SIMILAR PATTERNS OF AMINO ACIDS FOR 5HPU_C_IPHC101

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.
1nuq FKSG76

(Homo sapiens) 		PF01467
(CTP_transf_like) 		4 CYH A 134
LEU A 139
HIS A 190
LEU A 162
 NXX  A 401 (-4.8A)
None
None
None
 1.11A 5hpuC-1nuqA:
undetectable
5hpuD-1nuqA:
undetectable		 5hpuC-1nuqA:
6.70
5hpuD-1nuqA:
6.77
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.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		4 CYH A 141
LEU A 150
HIS A 262
LEU A 265
 None
 1.07A 5hpuC-1r8gA:
undetectable
5hpuD-1r8gA:
undetectable		 5hpuC-1r8gA:
6.30
5hpuD-1r8gA:
6.76
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.
1t1h ARMADILLO REPEAT
CONTAINING PROTEIN

(Arabidopsis
thaliana) 		PF04564
(U-box) 		4 CYH A 289
LEU A 296
HIS A 286
LEU A 282
 None
 1.18A 5hpuC-1t1hA:
undetectable
5hpuD-1t1hA:
undetectable		 5hpuC-1t1hA:
15.38
5hpuD-1t1hA:
22.92
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.
1tlf LAC REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		4 CYH A 140
LEU A 122
HIS A 112
LEU A 115
 None
 1.03A 5hpuC-1tlfA:
undetectable
5hpuD-1tlfA:
undetectable		 5hpuC-1tlfA:
4.83
5hpuD-1tlfA:
7.81
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.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF04107
(GCS2) 		4 CYH A 141
LEU A 150
HIS A 262
LEU A 265
 None
 1.05A 5hpuC-1tt4A:
undetectable
5hpuD-1tt4A:
undetectable		 5hpuC-1tt4A:
4.82
5hpuD-1tt4A:
6.67
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.
1za0 POSSIBLE
ACYL-[ACYL-CARRIER
PROTEIN] DESATURASE
DESA2 (ACYL-[ACP]
DESATURASE)
(STEAROYL-ACP
DESATURASE)

(Mycobacterium
tuberculosis) 		PF03405
(FA_desaturase_2) 		4 CYH A  69
LEU A 178
HIS A 110
LEU A 114
 None
 1.16A 5hpuC-1za0A:
undetectable
5hpuD-1za0A:
undetectable		 5hpuC-1za0A:
5.95
5hpuD-1za0A:
9.49
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.
2eoo ZINC FINGER PROTEIN
95 HOMOLOG

(Homo sapiens) 		no annotation 4 CYH A  15
LEU A  32
HIS A  27
LEU A  28
 ZN  A 201 ( 2.2A)
None
None
None
 1.21A 5hpuC-2eooA:
undetectable
5hpuD-2eooA:
undetectable		 5hpuC-2eooA:
27.27
5hpuD-2eooA:
17.39
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.
2f4o PEPTIDE N-GLYCANASE

(Mus musculus) 		PF01841
(Transglut_core) 		4 CYH A 356
LEU A 227
HIS A 232
LEU A 231
 None
 1.08A 5hpuC-2f4oA:
undetectable
5hpuD-2f4oA:
undetectable		 5hpuC-2f4oA:
11.45
5hpuD-2f4oA:
8.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gdt LEADER PROTEIN
P65 HOMOLOG
NSP1 (EC 3.4.22.-)

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF11501
(Nsp1) 		4 LEU A  77
CYH A  40
HIS A  34
LEU A  96
 None
 1.11A 5hpuC-2gdtA:
undetectable
5hpuD-2gdtA:
undetectable		 5hpuC-2gdtA:
10.09
5hpuD-2gdtA:
15.38
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.
2h1r DIMETHYLADENOSINE
TRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00398
(RrnaAD) 		4 CYH A 194
LEU A 264
HIS A 203
LEU A 202
 None
 1.02A 5hpuC-2h1rA:
undetectable
5hpuD-2h1rA:
undetectable		 5hpuC-2h1rA:
7.94
5hpuD-2h1rA:
10.29
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.
2h56 DNA-3-METHYLADENINE
GLYCOSIDASE

(Bacillus
halodurans) 		PF00730
(HhH-GPD) 		4 CYH A 194
LEU A 153
HIS A 182
LEU A 179
 None
 0.87A 5hpuC-2h56A:
undetectable
5hpuD-2h56A:
undetectable		 5hpuC-2h56A:
6.09
5hpuD-2h56A:
9.57
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.
2h56 DNA-3-METHYLADENINE
GLYCOSIDASE

(Bacillus
halodurans) 		PF00730
(HhH-GPD) 		4 CYH A 194
LEU A 153
HIS A 182
LEU A 179
 None
 1.06A 5hpuC-2h56A:
undetectable
5hpuD-2h56A:
undetectable		 5hpuC-2h56A:
6.09
5hpuD-2h56A:
9.57
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.
2isn NYSGXRC-8828Z,
PHOSPHATASE

(Toxoplasma
gondii) 		PF00481
(PP2C) 		4 CYH A  84
LEU A  69
CYH A  61
HIS A  64
 None
 1.13A 5hpuC-2isnA:
undetectable
5hpuD-2isnA:
undetectable		 5hpuC-2isnA:
6.54
5hpuD-2isnA:
6.16
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.
2noz N-GLYCOSYLASE/DNA
LYASE

(Homo sapiens) 		PF00730
(HhH-GPD)
PF07934
(OGG_N) 		4 LEU A  35
CYH A  75
HIS A  74
LEU A  66
 None
 1.20A 5hpuC-2nozA:
undetectable
5hpuD-2nozA:
undetectable		 5hpuC-2nozA:
6.23
5hpuD-2nozA:
5.82
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		4 CYH A 130
LEU A 143
HIS A 125
LEU A 126
 None
 0.92A 5hpuC-2o3eA:
undetectable
5hpuD-2o3eA:
undetectable		 5hpuC-2o3eA:
3.38
5hpuD-2o3eA:
4.72
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.
2ooi SA0254 PROTEIN

(Staphylococcus
aureus) 		PF07702
(UTRA) 		4 CYH A 199
LEU A 183
HIS A 225
LEU A 191
 None
 1.07A 5hpuC-2ooiA:
undetectable
5hpuD-2ooiA:
undetectable		 5hpuC-2ooiA:
15.19
5hpuD-2ooiA:
19.81
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.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 CYH A 384
LEU A 308
HIS A 396
LEU A 300
 None
 1.02A 5hpuC-2p54A:
undetectable
5hpuD-2p54A:
undetectable		 5hpuC-2p54A:
5.66
5hpuD-2p54A:
10.00
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.
2q7s N-FORMYLGLUTAMATE
AMIDOHYDROLASE

(Cupriavidus
pinatubonensis) 		PF05013
(FGase) 		4 LEU A 206
CYH A  27
HIS A 167
LEU A 168
 None
 1.11A 5hpuC-2q7sA:
undetectable
5hpuD-2q7sA:
undetectable		 5hpuC-2q7sA:
6.67
5hpuD-2q7sA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		4 CYH A 361
LEU A 379
CYH A 388
LEU A 383
 None
 1.16A 5hpuC-2qezA:
undetectable
5hpuD-2qezA:
undetectable		 5hpuC-2qezA:
4.62
5hpuD-2qezA:
5.05
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.
2ve3 PUTATIVE CYTOCHROME
P450 120

(Synechocystis
sp. PCC 6803) 		PF00067
(p450) 		4 CYH A 267
LEU A 408
HIS A 441
LEU A 440
 None
 1.04A 5hpuC-2ve3A:
undetectable
5hpuD-2ve3A:
undetectable		 5hpuC-2ve3A:
4.84
5hpuD-2ve3A:
5.28
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.
2xal INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Arabidopsis
thaliana) 		PF06090
(Ins_P5_2-kin) 		4 CYH A 369
LEU A 408
HIS A 101
LEU A  97
 None
 0.90A 5hpuC-2xalA:
undetectable
5hpuD-2xalA:
undetectable		 5hpuC-2xalA:
4.15
5hpuD-2xalA:
6.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3

(Homo sapiens) 		PF01026
(TatD_DNase) 		4 LEU A  24
CYH A  13
HIS A  14
LEU A  15
 None
None
ZN  A1274 ( 3.3A)
None
 0.99A 5hpuC-2y1hA:
undetectable
5hpuD-2y1hA:
undetectable		 5hpuC-2y1hA:
5.51
5hpuD-2y1hA:
7.14
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.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		4 CYH A  29
LEU A 102
HIS A  26
LEU A  27
 None
 1.10A 5hpuC-3bjeA:
undetectable
5hpuD-3bjeA:
undetectable		 5hpuC-3bjeA:
4.79
5hpuD-3bjeA:
7.14
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		4 CYH A 542
LEU A 544
HIS A  48
LEU A  50
 None
 1.17A 5hpuC-3djaA:
undetectable
5hpuD-3djaA:
undetectable		 5hpuC-3djaA:
2.46
5hpuD-3djaA:
5.08
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.
3fdq MOTILITY GENE
REPRESSOR MOGR

(Listeria
monocytogenes) 		PF12181
(MogR_DNAbind) 		4 CYH A  83
LEU A  79
HIS A  47
LEU A  49
 None
 1.21A 5hpuC-3fdqA:
undetectable
5hpuD-3fdqA:
undetectable		 5hpuC-3fdqA:
13.86
5hpuD-3fdqA:
11.11
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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 CYH A 105
LEU A 435
HIS A 100
LEU A 101
 None
 1.10A 5hpuC-3fefA:
undetectable
5hpuD-3fefA:
undetectable		 5hpuC-3fefA:
4.73
5hpuD-3fefA:
6.06
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.
3ila RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF08709
(Ins145_P3_rec) 		4 CYH A  47
LEU A  37
HIS A 181
LEU A 180
 None
 0.94A 5hpuC-3ilaA:
undetectable
5hpuD-3ilaA:
undetectable		 5hpuC-3ilaA:
8.81
5hpuD-3ilaA:
10.58
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.
3im7 CARDIAC CA2+ RELEASE
CHANNEL

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 CYH A  47
LEU A  37
HIS A 193
LEU A 192
 None
 0.89A 5hpuC-3im7A:
undetectable
5hpuD-3im7A:
undetectable		 5hpuC-3im7A:
8.76
5hpuD-3im7A:
9.30
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.
3iqt SIGNAL TRANSDUCTION
HISTIDINE-PROTEIN
KINASE BARA

(Escherichia
coli) 		PF01627
(Hpt) 		4 LEU A 902
CYH A 867
HIS A 864
LEU A 863
 None
 1.06A 5hpuC-3iqtA:
undetectable
5hpuD-3iqtA:
undetectable		 5hpuC-3iqtA:
10.62
5hpuD-3iqtA:
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.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		4 CYH A 556
LEU A 555
HIS A 562
LEU A 480
 None
 1.18A 5hpuC-3javA:
undetectable
5hpuD-3javA:
undetectable		 5hpuC-3javA:
0.85
5hpuD-3javA:
1.15
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.
3l3s ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Ruegeria
pomeroyi) 		PF00378
(ECH_1) 		4 CYH A  65
LEU A 123
HIS A  58
LEU A  23
 None
 1.16A 5hpuC-3l3sA:
undetectable
5hpuD-3l3sA:
undetectable		 5hpuC-3l3sA:
9.63
5hpuD-3l3sA:
17.48
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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 CYH A 197
LEU A 114
HIS A 199
LEU A 147
 None
None
ZN  A 505 (-3.3A)
None
 1.19A 5hpuC-3ll8A:
undetectable
5hpuD-3ll8A:
undetectable		 5hpuC-3ll8A:
5.42
5hpuD-3ll8A:
7.57
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.
3mal STROMAL CELL-DERIVED
FACTOR 2-LIKE
PROTEIN

(Arabidopsis
thaliana) 		PF02815
(MIR) 		4 LEU A 174
CYH A 133
HIS A 117
LEU A 116
 None
 1.17A 5hpuC-3malA:
undetectable
5hpuD-3malA:
undetectable		 5hpuC-3malA:
9.17
5hpuD-3malA:
11.66
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		4 LEU A 112
CYH A  52
HIS A  55
LEU A  56
 None
 0.69A 5hpuC-3nixA:
undetectable
5hpuD-3nixA:
undetectable		 5hpuC-3nixA:
3.92
5hpuD-3nixA:
5.47
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.
3nul PROFILIN I

(Arabidopsis
thaliana) 		PF00235
(Profilin) 		4 CYH A 115
LEU A  20
HIS A  10
LEU A  11
 None
 1.21A 5hpuC-3nulA:
undetectable
5hpuD-3nulA:
undetectable		 5hpuC-3nulA:
8.70
5hpuD-3nulA:
19.09
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.
3o6b CELL DIVISION
CONTROL PROTEIN 53

(Saccharomyces
cerevisiae) 		PF10557
(Cullin_Nedd8) 		4 CYH B 774
CYH B 754
LEU B 751
HIS B 779
 None
 1.19A 5hpuC-3o6bB:
undetectable
5hpuD-3o6bB:
undetectable		 5hpuC-3o6bB:
16.22
5hpuD-3o6bB:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p14 L-RHAMNOSE ISOMERASE

(Bacillus
halodurans) 		PF06134
(RhaA) 		4 CYH A 161
LEU A 146
HIS A 137
LEU A 134
 None
 1.06A 5hpuC-3p14A:
undetectable
5hpuD-3p14A:
undetectable		 5hpuC-3p14A:
4.76
5hpuD-3p14A:
5.35
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.
3qk3 BETA-CRYSTALLIN B3

(Homo sapiens) 		PF00030
(Crystall) 		4 CYH A  45
LEU A 104
CYH A  39
LEU A  28
 None
 1.11A 5hpuC-3qk3A:
undetectable
5hpuD-3qk3A:
undetectable		 5hpuC-3qk3A:
8.02
5hpuD-3qk3A:
13.27
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.
3qr5 CARDIAC CA2+ RELEASE
CHANNEL

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 CYH A  47
LEU A  37
HIS A 193
LEU A 192
 None
 0.76A 5hpuC-3qr5A:
undetectable
5hpuD-3qr5A:
undetectable		 5hpuC-3qr5A:
8.81
5hpuD-3qr5A:
12.65
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.
3qz6 HPCH/HPAI ALDOLASE

(Desulfitobacterium
hafniense) 		PF03328
(HpcH_HpaI) 		4 CYH A 193
LEU A 179
HIS A 149
LEU A 175
 None
 1.18A 5hpuC-3qz6A:
undetectable
5hpuD-3qz6A:
undetectable		 5hpuC-3qz6A:
10.26
5hpuD-3qz6A:
8.87
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.
3rg1 CD180 MOLECULE

(Bos taurus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 LEU A 411
CYH A 455
HIS A 431
LEU A 432
 None
 1.13A 5hpuC-3rg1A:
undetectable
5hpuD-3rg1A:
undetectable		 5hpuC-3rg1A:
3.51
5hpuD-3rg1A:
5.09
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 CYH A  55
CYH A   6
LEU A   7
LEU A  84
 None
 1.21A 5hpuC-3rj8A:
undetectable
5hpuD-3rj8A:
undetectable		 5hpuC-3rj8A:
4.45
5hpuD-3rj8A:
6.08
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.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		4 CYH A1081
LEU A1154
HIS A1050
LEU A1149
 None
 1.01A 5hpuC-3s51A:
undetectable
5hpuD-3s51A:
undetectable		 5hpuC-3s51A:
3.24
5hpuD-3s51A:
3.26
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.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A

(Homo sapiens) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		4 CYH A  75
LEU A  40
CYH A  83
LEU A  44
 None
 1.14A 5hpuC-3t1iA:
undetectable
5hpuD-3t1iA:
undetectable		 5hpuC-3t1iA:
3.76
5hpuD-3t1iA:
8.43
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.
3vcr PUTATIVE KDPG
(2-KETO-3-DEOXY-6-PH
OSPHOGLUCONATE)
ALDOLASE

(Oleispira
antarctica) 		PF01081
(Aldolase) 		4 CYH A 183
CYH A 162
LEU A 115
LEU A   4
 None
 1.11A 5hpuC-3vcrA:
undetectable
5hpuD-3vcrA:
undetectable		 5hpuC-3vcrA:
7.43
5hpuD-3vcrA:
6.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aco CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
A

(Saccharomyces
cerevisiae) 		PF16787
(NDC10_II) 		4 CYH A 182
CYH A 349
HIS A 350
LEU A 351
 None
 1.10A 5hpuC-4acoA:
undetectable
5hpuD-4acoA:
undetectable		 5hpuC-4acoA:
2.57
5hpuD-4acoA:
3.81
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.
4atb INTERLEUKIN
ENHANCER-BINDING
FACTOR 2

(Mus musculus) 		PF07528
(DZF) 		4 CYH A 271
LEU A 227
HIS A 250
LEU A 248
 None
 1.20A 5hpuC-4atbA:
undetectable
5hpuD-4atbA:
undetectable		 5hpuC-4atbA:
3.85
5hpuD-4atbA:
8.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bbk FERMITIN FAMILY
HOMOLOG 1

(Mus musculus) 		PF00169
(PH) 		4 CYH A 468
LEU A 453
CYH A 423
LEU A 440
 None
 1.16A 5hpuC-4bbkA:
undetectable
5hpuD-4bbkA:
undetectable		 5hpuC-4bbkA:
16.39
5hpuD-4bbkA:
10.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d1e ALPHA-ACTININ-2

(Homo sapiens) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		4 LEU A  74
CYH A  48
HIS A  51
LEU A  52
 MLZ  A  71 ( 4.2A)
None
None
None
 1.07A 5hpuC-4d1eA:
undetectable
5hpuD-4d1eA:
undetectable		 5hpuC-4d1eA:
2.83
5hpuD-4d1eA:
3.08
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.
4do7 AMIDOHYDROLASE 2

(Burkholderia
multivorans) 		PF04909
(Amidohydro_2) 		4 CYH A 226
LEU A 172
HIS A 166
LEU A 205
 None
None
ZN  A 401 (-4.6A)
None
 1.07A 5hpuC-4do7A:
undetectable
5hpuD-4do7A:
undetectable		 5hpuC-4do7A:
14.00
5hpuD-4do7A:
9.47
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.
4dwd MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 CYH A  98
LEU A  63
HIS A  71
LEU A  75
 None
 0.86A 5hpuC-4dwdA:
undetectable
5hpuD-4dwdA:
undetectable		 5hpuC-4dwdA:
4.85
5hpuD-4dwdA:
6.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7h FERMITIN FAMILY
HOMOLOG 2

(Homo sapiens) 		PF00169
(PH) 		4 CYH A 471
LEU A 456
CYH A 426
LEU A 443
 None
 1.08A 5hpuC-4f7hA:
undetectable
5hpuD-4f7hA:
undetectable		 5hpuC-4f7hA:
10.94
5hpuD-4f7hA:
10.46
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.
4g1u HEMIN IMPORT
ATP-BINDING PROTEIN
HMUV

(Yersinia pestis) 		PF00005
(ABC_tran) 		4 CYH C  68
LEU C  57
HIS C  33
LEU C  12
 None
 1.01A 5hpuC-4g1uC:
undetectable
5hpuD-4g1uC:
undetectable		 5hpuC-4g1uC:
6.47
5hpuD-4g1uC:
8.75
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.
4g1u HEMIN IMPORT
ATP-BINDING PROTEIN
HMUV

(Yersinia pestis) 		PF00005
(ABC_tran) 		4 LEU C  83
CYH C  68
HIS C  69
LEU C  75
 None
 1.09A 5hpuC-4g1uC:
undetectable
5hpuD-4g1uC:
undetectable		 5hpuC-4g1uC:
6.47
5hpuD-4g1uC:
8.75
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.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		4 CYH M 184
LEU M 261
HIS M 208
LEU M 192
 None
 1.18A 5hpuC-4gq2M:
undetectable
5hpuD-4gq2M:
undetectable		 5hpuC-4gq2M:
4.22
5hpuD-4gq2M:
2.65
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.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 CYH A  47
LEU A  37
HIS A 181
LEU A 180
 None
 0.93A 5hpuC-4i7iA:
undetectable
5hpuD-4i7iA:
undetectable		 5hpuC-4i7iA:
3.18
5hpuD-4i7iA:
4.36
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.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		4 CYH A 530
LEU A 447
HIS A 532
LEU A 480
 None
 1.20A 5hpuC-4il1A:
undetectable
5hpuD-4il1A:
undetectable		 5hpuC-4il1A:
2.81
5hpuD-4il1A:
5.39
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.
4l4i RYANODINE RECEPTOR 2

(Mus musculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 CYH A  47
LEU A  37
HIS A 193
LEU A 192
 None
 0.88A 5hpuC-4l4iA:
undetectable
5hpuD-4l4iA:
undetectable		 5hpuC-4l4iA:
2.95
5hpuD-4l4iA:
3.93
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.
4lcv DOUBLE C2-LIKE
DOMAIN-CONTAINING
PROTEIN BETA

(Rattus
norvegicus) 		PF00168
(C2) 		4 LEU A 235
CYH A 145
HIS A 144
LEU A 134
 None
 1.18A 5hpuC-4lcvA:
undetectable
5hpuD-4lcvA:
undetectable		 5hpuC-4lcvA:
6.52
5hpuD-4lcvA:
17.54
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.
4lcv DOUBLE C2-LIKE
DOMAIN-CONTAINING
PROTEIN BETA

(Rattus
norvegicus) 		PF00168
(C2) 		4 LEU A 238
CYH A 145
HIS A 144
LEU A 134
 None
 1.20A 5hpuC-4lcvA:
undetectable
5hpuD-4lcvA:
undetectable		 5hpuC-4lcvA:
6.52
5hpuD-4lcvA:
17.54
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.
4mjj DOUBLE C2-LIKE
DOMAIN-CONTAINING
PROTEIN ALPHA

(Homo sapiens) 		PF00168
(C2) 		4 LEU A 198
CYH A 108
HIS A 107
LEU A  97
 None
 1.11A 5hpuC-4mjjA:
undetectable
5hpuD-4mjjA:
undetectable		 5hpuC-4mjjA:
8.21
5hpuD-4mjjA:
15.04
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.
4nrn METAL-BOUND TOXIN

(Helicobacter
pylori) 		PF15738
(YafQ_toxin) 		4 LEU A  26
CYH A  59
HIS A  60
LEU A  61
 None
None
ZN  A 101 (-3.2A)
None
 1.10A 5hpuC-4nrnA:
undetectable
5hpuD-4nrnA:
undetectable		 5hpuC-4nrnA:
10.64
5hpuD-4nrnA:
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.
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 CYH A1151
LEU A1091
HIS A1146
LEU A1147
 None
 1.19A 5hpuC-4oliA:
undetectable
5hpuD-4oliA:
undetectable		 5hpuC-4oliA:
3.80
5hpuD-4oliA:
4.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A4578
CYH A4404
HIS A4401
LEU A4400
 None
 1.19A 5hpuC-4opeA:
undetectable
5hpuD-4opeA:
undetectable		 5hpuC-4opeA:
6.86
5hpuD-4opeA:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Xanthobacter
autotrophicus) 		PF03480
(DctP) 		4 CYH A 132
CYH A  98
LEU A  94
LEU A 238
 None
 1.18A 5hpuC-4ovrA:
undetectable
5hpuD-4ovrA:
undetectable		 5hpuC-4ovrA:
7.35
5hpuD-4ovrA:
8.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4per RIBONUCLEASE
INHIBITOR

(Gallus gallus) 		PF13516
(LRR_6) 		4 CYH A 381
LEU A 385
CYH A 375
LEU A 372
 None
 1.14A 5hpuC-4perA:
undetectable
5hpuD-4perA:
undetectable		 5hpuC-4perA:
4.36
5hpuD-4perA:
6.04
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.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		4 CYH A 332
CYH A 291
LEU A 259
LEU A 300
 None
 1.20A 5hpuC-4q3rA:
undetectable
5hpuD-4q3rA:
undetectable		 5hpuC-4q3rA:
6.94
5hpuD-4q3rA:
6.14
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.
4u4i CU/ZN SUPEROXIDE
DISMUTASE

(Megavirus
chiliensis) 		PF00080
(Sod_Cu) 		4 LEU A 112
CYH A  53
HIS A  54
LEU A  92
 None
 1.05A 5hpuC-4u4iA:
undetectable
5hpuD-4u4iA:
undetectable		 5hpuC-4u4iA:
9.94
5hpuD-4u4iA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u8d SORCIN

(Homo sapiens) 		PF13405
(EF-hand_6)
PF13833
(EF-hand_8) 		4 CYH A 162
LEU A 166
HIS A 108
LEU A 129
 None
 1.15A 5hpuC-4u8dA:
undetectable
5hpuD-4u8dA:
undetectable		 5hpuC-4u8dA:
9.15
5hpuD-4u8dA:
12.90
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.
4ud4 POLY(A) RNA
POLYMERASE PROTEIN
CID1

(Schizosaccharomyces
pombe) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 CYH A  48
LEU A 272
HIS A 194
LEU A 191
 None
 1.18A 5hpuC-4ud4A:
undetectable
5hpuD-4ud4A:
undetectable		 5hpuC-4ud4A:
6.83
5hpuD-4ud4A:
8.00
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 CYH A  47
LEU A  37
HIS A 181
LEU A 180
 None
 1.04A 5hpuC-4uwaA:
undetectable
5hpuD-4uwaA:
undetectable		 5hpuC-4uwaA:
0.66
5hpuD-4uwaA:
1.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzi SENSORY OPSIN
A,ARCHAEAL-TYPE
OPSIN 2

(Chlamydomonas
reinhardtii) 		PF01036
(Bac_rhodopsin) 		4 CYH A 298
LEU A 293
CYH A 105
LEU A 101
 None
 1.00A 5hpuC-4yziA:
undetectable
5hpuD-4yziA:
undetectable		 5hpuC-4yziA:
10.48
5hpuD-4yziA:
9.05
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.
4yzi SENSORY OPSIN
A,ARCHAEAL-TYPE
OPSIN 2

(Chlamydomonas
reinhardtii) 		PF01036
(Bac_rhodopsin) 		4 CYH A 298
LEU A 293
CYH A 105
LEU A 101
 None
 1.17A 5hpuC-4yziA:
undetectable
5hpuD-4yziA:
undetectable		 5hpuC-4yziA:
10.48
5hpuD-4yziA:
9.05
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.
5al7 SPINDLE ASSEMBLY
ABNORMAL PROTEIN 6
HOMOLOG

(Drosophila
melanogaster) 		PF16531
(SAS-6_N) 		4 CYH A  45
LEU A  62
HIS A 116
LEU A 117
 None
 1.17A 5hpuC-5al7A:
undetectable
5hpuD-5al7A:
undetectable		 5hpuC-5al7A:
7.37
5hpuD-5al7A:
8.17
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.
5b0v MATRIX PROTEIN VP40

(Marburg
marburgvirus) 		PF07447
(VP40) 		4 LEU A 246
CYH A  58
HIS A  59
LEU A 174
 None
 1.13A 5hpuC-5b0vA:
undetectable
5hpuD-5b0vA:
undetectable		 5hpuC-5b0vA:
5.38
5hpuD-5b0vA:
7.75
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.
5c8s GUANINE-N7
METHYLTRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		4 LEU B  54
CYH B  94
HIS B  95
LEU B 105
 None
 1.06A 5hpuC-5c8sB:
undetectable
5hpuD-5c8sB:
undetectable		 5hpuC-5c8sB:
4.60
5hpuD-5c8sB:
5.34
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.
5gvd TUDOR
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF08585
(RMI1_N) 		4 CYH A 106
LEU A  71
HIS A 103
LEU A  53
 None
 1.09A 5hpuC-5gvdA:
undetectable
5hpuD-5gvdA:
undetectable		 5hpuC-5gvdA:
8.67
5hpuD-5gvdA:
10.30
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.
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1

(Homo sapiens) 		PF04622
(ERG2_Sigma1R) 		4 CYH A  94
LEU A  79
HIS A  97
LEU A  96
 None
 1.03A 5hpuC-5hk2A:
undetectable
5hpuD-5hk2A:
undetectable		 5hpuC-5hk2A:
7.02
5hpuD-5hk2A:
12.15
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		4 CYH A 298
LEU A 343
HIS A 333
LEU A 334
 None
 1.16A 5hpuC-5i0pA:
undetectable
5hpuD-5i0pA:
undetectable		 5hpuC-5i0pA:
6.22
5hpuD-5i0pA:
7.14
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.
5k53 ALDEHYDE
DEFORMYLATING
OXYGENASE

(Oscillatoria
sp.) 		PF11266
(Ald_deCOase) 		4 CYH A 116
LEU A 112
HIS A 147
LEU A 148
 None
None
FE  A 501 (-3.4A)
None
 1.20A 5hpuC-5k53A:
undetectable
5hpuD-5k53A:
undetectable		 5hpuC-5k53A:
8.12
5hpuD-5k53A:
10.65
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.
5mio KINESIN-LIKE PROTEIN
KIF2C,KIF2C FUSED TO
A DARPIN,KIF2C FUSED
TO A DARPIN

(Homo sapiens) 		PF00023
(Ank)
PF00225
(Kinesin)
PF12796
(Ank_2) 		4 CYH C 260
CYH C 560
LEU C 332
HIS C 257
 None
 1.14A 5hpuC-5mioC:
undetectable
5hpuD-5mioC:
undetectable		 5hpuC-5mioC:
5.60
5hpuD-5mioC:
4.71
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.
5o9w THEBAINE
6-O-DEMETHYLASE

(Papaver
somniferum) 		no annotation 4 LEU A  63
CYH A  82
HIS A  79
LEU A  78
 None
None
EDO  A 403 (-4.0A)
None
 1.21A 5hpuC-5o9wA:
undetectable
5hpuD-5o9wA:
undetectable		 5hpuC-5o9wA:
undetectable
5hpuD-5o9wA:
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.
5szr PROTEIN PCDHGB2

(Mus musculus) 		PF00028
(Cadherin) 		4 LEU A 374
CYH A 354
HIS A 355
LEU A 364
 None
 1.10A 5hpuC-5szrA:
undetectable
5hpuD-5szrA:
undetectable		 5hpuC-5szrA:
4.94
5hpuD-5szrA:
8.27
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.
5tzm OBSCURIN

(Homo sapiens) 		no annotation 4 CYH A  80
LEU A   4
CYH A  25
LEU A  27
 None
 1.14A 5hpuC-5tzmA:
undetectable
5hpuD-5tzmA:
undetectable		 5hpuC-5tzmA:
10.20
5hpuD-5tzmA:
18.31
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.
5ux2 ALDEHYDE
DECARBONYLASE

(Synechococcus
sp. RS9917) 		no annotation 4 CYH A 110
LEU A 106
HIS A 141
LEU A 142
 None
None
FE  A 301 (-3.5A)
None
 1.08A 5hpuC-5ux2A:
undetectable
5hpuD-5ux2A:
undetectable		 5hpuC-5ux2A:
undetectable
5hpuD-5ux2A:
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.
5v12 HERCYNYLCYSTEINE
SULFOXIDE LYASE

(Neurospora
crassa) 		no annotation 4 CYH C 315
LEU C  59
CYH C 255
HIS C 246
 None
None
None
EXA  C 247 ( 4.1A)
 1.13A 5hpuC-5v12C:
undetectable
5hpuD-5v12C:
undetectable		 5hpuC-5v12C:
undetectable
5hpuD-5v12C:
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.
5voh NADH OXIDASE

(Lactobacillus
brevis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 235
CYH A 131
HIS A 136
LEU A 140
 None
FAD  A 501 (-3.6A)
None
None
 1.17A 5hpuC-5vohA:
undetectable
5hpuD-5vohA:
undetectable		 5hpuC-5vohA:
4.08
5hpuD-5vohA:
7.97
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 4 CYH A 617
LEU A 646
HIS A 597
LEU A 598
 None
 1.20A 5hpuC-5wblA:
undetectable
5hpuD-5wblA:
undetectable		 5hpuC-5wblA:
undetectable
5hpuD-5wblA:
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases) 		4 LEU D 399
CYH D 414
HIS D 402
LEU D 416
 FCO  D 501 (-3.3A)
None
None
None
 1.03A 5hpuC-5xfaD:
undetectable
5hpuD-5xfaD:
undetectable		 5hpuC-5xfaD:
4.96
5hpuD-5xfaD:
12.77
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.
5xly CHEMOTAXIS PROTEIN
METHYLTRANSFERASE 1

(Pseudomonas
aeruginosa) 		PF01739
(CheR)
PF03705
(CheR_N) 		4 CYH A 216
LEU A 247
HIS A 236
LEU A 232
 None
 1.15A 5hpuC-5xlyA:
undetectable
5hpuD-5xlyA:
undetectable		 5hpuC-5xlyA:
7.04
5hpuD-5xlyA:
6.34
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.
5y9v RYANODINE RECEPTOR 1

(Plutella
xylostella) 		no annotation 4 CYH A  46
LEU A  36
HIS A 177
LEU A 176
 None
 0.96A 5hpuC-5y9vA:
undetectable
5hpuD-5y9vA:
undetectable		 5hpuC-5y9vA:
undetectable
5hpuD-5y9vA:
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.
5yf4 -

(-) 		no annotation 4 CYH A 160
LEU A 156
CYH A  78
LEU A  74
 None
 1.15A 5hpuC-5yf4A:
undetectable
5hpuD-5yf4A:
undetectable		 5hpuC-5yf4A:
undetectable
5hpuD-5yf4A:
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.
5ze8 CYTOCHROME C552

(Thermochromatium
tepidum) 		no annotation 4 LEU A 115
CYH A  99
HIS A 103
LEU A 100
 None
HEM  A 502 (-1.9A)
HEM  A 502 (-3.3A)
None
 1.06A 5hpuC-5ze8A:
undetectable
5hpuD-5ze8A:
undetectable		 5hpuC-5ze8A:
undetectable
5hpuD-5ze8A:
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.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		4 CYH A 298
LEU A 342
HIS A 332
LEU A 333
 None
 0.99A 5hpuC-6ao1A:
undetectable
5hpuD-6ao1A:
undetectable		 5hpuC-6ao1A:
5.61
5hpuD-6ao1A:
5.64
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.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		4 CYH A 298
LEU A 342
HIS A 332
LEU A 333
 None
 1.16A 5hpuC-6ao1A:
undetectable
5hpuD-6ao1A:
undetectable		 5hpuC-6ao1A:
5.61
5hpuD-6ao1A:
5.64
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.
6axf RAS GUANYL-RELEASING
PROTEIN 2

(Homo sapiens) 		no annotation 4 CYH A  20
LEU A  40
HIS A  77
LEU A  78
 None
 1.04A 5hpuC-6axfA:
undetectable
5hpuD-6axfA:
undetectable		 5hpuC-6axfA:
6.51
5hpuD-6axfA:
5.54
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 4 LEU A 289
CYH A 215
HIS A 214
LEU A 245
 None
 1.17A 5hpuC-6b2wA:
undetectable
5hpuD-6b2wA:
undetectable		 5hpuC-6b2wA:
undetectable
5hpuD-6b2wA:
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 4 CYH A 491
LEU A 473
CYH A 525
LEU A 499
 None
 1.13A 5hpuC-6em0A:
undetectable
5hpuD-6em0A:
undetectable		 5hpuC-6em0A:
undetectable
5hpuD-6em0A:
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.
6gfb GALECTIN-3-BINDING
PROTEIN

(Homo sapiens) 		no annotation 4 LEU A 208
CYH A 243
HIS A 228
LEU A 239
 None
 1.09A 5hpuC-6gfbA:
undetectable
5hpuD-6gfbA:
undetectable		 5hpuC-6gfbA:
undetectable
5hpuD-6gfbA:
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.
6gsa -

(-) 		no annotation 4 CYH E 182
CYH E 349
HIS E 350
LEU E 351
 None
 1.10A 5hpuC-6gsaE:
undetectable
5hpuD-6gsaE:
undetectable		 5hpuC-6gsaE:
undetectable
5hpuD-6gsaE:
undetectable