SIMILAR PATTERNS OF AMINO ACIDS FOR 1HWI_B_115B1

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.
1dnp DNA PHOTOLYASE

(Escherichia
coli) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 CYH A 215
LEU A 256
ALA A 262
LEU A 263
LEU A 272
 None
 1.33A 1hwiA-1dnpA:
undetectable		 1hwiA-1dnpA:
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.
1f2h TUMOR NECROSIS
FACTOR RECEPTOR TYPE
1 ASSOCIATED DEATH
DOMAIN PROTEIN

(Homo sapiens) 		PF09034
(TRADD_N) 		5 CYH A  83
LEU A  75
ALA A  15
LEU A  17
LEU A 118
 None
 1.42A 1hwiA-1f2hA:
2.7		 1hwiA-1f2hA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jh7 CYCLIC
PHOSPHODIESTERASE

(Arabidopsis
thaliana) 		PF07823
(CPDase) 		5 GLU A 137
ASN A 134
LEU A  30
LEU A  26
LEU A 146
 None
 1.49A 1hwiA-1jh7A:
undetectable		 1hwiA-1jh7A:
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.
1jmk SURFACTIN SYNTHETASE

(Bacillus
subtilis) 		PF00975
(Thioesterase) 		5 ASN C  14
LEU C  41
ALA C 220
LEU C 223
LEU C 211
 SO4  C 502 (-4.6A)
None
None
None
None
 1.46A 1hwiA-1jmkC:
0.0		 1hwiA-1jmkC:
22.10
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.
1mzv ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Leishmania
tarentolae) 		PF00156
(Pribosyltran) 		5 HIS A 188
ASN A   9
ALA A 155
LEU A 159
LEU A 144
 None
 1.21A 1hwiA-1mzvA:
0.0		 1hwiA-1mzvA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		5 CYH A 365
HIS A 103
LEU A  95
ALA A 250
LEU A 247
 HEM  A 440 (-2.3A)
HEM  A 440 (-3.9A)
HEM  A 440 (-3.7A)
EPB  A 450 ( 3.7A)
None
 1.23A 1hwiA-1q5dA:
undetectable		 1hwiA-1q5dA:
23.11
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.
1qcd ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Leishmania
donovani) 		PF00156
(Pribosyltran) 		5 HIS A 188
ASN A   9
ALA A 155
LEU A 159
LEU A 144
 None
 1.20A 1hwiA-1qcdA:
0.0		 1hwiA-1qcdA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkt FATTY ACID SYNTHASE

(Homo sapiens) 		PF00975
(Thioesterase) 		5 HIS A2498
LEU A2264
ALA A2261
LEU A2260
LEU A2246
 None
 1.08A 1hwiA-1xktA:
0.0		 1hwiA-1xktA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 432
LEU A 451
ALA A 272
LEU A 276
LEU A 309
 9CR  A 801 ( 3.7A)
None
9CR  A 801 (-3.5A)
None
9CR  A 801 (-4.2A)
 1.25A 1hwiA-1xlsA:
undetectable		 1hwiA-1xlsA:
22.50
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.
1ydo HMG-COA LYASE

(Bacillus
subtilis) 		PF00682
(HMGL-like) 		5 CYH A  99
ASN A 128
LEU A  87
ALA A  90
LEU A  91
 None
 0.84A 1hwiA-1ydoA:
0.0		 1hwiA-1ydoA:
22.59
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 GLU A 843
LEU A 749
ALA A 742
LEU A 752
LEU A 852
 None
 1.38A 1hwiA-1yq2A:
undetectable		 1hwiA-1yq2A:
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.
1z6r MLC PROTEIN

(Escherichia
coli) 		PF00480
(ROK) 		5 HIS A 291
LEU A 282
ALA A 278
LEU A 310
LEU A 300
 None
 1.39A 1hwiA-1z6rA:
undetectable		 1hwiA-1z6rA:
22.59
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.
1zlj DORMANCY SURVIVAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00196
(GerE) 		5 ASN A 167
LEU A 161
ALA A 200
LEU A 158
LEU A 192
 None
 1.37A 1hwiA-1zljA:
undetectable		 1hwiA-1zljA:
11.71
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		5 HIS A 303
LEU A 264
ALA A 260
LEU A 272
LEU A 292
 None
 1.30A 1hwiA-2bxyA:
undetectable		 1hwiA-2bxyA:
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.
2g5d GNA33

(Neisseria
gonorrhoeae) 		PF03562
(MltA)
PF06725
(3D) 		5 HIS A 260
LEU A 256
ALA A 250
LEU A 145
LEU A 267
 None
 1.42A 1hwiA-2g5dA:
undetectable		 1hwiA-2g5dA:
22.03
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.
2h1i CARBOXYLESTERASE

(Bacillus cereus) 		PF02230
(Abhydrolase_2) 		5 ASN A 104
LEU A  20
ALA A  99
LEU A  18
LEU A 112
 CL  A 302 (-3.9A)
None
None
None
None
 1.48A 1hwiA-2h1iA:
1.4		 1hwiA-2h1iA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		8 GLU A 559
CYH A 561
LYS A 735
HIS A 752
ASN A 755
LEU A 853
ALA A 856
LEU A 857
 None
 0.20A 1hwiA-2r4fA:
53.3		 1hwiA-2r4fA:
95.81
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.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		5 ASN A 160
LEU A 229
ALA A 139
LEU A 143
LEU A 239
 None
 1.33A 1hwiA-2xmrA:
undetectable		 1hwiA-2xmrA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yw4 4-HYDROXY-2-OXOGLUTA
RATE
ALDOLASE/2-DEYDRO-3-
DEOXYPHOSPHOGLUCONAT
E ALDOLASE

(Thermus
thermophilus) 		PF01081
(Aldolase) 		5 GLU A 134
LEU A 165
ALA A 169
LEU A 201
LEU A 174
 None
 1.42A 1hwiA-2yw4A:
undetectable		 1hwiA-2yw4A:
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		5 GLU A  64
LEU A  48
ALA A  51
LEU A  52
LEU A  61
 MES  A 301 (-3.4A)
None
None
None
None
 1.23A 1hwiA-2z0jA:
undetectable		 1hwiA-2z0jA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zzr UNSATURATED
GLUCURONYL HYDROLASE

(Streptococcus
agalactiae) 		PF07470
(Glyco_hydro_88) 		5 ASN A  97
LEU A  78
ALA A  81
LEU A  40
LEU A 384
 None
 1.40A 1hwiA-2zzrA:
undetectable		 1hwiA-2zzrA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3acz METHIONINE
GAMMA-LYASE

(Entamoeba
histolytica) 		PF01053
(Cys_Met_Meta_PP) 		5 HIS A 276
LEU A 386
ALA A 385
LEU A 320
LEU A 324
 None
 1.07A 1hwiA-3aczA:
undetectable		 1hwiA-3aczA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		5 HIS X 236
LEU X 225
ALA X 223
LEU X 205
LEU X 200
 None
 1.19A 1hwiA-3du1X:
undetectable		 1hwiA-3du1X:
20.04
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.
3f7w PUTATIVE
FRUCTOSAMINE-3-KINAS
E

(Thermobifida
fusca) 		PF03881
(Fructosamin_kin) 		5 HIS A 179
LEU A 180
ALA A 284
LEU A 256
LEU A 259
 None
 1.45A 1hwiA-3f7wA:
undetectable		 1hwiA-3f7wA:
20.30
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		5 GLU A 499
ASN A 496
ALA A 516
LEU A 520
LEU A 458
 None
 1.23A 1hwiA-3k8kA:
undetectable		 1hwiA-3k8kA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lra DISKS LARGE HOMOLOG
1, MAGUK P55
SUBFAMILY MEMBER 7,
PROTEIN LIN-7
HOMOLOG C

(Homo sapiens) 		PF02828
(L27)
PF09058
(L27_1) 		5 ASN A 154
LEU A 148
ALA A 145
LEU A 144
LEU A 164
 None
 0.98A 1hwiA-3lraA:
undetectable		 1hwiA-3lraA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		5 ASN A 390
LEU A 392
ALA A 348
LEU A 321
LEU A 323
 None
 1.49A 1hwiA-3m8yA:
2.3		 1hwiA-3m8yA:
21.11
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.
3p2m POSSIBLE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 HIS A  95
ASN A  93
ALA A  46
LEU A  47
LEU A  42
 None
 1.37A 1hwiA-3p2mA:
undetectable		 1hwiA-3p2mA:
20.33
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.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 HIS A 216
LEU A 199
ALA A 202
LEU A 203
LEU A 318
 None
 1.29A 1hwiA-3s2uA:
undetectable		 1hwiA-3s2uA:
25.47
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLU A 468
HIS A 464
LEU A 594
LEU A 596
LEU A 515
 None
 1.41A 1hwiA-3viuA:
undetectable		 1hwiA-3viuA:
23.81
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.
4biz SENSOR PROTEIN CPXA

(Escherichia
coli) 		PF00512
(HisKA)
PF00672
(HAMP)
PF02518
(HATPase_c) 		5 GLU A 408
LEU A 445
ALA A 437
LEU A 447
LEU A 421
 None
ADP  A 501 (-3.9A)
None
None
ADP  A 501 (-3.8A)
 1.44A 1hwiA-4bizA:
undetectable		 1hwiA-4bizA:
22.25
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.
4fb5 PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLU A 327
CYH A 328
ASN A 131
ALA A  19
LEU A   8
 None
 1.38A 1hwiA-4fb5A:
undetectable		 1hwiA-4fb5A:
22.13
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.
4heh APPA PROTEIN

(Rhodobacter
sphaeroides) 		no annotation 5 GLU A 289
LEU A 256
ALA A 252
LEU A 199
LEU A 235
 None
 1.34A 1hwiA-4hehA:
undetectable		 1hwiA-4hehA:
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.
4hh1 APPA PROTEIN

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		5 GLU A 289
LEU A 256
ALA A 252
LEU A 199
LEU A 235
 None
 1.44A 1hwiA-4hh1A:
3.1		 1hwiA-4hh1A:
23.84
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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		5 ASN A 613
LEU A 595
ALA A 598
LEU A 599
LEU A 605
 None
 1.23A 1hwiA-4k17A:
undetectable		 1hwiA-4k17A:
22.80
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.
4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 GLU A 480
LEU A 540
ALA A 470
LEU A 542
LEU A 492
 None
 1.46A 1hwiA-4ksiA:
undetectable		 1hwiA-4ksiA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 CYH A 117
LEU A 164
ALA A 167
LEU A 168
LEU A 127
 None
 1.24A 1hwiA-4l4xA:
undetectable		 1hwiA-4l4xA:
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 GLU A 307
LEU A 349
ALA A 352
LEU A 381
LEU A 318
 None
 1.27A 1hwiA-4nurA:
undetectable		 1hwiA-4nurA:
21.53
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.
4ow2 YOP EFFECTOR YOPM

(Yersinia
enterocolitica) 		PF12468
(TTSSLRR) 		5 CYH A 100
ASN A 141
LEU A 103
LEU A  86
LEU A  78
 None
 1.37A 1hwiA-4ow2A:
undetectable		 1hwiA-4ow2A:
22.20
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.
4pq0 FACT COMPLEX SUBUNIT
POB3

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		5 HIS A 279
ASN A 264
LEU A 364
LEU A 345
LEU A 330
 None
 1.40A 1hwiA-4pq0A:
undetectable		 1hwiA-4pq0A:
18.09
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.
4q5t LIPOPROTEIN

(Streptococcus
mutans) 		PF03180
(Lipoprotein_9) 		5 GLU A 132
LEU A 221
ALA A 158
LEU A 116
LEU A 160
 None
 1.46A 1hwiA-4q5tA:
undetectable		 1hwiA-4q5tA:
20.55
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.
4ubs PENTALENIC ACID
SYNTHASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 CYH A 351
HIS A 100
LEU A  92
LEU A 234
LEU A 238
 HEM  A 501 (-2.4A)
HEM  A 501 (-3.8A)
HEM  A 501 (-4.1A)
None
HEM  A 501 (-4.3A)
 1.28A 1hwiA-4ubsA:
undetectable		 1hwiA-4ubsA:
24.75
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 GLU A1480
LEU A1651
ALA A1653
LEU A1634
LEU A1619
 None
 1.46A 1hwiA-5a31A:
undetectable		 1hwiA-5a31A:
16.08
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.
5a8f GENOME POLYPHUMAN
SAFFOLD VIRUS-3 VP3
PROTEIN

(Cardiovirus B) 		PF00073
(Rhv) 		5 ASN B 110
LEU B  95
ALA B  99
LEU B  85
LEU B 220
 None
 1.48A 1hwiA-5a8fB:
undetectable		 1hwiA-5a8fB:
17.76
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.
5b0n E3 UBIQUITIN-PROTEIN
LIGASE IPAH9.8

(Shigella
flexneri) 		PF12468
(TTSSLRR) 		5 ASN A  74
LEU A  50
ALA A  46
LEU A  63
LEU A  68
 None
 1.35A 1hwiA-5b0nA:
undetectable		 1hwiA-5b0nA:
19.39
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		5 ASN A 509
LEU B  27
ALA A 463
LEU B  24
LEU A 519
 None
 1.43A 1hwiA-5c6gA:
undetectable		 1hwiA-5c6gA:
23.81
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.
5cfc VP3

(Cardiovirus B) 		PF00073
(Rhv) 		5 ASN B 110
LEU B  95
ALA B  99
LEU B  85
LEU B 220
 None
 1.48A 1hwiA-5cfcB:
undetectable		 1hwiA-5cfcB:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cws NUCLEOPORIN NSP1
NUCLEOPORIN NUP49
NUCLEOPORIN NUP57

(Chaetomium
thermophilum) 		PF05064
(Nsp1_C)
PF13874
(Nup54)
no annotation 		5 HIS C 626
LEU E 287
ALA E 283
LEU D 438
LEU D 434
 None
 1.44A 1hwiA-5cwsC:
undetectable		 1hwiA-5cwsC:
18.71
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 CYH I  31
HIS I 185
LEU I  34
ALA I  44
LEU I  14
 7F1  I 300 ( 3.8A)
None
None
None
None
 1.48A 1hwiA-5fmgI:
1.1		 1hwiA-5fmgI:
18.33
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.
5gkm AT5G51070/K3K7_27

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		5 ASN A 218
LEU A 212
ALA A 208
LEU A 112
LEU A 200
 None
 1.22A 1hwiA-5gkmA:
undetectable		 1hwiA-5gkmA:
17.00
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.
5gml GOLGI
REASSEMBLY-STACKING
PROTEIN 2

(Mus musculus) 		PF04495
(GRASP55_65) 		5 GLU A 154
HIS A 156
LEU A 161
ALA A 139
LEU A 163
 None
 1.26A 1hwiA-5gmlA:
undetectable		 1hwiA-5gmlA:
18.55
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.
5gwe CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		5 CYH A 403
HIS A 143
LEU A 135
LEU A 285
LEU A 289
 HEM  A 501 (-2.3A)
HEM  A 501 (-3.9A)
HEM  A 501 ( 3.9A)
None
None
 1.38A 1hwiA-5gweA:
undetectable		 1hwiA-5gweA:
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.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 5 GLU B 625
LEU B 581
ALA B 584
LEU B 610
LEU B 160
 None
 1.36A 1hwiA-5khnB:
3.7		 1hwiA-5khnB:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 CYH A1510
ASN A1399
ALA A1383
LEU A1384
LEU A1470
 None
 1.37A 1hwiA-5m5pA:
1.2		 1hwiA-5m5pA:
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.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		5 GLU A 513
CYH A 512
LEU A 538
LEU A 281
LEU A 289
 None
None
NRF  A 601 ( 4.5A)
NRF  A 601 (-4.6A)
None
 1.35A 1hwiA-5mogA:
2.6		 1hwiA-5mogA:
23.90
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT B

(Methanothermococcus
thermolithotrophicus) 		PF02754
(CCG) 		5 CYH B  42
LEU B  64
ALA B  88
LEU B  92
LEU B  57
 9S8  B 301 (-2.0A)
None
None
None
None
 1.48A 1hwiA-5odrB:
undetectable		 1hwiA-5odrB:
22.85
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.
5ux1 TRNA-(MS(2)IO(6)A)-H
YDROXYLASE-LIKE

(Synechococcus
sp. CC9605) 		no annotation 5 CYH A  52
HIS A  87
LEU A 163
LEU A 159
LEU A  46
 None
FE  A 302 (-3.2A)
None
None
None
 1.27A 1hwiA-5ux1A:
undetectable		 1hwiA-5ux1A:
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.
5x5h CYSTATHIONINE
BETA-LYASES/CYSTATHI
ONINE
GAMMA-SYNTHASES

(Corynebacterium
glutamicum) 		PF01053
(Cys_Met_Meta_PP) 		5 GLU A  71
ASN A 180
ALA A  85
LEU A  89
LEU A 228
 MG  A 405 (-3.5A)
None
None
None
None
 1.28A 1hwiA-5x5hA:
undetectable		 1hwiA-5x5hA:
21.89
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.
5xjn CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		5 CYH A 376
HIS A 116
LEU A 108
LEU A 258
LEU A 262
 HEM  A 502 (-2.4A)
HEM  A 502 (-3.9A)
HEM  A 502 ( 3.7A)
None
HEM  A 502 ( 4.1A)
 1.38A 1hwiA-5xjnA:
undetectable		 1hwiA-5xjnA:
21.92
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.
5xvs GDP/UDP-N,N'-DIACETY
LBACILLOSAMINE
2-EPIMERASE
(HYDROLYZING)

(Acinetobacter
baumannii) 		no annotation 5 ASN A 288
LEU A 223
ALA A 226
LEU A 227
LEU A 333
 None
 1.30A 1hwiA-5xvsA:
undetectable		 1hwiA-5xvsA:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yll BETA-1,4-MANNANASE

(Amphibacillus
xylanus) 		no annotation 5 CYH B 135
LEU B  80
ALA B  75
LEU B  27
LEU B  71
 None
 1.48A 1hwiA-5yllB:
undetectable		 1hwiA-5yllB:
10.34
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.
5yy3 -

(-) 		no annotation 5 CYH A 466
LEU A 479
ALA A 569
LEU A 481
LEU A 414
 None
 0.98A 1hwiA-5yy3A:
undetectable		 1hwiA-5yy3A:
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.
6dk2 -

(-) 		no annotation 5 CYH A 412
HIS A 487
LEU A 486
ALA A 439
LEU A 442
 None
None
None
None
EDO  A 615 ( 4.3A)
 1.41A 1hwiA-6dk2A:
undetectable		 1hwiA-6dk2A:
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.
6emg G0S4M2

(Chaetomium
thermophilum) 		no annotation 5 CYH A  71
HIS A  30
LEU A  26
ALA A  57
LEU A  14
 None
 1.46A 1hwiA-6emgA:
undetectable		 1hwiA-6emgA:
10.02
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.
1dtp DIPHTHERIA TOXIN

(Corynephage
beta) 		PF02763
(Diphtheria_C) 		4 SER A 137
VAL A  91
SER A  11
ASP A   7
 None
 1.22A 1hwiB-1dtpA:
undetectable		 1hwiB-1dtpA:
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.
1ex9 LACTONIZING LIPASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		4 ARG A 274
ASN A 278
ASP A  38
LYS A   1
 None
 1.06A 1hwiB-1ex9A:
undetectable		 1hwiB-1ex9A:
22.59
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.
1hg0 L-ASPARAGINASE

(Dickeya
chrysanthemi) 		PF00710
(Asparaginase) 		4 ARG A 258
VAL A 257
SER A 256
ASP A 228
 None
 1.19A 1hwiB-1hg0A:
undetectable		 1hwiB-1hg0A:
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.
1i8q HYALURONATE LYASE

(Streptococcus
agalactiae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ARG A 837
SER A 679
ASP A 798
LYS A 800
 None
 1.20A 1hwiB-1i8qA:
undetectable		 1hwiB-1i8qA:
20.05
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.
1nfd H57 FAB
N15 ALPHA-BETA
T-CELL RECEPTOR

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL E  97
SER E  91
ASN E  95
LYS B 224
 None
 1.11A 1hwiB-1nfdE:
0.0		 1hwiB-1nfdE:
17.63
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.
1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN

(Wolinella
succinogenes) 		PF13085
(Fer2_3)
PF13183
(Fer4_8) 		4 ARG B 178
VAL B 118
SER B 115
ASN B 112
 None
 1.17A 1hwiB-1qlbB:
0.0		 1hwiB-1qlbB:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryy ALPHA-AMINO ACID
ESTER HYDROLASE

(Acetobacter
pasteurianus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 ARG A 523
ASN A 603
ASP A 425
LYS A 427
 None
 1.22A 1hwiB-1ryyA:
0.6		 1hwiB-1ryyA:
19.58
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 ARG A 409
SER A 452
VAL A 169
ASN A 164
ASP A 162
 None
 1.48A 1hwiB-1suvA:
undetectable		 1hwiB-1suvA:
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.
1ti8 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 SER A 216
VAL A 214
ASP A 231
LYS A 101
 None
 1.24A 1hwiB-1ti8A:
undetectable		 1hwiB-1ti8A:
23.43
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.
1tjy SUGAR TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		4 SER A  94
VAL A  70
ASN A  78
LYS A 103
 None
 1.09A 1hwiB-1tjyA:
undetectable		 1hwiB-1tjyA:
21.84
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.
1twb STRINGENT STARVATION
PROTEIN B HOMOLOG

(Haemophilus
influenzae) 		PF04386
(SspB) 		4 ARG A  74
VAL A  78
SER A  79
ASN A  72
 None
 1.13A 1hwiB-1twbA:
undetectable		 1hwiB-1twbA:
13.35
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		4 ARG A 191
VAL A 190
SER A 187
ASN A 184
 None
 1.02A 1hwiB-1ur4A:
undetectable		 1hwiB-1ur4A:
22.11
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.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		4 ARG A 772
SER A 655
SER A 725
ASN A 720
 None
 1.21A 1hwiB-1urjA:
undetectable		 1hwiB-1urjA:
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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 SER A 315
SER A 429
ASN A  75
ASP A 348
 NAD  A 601 ( 2.8A)
K  A 526 (-3.1A)
NAD  A 601 (-3.6A)
NAD  A 601 (-3.1A)
 1.08A 1hwiB-1vkoA:
undetectable		 1hwiB-1vkoA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E

(Mus musculus) 		PF00755
(Carn_acyltransf) 		4 ARG A 245
SER A  97
ASN A 102
ASP A 308
 None
 1.24A 1hwiB-1xl8A:
3.6		 1hwiB-1xl8A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yif BETA-1,4-XYLOSIDASE

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		4 SER A  29
VAL A  72
ASN A 103
ASP A 127
 None
 1.26A 1hwiB-1yifA:
undetectable		 1hwiB-1yifA:
20.89
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.
1yxm PEROXISOMAL TRANS
2-ENOYL COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		4 ARG A 175
SER A 171
VAL A 159
ASN A 107
 None
 1.07A 1hwiB-1yxmA:
undetectable		 1hwiB-1yxmA:
22.75
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.
2c20 UDP-GLUCOSE
4-EPIMERASE

(Bacillus
anthracis) 		PF01370
(Epimerase) 		4 VAL A  82
SER A  83
ASN A 140
LYS A 146
 None
None
None
NAD  A 401 (-2.0A)
 1.21A 1hwiB-2c20A:
undetectable		 1hwiB-2c20A:
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.
2exh BETA-D-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43) 		4 SER A  30
VAL A  73
ASN A 104
ASP A 128
 None
 1.25A 1hwiB-2exhA:
undetectable		 1hwiB-2exhA:
20.18
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.
2lgz DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 4 SER A 227
VAL A 232
ASN A 181
LYS A   1
 None
 1.06A 1hwiB-2lgzA:
undetectable		 1hwiB-2lgzA:
17.53
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.
2mqe OMPA DOMAIN PROTEIN
TRANSMEMBRANE
REGION-CONTAINING
PROTEIN

(Escherichia
coli) 		PF00691
(OmpA) 		4 SER A 233
VAL A 235
SER A 275
ASP A 272
 None
 1.25A 1hwiB-2mqeA:
undetectable		 1hwiB-2mqeA:
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.
2ozo TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		4 SER A 144
VAL A 314
SER A 313
LYS A 151
 None
 1.19A 1hwiB-2ozoA:
undetectable		 1hwiB-2ozoA:
22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		8 ARG A 590
SER A 661
VAL A 683
SER A 684
ASN A 686
ASP A 690
LYS A 691
LYS A 692
 RIE  A 876 (-2.9A)
RIE  A 876 (-2.9A)
RIE  A 876 ( 4.4A)
RIE  A 876 (-2.5A)
RIE  A 876 ( 4.8A)
RIE  A 876 (-3.6A)
RIE  A 876 (-2.8A)
RIE  A 876 (-3.1A)
 0.36A 1hwiB-2r4fA:
53.5		 1hwiB-2r4fA:
95.81
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.
2rfa TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		4 SER A  62
VAL A  97
ASN A  91
ASP A  57
 None
 1.15A 1hwiB-2rfaA:
undetectable		 1hwiB-2rfaA:
19.33
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.
2v91 STRICTOSIDINE
SYNTHASE

(Rauvolfia
serpentina) 		PF03088
(Str_synth) 		4 VAL A  64
SER A  58
ASN A  44
ASP A 106
 None
 1.26A 1hwiB-2v91A:
undetectable		 1hwiB-2v91A:
20.39
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.
2vdt LEVANSUCRASE

(Bacillus
subtilis) 		PF02435
(Glyco_hydro_68) 		4 SER A 359
SER A 334
ASN A 335
ASP A 339
 None
None
None
CA  A1473 (-2.4A)
 1.20A 1hwiB-2vdtA:
undetectable		 1hwiB-2vdtA:
20.35
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 VAL A 211
SER A 221
ASN A 220
ASP A 218
 None
 1.23A 1hwiB-2ycbA:
2.5		 1hwiB-2ycbA:
22.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yq4 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 SER A  37
VAL A  61
ASN A  85
ASP A  58
 None
 1.01A 1hwiB-2yq4A:
undetectable		 1hwiB-2yq4A:
25.05
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.
2z95 GDP-D-MANNOSE
DEHYDRATASE

(Aquifex
aeolicus) 		PF16363
(GDP_Man_Dehyd) 		4 VAL A  90
SER A  91
ASP A 102
LYS A 155
 None
None
None
NDP  A1001 (-2.9A)
 1.21A 1hwiB-2z95A:
undetectable		 1hwiB-2z95A:
20.58
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.
2zom PROTEIN CUTA,
CHLOROPLAST,
PUTATIVE, EXPRESSED

(Oryza sativa) 		PF03091
(CutA1) 		4 ARG A  68
SER A  70
VAL A   8
ASN A 108
 None
 1.11A 1hwiB-2zomA:
5.6		 1hwiB-2zomA:
13.99
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.
2zvi 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Bacillus
subtilis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 SER A 337
VAL A 335
SER A 300
ASN A 292
 None
 1.26A 1hwiB-2zviA:
4.7		 1hwiB-2zviA:
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 VAL A 269
SER A 268
ASN A 316
ASP A 264
 None
 1.22A 1hwiB-3a9sA:
undetectable		 1hwiB-3a9sA:
23.53
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 VAL A 401
SER A 402
ASN A 381
ASP A 379
 None
 1.25A 1hwiB-3dkhA:
undetectable		 1hwiB-3dkhA:
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.
3e5z PUTATIVE
GLUCONOLACTONASE

(Deinococcus
radiodurans) 		PF08450
(SGL) 		4 SER A 131
VAL A 187
SER A 188
ASP A 221
 None
None
None
MG  A 297 (-2.9A)
 1.20A 1hwiB-3e5zA:
undetectable		 1hwiB-3e5zA:
21.35
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.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 SER A 253
VAL A 255
SER A 268
ASP A 530
 None
 1.02A 1hwiB-3gdeA:
undetectable		 1hwiB-3gdeA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		4 SER A 312
VAL A  17
SER A  16
ASP A 111
 None
 1.10A 1hwiB-3i3lA:
3.2		 1hwiB-3i3lA:
23.08
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.
3jb9 SMALL NUCLEAR
RIBONUCLEOPROTEIN F
SMALL NUCLEAR
RIBONUCLEOPROTEIN SM
D2

(Schizosaccharomyces
pombe) 		PF01423
(LSM) 		4 ARG I  66
SER G  64
ASN G  65
ASP G 104
 U  C 101 ( 3.1A)
None
U  C 101 ( 3.2A)
U  C 101 ( 3.0A)
 1.17A 1hwiB-3jb9I:
undetectable		 1hwiB-3jb9I:
10.75
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.
3mkh NITROALKANE OXIDASE

(Podospora
anserina) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		4 SER A 135
ASN A 402
ASP A 399
LYS A 356
 FAD  A 500 (-2.6A)
None
None
None
 1.12A 1hwiB-3mkhA:
undetectable		 1hwiB-3mkhA:
20.84
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.
3mzv DECAPRENYL
DIPHOSPHATE SYNTHASE

(Rhodobacter
capsulatus) 		PF00348
(polyprenyl_synt) 		4 VAL A 120
SER A 117
ASN A 114
ASP A  94
 None
 1.15A 1hwiB-3mzvA:
undetectable		 1hwiB-3mzvA:
23.08
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.
3na6 SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Ruegeria sp.
TM1040) 		PF04952
(AstE_AspA) 		4 VAL A 248
SER A 247
ASN A 178
LYS A 226
 None
 1.15A 1hwiB-3na6A:
undetectable		 1hwiB-3na6A:
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.
3oqc UFM1-SPECIFIC
PROTEASE 2

(Mus musculus) 		PF07910
(Peptidase_C78) 		4 SER A 298
VAL A 348
SER A 345
ASN A 451
 None
 1.20A 1hwiB-3oqcA:
undetectable		 1hwiB-3oqcA:
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.
3otn SUSD SUPERFAMILY
PROTEIN

(Parabacteroides
distasonis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 SER A 375
VAL A 289
SER A 288
ASN A  67
 None
 1.15A 1hwiB-3otnA:
undetectable		 1hwiB-3otnA:
22.81
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 106
VAL A 143
SER A 144
ASN A 157
 None
 1.21A 1hwiB-3oytA:
undetectable		 1hwiB-3oytA:
22.85
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.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 SER A 192
VAL A 164
SER A 165
ASP A 110
 ETQ  A1200 (-3.3A)
None
None
ETQ  A1200 (-3.5A)
 1.01A 1hwiB-3pblA:
undetectable		 1hwiB-3pblA:
22.81
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		4 SER A 278
VAL A 282
ASP A 251
LYS A  39
 None
 1.23A 1hwiB-3q1yA:
undetectable		 1hwiB-3q1yA:
22.48
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.
3rhg PUTATIVE
PHOPHOTRIESTERASE

(Proteus
mirabilis) 		PF02126
(PTE) 		4 SER A  31
VAL A  34
ASP A  67
LYS A  49
 None
 1.19A 1hwiB-3rhgA:
undetectable		 1hwiB-3rhgA:
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.
3slt SERINE PROTEASE ESPP

(Escherichia
coli) 		PF03797
(Autotransporter) 		4 SER A1102
VAL A1126
SER A1148
ASP A1014
 None
 1.24A 1hwiB-3sltA:
undetectable		 1hwiB-3sltA:
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.
3t5q NUCLEOPROTEIN

(Mopeia Lassa
virus
reassortant 29) 		PF00843
(Arena_nucleocap) 		4 ARG A 221
SER A 217
ASN A 215
LYS A 212
 None
None
A  C   8 ( 4.1A)
None
 1.19A 1hwiB-3t5qA:
undetectable		 1hwiB-3t5qA:
21.82
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.
3wd8 TYPE III POLYKETIDE
SYNTHASE QUINOLONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 VAL A 342
SER A 341
ASN A 336
ASP A 192
 None
 1.21A 1hwiB-3wd8A:
undetectable		 1hwiB-3wd8A:
24.46
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.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 VAL A 111
SER A 108
ASN A 105
ASP A  85
 None
 1.12A 1hwiB-3wjoA:
undetectable		 1hwiB-3wjoA:
23.00
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.
4ae0 DIPHTHERIA TOXIN

(Corynebacterium
diphtheriae) 		PF01324
(Diphtheria_R)
PF02763
(Diphtheria_C)
PF02764
(Diphtheria_T) 		4 SER A 137
VAL A  91
SER A  11
ASP A   7
 None
 1.25A 1hwiB-4ae0A:
undetectable		 1hwiB-4ae0A:
24.11
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		4 ARG A 177
SER A 249
ASP A 251
LYS A 254
 None
 1.18A 1hwiB-4c4aA:
undetectable		 1hwiB-4c4aA:
20.55
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.
4c95 DNA POLYMERASE
ALPHA-BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF12341
(Mcl1_mid) 		4 SER A 637
VAL A 628
SER A 627
LYS A 648
 None
 1.17A 1hwiB-4c95A:
undetectable		 1hwiB-4c95A:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d3d IMINE REDUCTASE

(Bacillus cereus) 		PF03446
(NAD_binding_2) 		4 SER A 112
ASN A 110
ASP A 114
LYS A 118
 None
 1.25A 1hwiB-4d3dA:
undetectable		 1hwiB-4d3dA:
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.
4d7q RALF,
PROLINE/BETAINE
TRANSPORTER

(Legionella
pneumophila;
Rickettsia
prowazekii) 		PF01369
(Sec7) 		4 VAL A 126
SER A 127
ASN A 171
ASP A 130
 None
None
None
PEG  A1354 (-3.5A)
 1.16A 1hwiB-4d7qA:
1.7		 1hwiB-4d7qA:
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.
4dpy MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Staphylococcus
epidermidis) 		PF00288
(GHMP_kinases_N) 		4 SER A 143
SER A  33
ASN A  31
LYS A  21
 None
2P0  A 401 ( 4.8A)
None
2P0  A 401 (-2.6A)
 1.22A 1hwiB-4dpyA:
3.3		 1hwiB-4dpyA:
22.15
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.
4ezg PUTATIVE
UNCHARACTERIZED
PROTEIN

(Listeria
monocytogenes) 		no annotation 4 SER A 150
SER A 172
ASN A 193
ASP A 146
 None
 1.27A 1hwiB-4ezgA:
undetectable		 1hwiB-4ezgA:
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.
4f3v ESX-1 SECRETION
SYSTEM PROTEIN ECCA1

(Mycobacterium
tuberculosis) 		no annotation 4 SER A  71
SER A   7
ASP A   3
LYS A  -1
 None
 1.19A 1hwiB-4f3vA:
undetectable		 1hwiB-4f3vA:
20.59
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		4 ARG A 154
SER A 157
ASN A 115
ASP A 111
 None
 1.01A 1hwiB-4hvlA:
undetectable		 1hwiB-4hvlA:
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		4 ARG A 154
SER A 157
SER A 118
ASP A 111
 None
 1.27A 1hwiB-4hvlA:
undetectable		 1hwiB-4hvlA:
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.
4jmp C-TERMINAL FRAGMENT
OF CAPA, PROTEIN
TYROSINE KINASE

(Staphylococcus
aureus) 		PF01656
(CbiA) 		4 SER A1048
SER A1056
ASP A1079
LYS A1082
 None
 1.17A 1hwiB-4jmpA:
undetectable		 1hwiB-4jmpA:
19.57
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.
4jxy TRANS-HEXAPRENYLTRAN
STRANSFERASE

(Pseudoalteromonas
atlantica) 		PF00348
(polyprenyl_synt) 		4 VAL A 111
SER A 108
ASN A 105
ASP A  85
 None
 1.15A 1hwiB-4jxyA:
undetectable		 1hwiB-4jxyA:
23.59
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.
4kd5 ABC-TYPE TRANSPORT
SYSTEM,
MOLYBDENUM-SPECIFIC
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Clostridioides
difficile) 		no annotation 4 SER C 130
VAL C 136
SER C 135
ASP C 133
 None
 1.23A 1hwiB-4kd5C:
undetectable		 1hwiB-4kd5C:
19.75
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		4 ARG A 154
SER A 157
ASN A 115
ASP A 111
 None
 1.03A 1hwiB-4kpgA:
undetectable		 1hwiB-4kpgA:
22.82
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.
4l3f INTERNALIN K

(Listeria
monocytogenes) 		no annotation 4 SER A 157
SER A 179
ASN A 200
ASP A 153
 None
 1.24A 1hwiB-4l3fA:
undetectable		 1hwiB-4l3fA:
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.
4l8k PUTATIVE PEPTIDASE

(Parabacteroides
merdae) 		PF03572
(Peptidase_S41)
PF14684
(Tricorn_C1) 		4 ARG A 189
SER A 222
ASN A 154
ASP A 156
 None
 1.07A 1hwiB-4l8kA:
undetectable		 1hwiB-4l8kA:
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 VAL A 322
SER A 323
ASN A 962
ASP A 325
 None
 0.98A 1hwiB-4lglA:
undetectable		 1hwiB-4lglA:
20.94
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		4 ARG A 105
SER A 102
SER A  75
LYS A  46
 PLP  A 403 ( 4.9A)
None
CYS  A 401 ( 2.6A)
PLP  A 403 ( 1.4A)
 1.02A 1hwiB-4lmbA:
undetectable		 1hwiB-4lmbA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		4 ARG A 154
SER A 157
ASN A 115
ASP A 111
 None
 1.17A 1hwiB-4m1zA:
undetectable		 1hwiB-4m1zA:
23.05
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.
4m8r HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF16023
(DUF4784) 		4 SER A 439
VAL A 176
SER A 175
ASP A 280
 None
 1.06A 1hwiB-4m8rA:
undetectable		 1hwiB-4m8rA:
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.
4nx8 PROTEIN-TYROSINE
PHOSPHATASE 2

(Bdellovibrio
bacteriovorus) 		PF14566
(PTPlike_phytase) 		4 ARG A 212
VAL A 175
ASN A 123
ASP A 120
 None
 1.24A 1hwiB-4nx8A:
undetectable		 1hwiB-4nx8A:
20.69
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.
4q62 LEUCINE-RICH
REPEAT-AND COILED
COIL-CONTAINING
PROTEIN

(Legionella
pneumophila) 		PF13855
(LRR_8) 		4 SER A  90
SER A  64
ASP A  38
LYS A   7
 None
 1.24A 1hwiB-4q62A:
undetectable		 1hwiB-4q62A:
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.
4ui9 CELL DIVISION CYCLE
PROTEIN 23 HOMOLOG

(Homo sapiens) 		PF04049
(ANAPC8)
PF13181
(TPR_8)
PF13414
(TPR_11) 		4 SER C 262
VAL C 266
SER C 267
ASN C 299
 None
 1.05A 1hwiB-4ui9C:
undetectable		 1hwiB-4ui9C:
22.04
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.
4uta BROADLY NEUTRALIZING
HUMAN ANTIBODY EDE1
C8 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H   7
VAL H   5
SER H  23
ASN H  77
 None
 1.26A 1hwiB-4utaH:
undetectable		 1hwiB-4utaH:
19.38
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		4 ARG A  22
VAL A 186
SER A 187
ASN A 194
 None
 1.08A 1hwiB-4uw2A:
2.8		 1hwiB-4uw2A:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v2d FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 2

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		4 ARG A 239
VAL A 238
ASN A 214
LYS A 168
 None
 1.21A 1hwiB-4v2dA:
undetectable		 1hwiB-4v2dA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgt FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		4 ARG A1095
SER A1092
SER A1100
ASN A1102
 None
 1.12A 1hwiB-4xgtA:
undetectable		 1hwiB-4xgtA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 104
VAL A 140
SER A 141
ASN A 154
 None
 1.25A 1hwiB-4xoxA:
undetectable		 1hwiB-4xoxA:
25.25
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.
4yii ANAPHASE-PROMOTING
COMPLEX SUBUNIT 2

(Homo sapiens) 		PF08672
(ANAPC2) 		4 ARG A 816
SER A 767
VAL A 814
SER A 811
 None
 1.22A 1hwiB-4yiiA:
undetectable		 1hwiB-4yiiA:
9.76
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.
4z8z UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 4 ARG A  28
SER A 235
ASP A 231
LYS A 227
 None
 1.20A 1hwiB-4z8zA:
1.2		 1hwiB-4z8zA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zg8 ENDOGLUCANASE

(Perinereis
brevicirris) 		PF00759
(Glyco_hydro_9) 		4 SER A 305
SER A 412
ASN A 404
ASP A 398
 None
 1.05A 1hwiB-4zg8A:
undetectable		 1hwiB-4zg8A:
22.11
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		4 ARG A 388
VAL A 385
SER A 383
ASP A 206
 None
 0.87A 1hwiB-4zxzA:
undetectable		 1hwiB-4zxzA:
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 2

(Homo sapiens) 		PF00888
(Cullin)
PF08672
(ANAPC2) 		4 ARG N 816
SER N 767
VAL N 814
SER N 811
 None
 1.22A 1hwiB-5a31N:
undetectable		 1hwiB-5a31N:
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.
5ew5 COLICIN-E9

(Escherichia
coli) 		PF03515
(Cloacin) 		4 VAL A 199
SER A 198
ASN A 196
ASP A 188
 None
 1.24A 1hwiB-5ew5A:
undetectable		 1hwiB-5ew5A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 VAL A 207
ASN A 313
ASP A 220
LYS A 223
 None
 1.24A 1hwiB-5f75A:
undetectable		 1hwiB-5f75A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gyy S-RECEPTOR KINASE
SRK9

(Brassica rapa) 		PF00954
(S_locus_glycop)
PF01453
(B_lectin)
PF08276
(PAN_2) 		4 SER A  70
VAL A  75
SER A  86
ASN A  88
 None
 1.23A 1hwiB-5gyyA:
undetectable		 1hwiB-5gyyA:
23.20
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.
5li4 TAIL SHEATH PROTEIN

(Staphylococcus
phage 812) 		no annotation 4 ARG A 560
SER A 577
VAL A 579
ASN A 557
 None
 1.18A 1hwiB-5li4A:
undetectable		 1hwiB-5li4A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 SER A 422
SER A 563
ASP A 590
LYS A 591
 None
 1.26A 1hwiB-5mdnA:
3.1		 1hwiB-5mdnA:
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.
5o9c OSMOPORIN OMP36

(Klebsiella
aerogenes) 		no annotation 4 SER C  28
SER C 341
ASN C 327
LYS C 325
 None
 1.25A 1hwiB-5o9cC:
undetectable		 1hwiB-5o9cC:
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.
5oex -

(-) 		no annotation 4 VAL A 207
ASN A 313
ASP A 220
LYS A 223
 None
 1.25A 1hwiB-5oexA:
undetectable		 1hwiB-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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 SER A 716
VAL A 436
SER A 435
ASN A 507
 None
 1.17A 1hwiB-5okoA:
undetectable		 1hwiB-5okoA:
22.67
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 ARG A 558
ASN A 563
ASP A 608
LYS A 566
 None
 1.24A 1hwiB-5ot1A:
undetectable		 1hwiB-5ot1A:
13.95
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.
5vis DIHYDROPTEROATE
SYNTHASE

(soil metagenome) 		PF00809
(Pterin_bind) 		4 ARG A 249
SER A 211
ASN A  11
ASP A  86
 None
 1.21A 1hwiB-5visA:
undetectable		 1hwiB-5visA:
22.15
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.
5wx4 ALKYLQUINOLONE
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 VAL A 348
SER A 347
ASN A 342
ASP A 198
 None
 1.22A 1hwiB-5wx4A:
undetectable		 1hwiB-5wx4A:
23.93
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.
5y3t E3 UBIQUITIN-PROTEIN
LIGASE RNF31
SHARPIN

(Mus musculus) 		no annotation 4 ARG B 479
SER C 233
ASP B 476
LYS B 473
 None
 1.21A 1hwiB-5y3tB:
undetectable		 1hwiB-5y3tB:
10.92
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.
5ypz COFB

(Escherichia
coli) 		no annotation 4 VAL A 416
SER A 417
ASN A 421
ASP A 419
 None
 1.25A 1hwiB-5ypzA:
undetectable		 1hwiB-5ypzA:
11.47
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.
5zqj BETA-XYLOSIDASE

(Bacillus
pumilus) 		no annotation 4 SER A  29
VAL A  72
ASN A 103
ASP A 127
 GOL  A 601 ( 4.7A)
None
None
GOL  A 601 (-3.4A)
 1.22A 1hwiB-5zqjA:
undetectable		 1hwiB-5zqjA:
9.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6az6 GNTR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		no annotation 4 VAL A 109
SER A 154
ASN A 156
ASP A 160
 None
 1.17A 1hwiB-6az6A:
1.4		 1hwiB-6az6A:
12.44
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.
6f1j -

(-) 		no annotation 4 ARG A 240
SER A 256
ASN A 208
ASP A 205
 None
 1.22A 1hwiB-6f1jA:
undetectable		 1hwiB-6f1jA:
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 4 VAL A 619
SER A 616
ASN A 613
ASP A 373
 None
 1.20A 1hwiB-6fbtA:
undetectable		 1hwiB-6fbtA:
10.71