SIMILAR PATTERNS OF AMINO ACIDS FOR 1HWI_B_115B1_1

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