SIMILAR PATTERNS OF AMINO ACIDS FOR 1HWK_C_117C4

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.
1b7g PROTEIN
(GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE)

(Sulfolobus
solfataricus) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 ARG O 135
SER O 118
VAL O 137
ASN O  87
 SO4  O 611 ( 4.1A)
None
None
None
 1.25A 1hwkC-1b7gO:
undetectable		 1hwkC-1b7gO:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dtp DIPHTHERIA TOXIN

(Corynephage
beta) 		PF02763
(Diphtheria_C) 		4 SER A 137
VAL A  91
SER A  11
ASP A   7
 None
 1.22A 1hwkC-1dtpA:
0.0		 1hwkC-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.
1e9y UREASE SUBUNIT ALPHA
UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 ARG B  22
VAL A 107
ASP B  27
LYS B 385
 None
 1.21A 1hwkC-1e9yB:
0.0		 1hwkC-1e9yB:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ex9 LACTONIZING LIPASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		4 ARG A 274
ASN A 278
ASP A  38
LYS A   1
 None
 1.05A 1hwkC-1ex9A:
0.0		 1hwkC-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.
1hm6 ANNEXIN 1

(Sus scrofa) 		PF00191
(Annexin) 		4 SER A 244
VAL A   4
SER A   5
ASP A 247
 None
 1.25A 1hwkC-1hm6A:
undetectable		 1hwkC-1hm6A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hxh 3BETA/17BETA-HYDROXY
STEROID
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13561
(adh_short_C2) 		4 ARG A 177
SER A 132
SER A 235
ASP A 232
 None
 1.25A 1hwkC-1hxhA:
undetectable		 1hwkC-1hxhA:
20.26
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.
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 1hwkC-1i8qA:
undetectable		 1hwkC-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.
1ifg ECOTIN

(Escherichia
coli) 		PF03974
(Ecotin) 		4 SER A  79
VAL A  81
SER A  82
ASN A  51
 None
 1.22A 1hwkC-1ifgA:
undetectable		 1hwkC-1ifgA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 1hwkC-1nfdE:
undetectable		 1hwkC-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.
1p0z SENSOR KINASE CITA

(Klebsiella
pneumoniae) 		PF17203
(sCache_3_2) 		4 ARG A 107
SER A 105
VAL A  97
SER A  96
 OMO  A1631 ( 2.9A)
None
None
None
 1.25A 1hwkC-1p0zA:
undetectable		 1hwkC-1p0zA:
15.44
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.
1t6p PHENYLALANINE
AMMONIA-LYASE

(Rhodotorula
toruloides) 		PF00221
(Lyase_aromatic) 		4 ARG A  80
SER A  58
SER A  74
ASP A  71
 None
 1.17A 1hwkC-1t6pA:
undetectable		 1hwkC-1t6pA:
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.
1ti8 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 SER A 216
VAL A 214
ASP A 231
LYS A 101
 None
 1.21A 1hwkC-1ti8A:
undetectable		 1hwkC-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 1hwkC-1tjyA:
undetectable		 1hwkC-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
 1.15A 1hwkC-1twbA:
undetectable		 1hwkC-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
 0.97A 1hwkC-1ur4A:
undetectable		 1hwkC-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
 1.23A 1hwkC-1urjA:
undetectable		 1hwkC-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)
 1.07A 1hwkC-1vkoA:
undetectable		 1hwkC-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.
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
 1.24A 1hwkC-1yifA:
undetectable		 1hwkC-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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		4 ARG A  24
SER A  20
VAL A 359
ASP A  31
 None
 1.18A 1hwkC-2bb0A:
undetectable		 1hwkC-2bb0A:
23.39
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.
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)
 1.20A 1hwkC-2c20A:
undetectable		 1hwkC-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.
2crm FIBRONECTIN TYPE-III
DOMAIN CONTAINING
PROTEIN 3A

(Homo sapiens) 		PF00041
(fn3) 		4 ARG A  89
SER A 106
SER A  61
ASN A  62
 None
 0.91A 1hwkC-2crmA:
undetectable		 1hwkC-2crmA:
13.26
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.
2exh BETA-D-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43) 		4 SER A  30
VAL A  73
ASN A 104
ASP A 128
 None
 1.24A 1hwkC-2exhA:
undetectable		 1hwkC-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.
2hk3 DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 SER A 143
SER A  33
ASN A  31
LYS A  21
 None
 1.18A 1hwkC-2hk3A:
1.9		 1hwkC-2hk3A:
21.28
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)
 0.18A 1hwkC-2r4fA:
41.0		 1hwkC-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
 1.16A 1hwkC-2rfaA:
undetectable		 1hwkC-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.
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)
 1.17A 1hwkC-2vdtA:
undetectable		 1hwkC-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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		4 SER A 160
VAL A 245
SER A 246
ASN A 248
 None
 1.24A 1hwkC-2wu8A:
undetectable		 1hwkC-2wu8A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 1hwkC-2ycbA:
undetectable		 1hwkC-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 1hwkC-2yq4A:
undetectable		 1hwkC-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 1hwkC-2z95A:
undetectable		 1hwkC-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
 1.09A 1hwkC-2zomA:
3.2		 1hwkC-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
 1.25A 1hwkC-2zviA:
2.5		 1hwkC-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
 1.23A 1hwkC-3a9sA:
undetectable		 1hwkC-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.
3e3c L0044

(Escherichia
coli) 		PF16518
(GrlR) 		4 ARG A  -2
VAL A  -4
SER A  81
LYS A   4
 None
 1.20A 1hwkC-3e3cA:
undetectable		 1hwkC-3e3cA:
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.
3flo DNA POLYMERASE ALPHA
SUBUNIT B

(Saccharomyces
cerevisiae) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		4 SER A 304
SER A 315
ASN A 312
ASP A 308
 None
 1.17A 1hwkC-3floA:
undetectable		 1hwkC-3floA:
24.18
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.
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
 1.07A 1hwkC-3gdeA:
undetectable		 1hwkC-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
 1.05A 1hwkC-3i3lA:
3.2		 1hwkC-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)
 1.15A 1hwkC-3jb9I:
undetectable		 1hwkC-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.
3m2p UDP-N-ACETYLGLUCOSAM
INE 4-EPIMERASE

(Bacillus cereus) 		PF01370
(Epimerase) 		4 SER A  19
VAL A 207
SER A 206
ASP A 202
 None
 1.25A 1hwkC-3m2pA:
undetectable		 1hwkC-3m2pA:
21.02
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.
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
 1.05A 1hwkC-3mkhA:
undetectable		 1hwkC-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
 1.17A 1hwkC-3mzvA:
undetectable		 1hwkC-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.
3oqc UFM1-SPECIFIC
PROTEASE 2

(Mus musculus) 		PF07910
(Peptidase_C78) 		4 SER A 298
VAL A 348
SER A 345
ASN A 451
 None
 1.18A 1hwkC-3oqcA:
undetectable		 1hwkC-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
 1.14A 1hwkC-3otnA:
undetectable		 1hwkC-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
 1.15A 1hwkC-3oytA:
undetectable		 1hwkC-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)
 0.98A 1hwkC-3pblA:
undetectable		 1hwkC-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.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 SER A 196
VAL A 164
SER A 165
ASP A 110
 ETQ  A1200 ( 4.6A)
None
None
ETQ  A1200 (-3.5A)
 1.24A 1hwkC-3pblA:
undetectable		 1hwkC-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 1hwkC-3q1yA:
undetectable		 1hwkC-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
 1.20A 1hwkC-3rhgA:
undetectable		 1hwkC-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
 1.21A 1hwkC-3sltA:
undetectable		 1hwkC-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
 1.17A 1hwkC-3t5qA:
undetectable		 1hwkC-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
 1.23A 1hwkC-3wd8A:
undetectable		 1hwkC-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.
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
 1.26A 1hwkC-4ae0A:
1.8		 1hwkC-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.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 4 SER A 193
VAL A 328
SER A 329
ASP A 188
 None
 1.15A 1hwkC-4btgA:
undetectable		 1hwkC-4btgA:
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		4 ARG A 177
SER A 249
ASP A 251
LYS A 254
 None
 1.20A 1hwkC-4c4aA:
undetectable		 1hwkC-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 1hwkC-4c95A:
undetectable		 1hwkC-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.
4cbx ACTIN-2

(Plasmodium
berghei) 		PF00022
(Actin) 		4 ARG A 147
SER A 145
VAL A 299
ASN A 296
 None
None
None
NA  A1377 (-3.1A)
 1.20A 1hwkC-4cbxA:
undetectable		 1hwkC-4cbxA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d3d IMINE REDUCTASE

(Bacillus cereus) 		PF03446
(NAD_binding_2) 		4 SER A 112
ASN A 110
ASP A 114
LYS A 118
 None
 1.26A 1hwkC-4d3dA:
undetectable		 1hwkC-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)
 1.13A 1hwkC-4d7qA:
1.8		 1hwkC-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)
 1.25A 1hwkC-4dpyA:
3.3		 1hwkC-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.
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
 1.17A 1hwkC-4f3vA:
undetectable		 1hwkC-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
 0.88A 1hwkC-4hvlA:
undetectable		 1hwkC-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
 1.24A 1hwkC-4hvlA:
undetectable		 1hwkC-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
 1.22A 1hwkC-4jmpA:
undetectable		 1hwkC-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
 1.16A 1hwkC-4jxyA:
undetectable		 1hwkC-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
 1.21A 1hwkC-4kd5C:
undetectable		 1hwkC-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
 0.92A 1hwkC-4kpgA:
undetectable		 1hwkC-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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		4 ARG A 154
SER A 157
SER A 118
ASP A 111
 None
 1.25A 1hwkC-4kpgA:
undetectable		 1hwkC-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.
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
 1.19A 1hwkC-4l8kA:
undetectable		 1hwkC-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 1hwkC-4lglA:
1.9		 1hwkC-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)
 1.04A 1hwkC-4lmbA:
undetectable		 1hwkC-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
 1.01A 1hwkC-4m1zA:
undetectable		 1hwkC-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
 1.03A 1hwkC-4m8rA:
undetectable		 1hwkC-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.
4npl RNA DEMETHYLASE
ALKBH5

(Danio rerio) 		PF13532
(2OG-FeII_Oxy_2) 		4 ARG A 208
SER A 150
VAL A 179
SER A 155
 AKG  A 301 (-3.0A)
AKG  A 301 ( 4.8A)
None
None
 1.16A 1hwkC-4nplA:
undetectable		 1hwkC-4nplA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.03A 1hwkC-4ui9C:
undetectable		 1hwkC-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.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		4 SER A 184
VAL A 500
SER A 501
ASP A 367
 None
 1.06A 1hwkC-4wisA:
3.1		 1hwkC-4wisA:
21.47
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.
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
 1.05A 1hwkC-4xgtA:
undetectable		 1hwkC-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
 1.19A 1hwkC-4xoxA:
undetectable		 1hwkC-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.
4zg8 ENDOGLUCANASE

(Perinereis
brevicirris) 		PF00759
(Glyco_hydro_9) 		4 SER A 305
SER A 412
ASN A 404
ASP A 398
 None
 1.06A 1hwkC-4zg8A:
undetectable		 1hwkC-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.
4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF02350
(Epimerase_2) 		4 ARG A 325
SER A 139
SER A 302
LYS A  24
 None
None
UDP  A 501 (-2.5A)
UDP  A 501 (-3.1A)
 1.22A 1hwkC-4zhtA:
undetectable		 1hwkC-4zhtA:
21.05
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		4 ARG A 388
VAL A 385
SER A 383
ASP A 206
 None
 0.94A 1hwkC-4zxzA:
undetectable		 1hwkC-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.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		4 VAL A 120
SER A 121
ASN A 102
ASP A 123
 None
 1.05A 1hwkC-5bxyA:
undetectable		 1hwkC-5bxyA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dwf PEPTIDOGLYCAN
RECOGNITION PROTEIN
1

(Camelus
dromedarius) 		PF01510
(Amidase_2) 		4 ARG A  62
VAL A  61
SER A  58
ASN A  55
 None
 1.12A 1hwkC-5dwfA:
undetectable		 1hwkC-5dwfA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ew5 COLICIN-E9

(Escherichia
coli) 		PF03515
(Cloacin) 		4 VAL A 199
SER A 198
ASN A 196
ASP A 188
 None
 1.21A 1hwkC-5ew5A:
undetectable		 1hwkC-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
 1.25A 1hwkC-5f75A:
undetectable		 1hwkC-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 1hwkC-5gyyA:
undetectable		 1hwkC-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.
5ii6 ZONA PELLUCIDA
SPERM-BINDING
PROTEIN 2

(Mus musculus) 		no annotation 4 ARG A  57
VAL A  94
ASP A  52
LYS A  53
 None
 1.25A 1hwkC-5ii6A:
undetectable		 1hwkC-5ii6A:
16.09
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.
5li4 TAIL SHEATH PROTEIN

(Staphylococcus
phage 812) 		no annotation 4 ARG A 560
SER A 577
VAL A 579
ASN A 557
 None
 1.08A 1hwkC-5li4A:
undetectable		 1hwkC-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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN12
26S PROTEASOME
REGULATORY SUBUNIT
RPN3
26S PROTEASOME
REGULATORY SUBUNIT
RPN9

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF08375
(Rpn3_C)
PF10075
(CSN8_PSD8_EIF3K) 		4 SER O 390
SER T 269
ASN S 469
ASP T 265
 None
 1.23A 1hwkC-5mpdO:
undetectable		 1hwkC-5mpdO:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 4 SER A 506
VAL A 290
ASN A 313
ASP A 285
 None
 1.07A 1hwkC-5mu5A:
undetectable		 1hwkC-5mu5A:
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.
5oex -

(-) 		no annotation 4 VAL A 207
ASN A 313
ASP A 220
LYS A 223
 None
 1.26A 1hwkC-5oexA:
undetectable		 1hwkC-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
 1.23A 1hwkC-5okoA:
undetectable		 1hwkC-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
 1.11A 1hwkC-5ot1A:
undetectable		 1hwkC-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.
5u65 VHH-5

(Camelus
dromedarius) 		PF07686
(V-set) 		4 ARG A  35
SER A  50
SER A  95
ASN A 100
 None
 1.16A 1hwkC-5u65A:
undetectable		 1hwkC-5u65A:
17.26
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.
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
 1.24A 1hwkC-5wx4A:
undetectable		 1hwkC-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
 1.13A 1hwkC-5y3tB:
undetectable		 1hwkC-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.
5z5c CYSTEINE SYNTHASE

(Fusobacterium
nucleatum) 		no annotation 4 ARG A 104
SER A 101
SER A  74
LYS A  46
 MLY  A 303 ( 4.0A)
MLY  A 303 ( 2.7A)
CL  A 402 (-2.9A)
PLP  A 401 ( 1.3A)
 1.04A 1hwkC-5z5cA:
undetectable		 1hwkC-5z5cA:
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.
5zqj BETA-XYLOSIDASE

(Bacillus
pumilus) 		no annotation 5 SER A  29
VAL A  72
SER A  89
ASN A 103
ASP A 127
 GOL  A 601 ( 4.7A)
None
None
None
GOL  A 601 (-3.4A)
 1.23A 1hwkC-5zqjA:
undetectable		 1hwkC-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
 1.16A 1hwkC-6az6A:
1.6		 1hwkC-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
 1.23A 1hwkC-6f1jA:
undetectable		 1hwkC-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
 1.21A 1hwkC-6fbtA:
undetectable		 1hwkC-6fbtA:
10.71
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.
1eb6 NEUTRAL PROTEASE II

(Aspergillus
oryzae) 		PF02102
(Peptidase_M35) 		5 ASN A  79
SER A  13
LEU A  14
ALA A  17
LEU A  18
 None
EDO  A1178 (-3.6A)
None
None
None
 1.25A 1hwkD-1eb6A:
0.0		 1hwkD-1eb6A:
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.
1id1 PUTATIVE POTASSIUM
CHANNEL PROTEIN

(Escherichia
coli) 		PF02254
(TrkA_N) 		5 SER A  14
ASN A  19
LEU A  16
ALA A 106
LEU A 125
 None
 1.40A 1hwkD-1id1A:
0.0		 1hwkD-1id1A:
17.15
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.
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 1hwkD-1q5dA:
0.0		 1hwkD-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.
1uc8 LYSINE BIOSYNTHESIS
ENZYME

(Thermus
thermophilus) 		PF08443
(RimK) 		5 GLU A  13
CYH A  56
LEU A  53
ALA A  52
LEU A   2
 None
 1.33A 1hwkD-1uc8A:
0.0		 1hwkD-1uc8A:
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.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 CYH A 356
HIS A 105
SER A  98
ALA A 241
LEU A 238
 HEM  A1430 (-2.4A)
HEM  A1430 (-3.9A)
PG4  A4502 ( 3.6A)
PG4  A4502 (-4.3A)
None
 1.29A 1hwkD-1uedA:
0.0		 1hwkD-1uedA:
20.53
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.
1w6f ARYLAMINE
N-ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF00797
(Acetyltransf_2) 		5 ARG A 123
ASN A 111
SER A 114
LEU A 113
LEU A  81
 None
 1.24A 1hwkD-1w6fA:
0.0		 1hwkD-1w6fA:
21.50
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
 0.88A 1hwkD-1ydoA:
0.0		 1hwkD-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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 CYH A 564
HIS A 553
SER A 570
LEU A 580
LEU A 578
 None
 1.44A 1hwkD-2f5vA:
0.0		 1hwkD-2f5vA:
19.90
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 GLU A  70
SER A  35
SER A  37
LEU A  63
LEU A  41
 None
 1.46A 1hwkD-2fafA:
undetectable		 1hwkD-2fafA:
22.12
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.
2kra PROKINETICIN BV8

(Bombina
variegata) 		PF06607
(Prokineticin) 		5 ARG A  26
HIS A  42
SER A  57
LEU A  58
ALA A  23
 None
 1.20A 1hwkD-2kraA:
undetectable		 1hwkD-2kraA:
11.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		5 HIS A 632
ASN A 634
SER A 602
LEU A 603
LEU A 543
 None
 1.32A 1hwkD-2oajA:
undetectable		 1hwkD-2oajA:
19.59
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) 		11 GLU A 559
CYH A 561
SER A 565
ARG A 568
LYS A 735
HIS A 752
ASN A 755
SER A 852
LEU A 853
ALA A 856
LEU A 857
 None
 0.18A 1hwkD-2r4fA:
41.1		 1hwkD-2r4fA:
95.81
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) 		6 SER A 565
ARG A 568
LYS A 735
HIS A 752
SER A 852
ALA A 855
 None
 1.45A 1hwkD-2r4fA:
41.1		 1hwkD-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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 HIS A 303
ASN A 310
SER A 165
ALA A 163
LEU A 339
 None
 1.45A 1hwkD-2rjtA:
undetectable		 1hwkD-2rjtA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		5 SER A 225
SER A 191
LEU A 227
ALA A 119
LEU A 123
 None
 1.45A 1hwkD-3aarA:
undetectable		 1hwkD-3aarA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 CYH A 240
SER B 254
ASN A 255
SER B 249
ALA A 222
 None
 1.34A 1hwkD-3ayxA:
undetectable		 1hwkD-3ayxA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		5 ARG A 245
ASN A  98
SER A 380
LEU A 375
LEU A  83
 None
 1.30A 1hwkD-3bzmA:
0.5		 1hwkD-3bzmA:
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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		5 ASN A 354
SER A 357
LEU A 358
ALA A 361
LEU A 362
 None
PGE  A 471 (-4.8A)
PGE  A 471 ( 4.3A)
PGE  A 471 ( 3.9A)
None
 1.48A 1hwkD-3ij3A:
0.7		 1hwkD-3ij3A:
23.06
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.
3o6n APL1

(Anopheles
gambiae) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 ARG A 354
ASN A 369
LEU A 334
ALA A 335
LEU A 315
 None
 1.37A 1hwkD-3o6nA:
undetectable		 1hwkD-3o6nA:
22.00
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.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 GLU A 804
SER A 750
LEU A 751
ALA A 711
LEU A 707
 None
 1.45A 1hwkD-3p5pA:
undetectable		 1hwkD-3p5pA:
21.65
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.
3ue6 AUREOCHROME1

(Vaucheria
frigida) 		PF13426
(PAS_9) 		5 ASN A 312
SER A 207
LEU A 208
ALA A 211
LEU A 212
 None
 1.16A 1hwkD-3ue6A:
undetectable		 1hwkD-3ue6A:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d86 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		5 CYH A 849
SER A 838
LEU A 837
ALA A 834
LEU A 833
 None
None
None
None
ADP  A1201 (-3.9A)
 1.48A 1hwkD-4d86A:
undetectable		 1hwkD-4d86A:
22.95
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 GLU M  92
SER M 224
LEU M 226
ALA M 229
LEU M 230
 None
 1.14A 1hwkD-4heaM:
undetectable		 1hwkD-4heaM:
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.
4odm PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD

(Thermus
thermophilus) 		PF00254
(FKBP_C) 		5 GLU A  41
ARG A 136
HIS A  33
LEU A  30
ALA A 148
 None
ACT  A 202 (-4.0A)
None
None
CL  A 201 (-4.0A)
 1.48A 1hwkD-4odmA:
undetectable		 1hwkD-4odmA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 CYH A 385
HIS A 411
SER A 336
LEU A 337
ALA A 340
 None
 1.32A 1hwkD-4pj3A:
undetectable		 1hwkD-4pj3A:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uuc ANKYRIN REPEAT AND
SOCS BOX PROTEIN 11

(Homo sapiens) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 SER A 100
ASN A 137
LEU A 102
ALA A 122
LEU A 118
 None
 1.13A 1hwkD-4uucA:
undetectable		 1hwkD-4uucA:
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 GLU A 295
SER A 317
LEU A 191
ALA A 319
LEU A 189
 None
 1.09A 1hwkD-4uy6A:
undetectable		 1hwkD-4uy6A:
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.
5a01 O-GLYCOSYLTRANSFERAS
E

(Drosophila
melanogaster) 		PF13374
(TPR_10)
PF13414
(TPR_11)
PF13844
(Glyco_transf_41) 		5 ARG A 630
SER A 622
LEU A 621
ALA A 620
LEU A 643
 None
 1.38A 1hwkD-5a01A:
undetectable		 1hwkD-5a01A:
21.31
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.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 5 GLU B 110
SER B  80
LEU B 107
ALA B  78
LEU B  99
 None
 0.97A 1hwkD-5co4B:
undetectable		 1hwkD-5co4B:
16.81
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.
5ejj UFM1-SPECIFIC
PROTEASE

(Caenorhabditis
elegans) 		PF07910
(Peptidase_C78) 		5 GLU A 253
SER A 139
HIS A 314
LEU A 312
LEU A 305
 None
 1.46A 1hwkD-5ejjA:
undetectable		 1hwkD-5ejjA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.46A 1hwkD-5fmgI:
undetectable		 1hwkD-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.
5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3

(Rattus
norvegicus) 		PF12796
(Ank_2)
PF16511
(FERM_f0) 		5 ASN A 142
SER A 154
LEU A 153
ALA A 156
LEU A 166
 None
 1.44A 1hwkD-5g4xA:
undetectable		 1hwkD-5g4xA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.25A 1hwkD-5gmlA:
undetectable		 1hwkD-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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		5 GLU A 280
ARG A 180
LEU A 228
ALA A 225
LEU A 224
 None
 1.25A 1hwkD-5hmqA:
undetectable		 1hwkD-5hmqA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 ARG A 280
HIS A 354
SER A 317
LEU A 281
LEU A 327
 UDP  A 501 (-3.8A)
None
G6P  A 502 ( 4.3A)
None
None
 1.40A 1hwkD-5huuA:
undetectable		 1hwkD-5huuA:
22.16
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 ASN A 540
SER A 407
LEU A 408
ALA A 411
LEU A 412
 None
 1.49A 1hwkD-5l3dA:
undetectable		 1hwkD-5l3dA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		5 GLU A 719
ARG A1034
ASN A1023
LEU A1025
LEU A 956
 None
 1.45A 1hwkD-5mqsA:
undetectable		 1hwkD-5mqsA:
18.30
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.
5vrd BIFUNCTIONAL
COENZYME PQQ
SYNTHESIS PROTEIN
C/D

(Methylobacterium
extorquens) 		no annotation 5 ARG D  91
SER D 155
LEU D 156
ALA D 201
LEU D 202
 None
 1.37A 1hwkD-5vrdD:
undetectable		 1hwkD-5vrdD:
13.25
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		5 CYH A 174
SER A  79
LEU A  80
ALA A  83
LEU A  84
 None
 0.82A 1hwkD-5w70A:
undetectable		 1hwkD-5w70A:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6emg G0S4M2

(Chaetomium
thermophilum) 		no annotation 5 CYH A  71
HIS A  30
LEU A  26
ALA A  57
LEU A  14
 None
 1.47A 1hwkD-6emgA:
undetectable		 1hwkD-6emgA:
10.02