SIMILAR PATTERNS OF AMINO ACIDS FOR 5ZRD_B_CUB606_0

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.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 240
HIS A 244
PHE A 270
HIS A 273
HIS A 274
 C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 4.8A)
None
C2O  A 500 ( 3.2A)
 0.35A 5zrdB-1bt2A:
undetectable		 5zrdB-1bt2A:
23.10
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.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		4 HIS A  44
HIS A 118
HIS A  46
HIS A  61
 CU  A 502 (-3.3A)
CU  A 502 (-3.1A)
CU  A 502 (-3.2A)
ZN  A 501 ( 3.2A)
 1.09A 5zrdB-1eqwA:
undetectable		 5zrdB-1eqwA:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 194
HIS A 198
PHE A 220
HIS A 224
 CU  A 665 (-3.0A)
CU  A 665 (-3.1A)
None
CU  A 665 (-3.5A)
 0.83A 5zrdB-1hcyA:
3.4		 5zrdB-1hcyA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 344
HIS A 348
PHE A 380
HIS A 384
 CU  A 666 (-3.1A)
CU  A 666 (-3.8A)
None
CU  A 666 (-3.4A)
 0.45A 5zrdB-1hcyA:
3.4		 5zrdB-1hcyA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A2671
HIS A2675
PHE A2698
HIS A2701
HIS A2702
 CUO  A 888 (-3.4A)
CUO  A 888 (-3.3A)
None
None
CUO  A 888 (-3.3A)
 0.36A 5zrdB-1js8A:
4.5		 5zrdB-1js8A:
24.54
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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 324
HIS A 328
PHE A 360
HIS A 364
 CU  A 630 (-3.3A)
CU  A 630 (-3.2A)
CU  A 630 ( 4.7A)
CU  A 630 (-3.0A)
 0.26A 5zrdB-1llaA:
3.2		 5zrdB-1llaA:
22.05
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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 364
HIS A 324
PHE A  49
HIS A 328
 CU  A 630 (-3.0A)
CU  A 630 (-3.3A)
None
CU  A 630 (-3.2A)
 1.04A 5zrdB-1llaA:
3.2		 5zrdB-1llaA:
22.05
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A  41
HIS A  61
PHE A  66
HIS A  70
 CU  A5001 (-2.9A)
CU  A5001 (-3.6A)
None
CU  A5001 ( 3.1A)
 0.92A 5zrdB-1lnlA:
27.4		 5zrdB-1lnlA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A 181
HIS A 185
HIS A 212
HIS A  70
 CU  A5012 (-3.4A)
CU  A5012 (-3.2A)
CU  A5012 (-3.1A)
CU  A5001 ( 3.1A)
 1.10A 5zrdB-1lnlA:
27.4		 5zrdB-1lnlA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 181
HIS A 185
PHE A 208
HIS A 211
HIS A 212
 CU  A5012 (-3.4A)
CU  A5012 (-3.2A)
None
None
CU  A5012 (-3.1A)
 0.65A 5zrdB-1lnlA:
27.4		 5zrdB-1lnlA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oal SUPEROXIDE DISMUTASE

(Photobacterium
leiognathi) 		PF00080
(Sod_Cu) 		4 HIS A  45
HIS A 125
HIS A  47
HIS A  70
 CU  A 153 (-3.0A)
CU  A 153 (-3.2A)
CU  A 153 (-3.1A)
ZN  A 152 ( 3.1A)
 1.07A 5zrdB-1oalA:
undetectable		 5zrdB-1oalA:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wx4 TYROSINASE

(Streptomyces
castaneoglobisporus) 		PF00264
(Tyrosinase) 		5 HIS A 190
HIS A 194
PHE A 212
HIS A 215
HIS A 216
 CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
PER  A 409 (-4.9A)
None
CU  A 401 ( 3.4A)
 0.33A 5zrdB-1wx4A:
3.7		 5zrdB-1wx4A:
21.17
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.
1z9n SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		4 HIS A  70
HIS A 151
HIS A  72
HIS A  95
 CU  A 200 (-3.1A)
CU  A 200 (-3.2A)
CU  A 200 (-3.2A)
ZN  A 201 ( 3.1A)
 1.06A 5zrdB-1z9nA:
undetectable		 5zrdB-1z9nA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9p SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		4 HIS A  70
HIS A 151
HIS A  72
HIS A  95
 CU  A 200 (-3.1A)
CU  A 200 (-3.2A)
CU  A 200 (-3.2A)
ZN  A 201 ( 3.1A)
 1.08A 5zrdB-1z9pA:
undetectable		 5zrdB-1z9pA:
15.80
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.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		4 HIS A  60
HIS A 141
HIS A  62
HIS A  85
 CU  A 402 ( 3.3A)
CU  A 402 ( 3.1A)
CU  A 402 ( 3.4A)
ZN  A 400 (-3.2A)
 1.09A 5zrdB-2apsA:
undetectable		 5zrdB-2apsA:
15.62
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.
2aqt SUPEROXIDE DISMUTASE
[CU-ZN]

(Neisseria
meningitidis) 		no annotation 4 HIS C  79
HIS C 160
HIS C  81
HIS C 104
 CU1  C 200 (-3.1A)
CU1  C 200 (-3.2A)
CU1  C 200 (-3.3A)
ZN  C 201 ( 3.1A)
 1.07A 5zrdB-2aqtC:
undetectable		 5zrdB-2aqtC:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A 117
HIS A  87
PHE A 259
HIS A 108
 C2O  A 340 (-3.5A)
C2O  A 340 (-3.2A)
C2O  A 340 (-4.2A)
C2O  A 340 (-3.3A)
 1.09A 5zrdB-2p3xA:
3.6		 5zrdB-2p3xA:
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 239
HIS A 243
PHE A 268
HIS A 271
HIS A 272
 C2O  A 340 (-3.2A)
C2O  A 340 (-3.3A)
C2O  A 340 ( 4.7A)
None
C2O  A 340 (-3.1A)
 0.20A 5zrdB-2p3xA:
3.6		 5zrdB-2p3xA:
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		4 HIS A  76
HIS A  78
PHE A 165
HIS A 200
 FE  A1001 (-3.5A)
FE  A1001 (-3.3A)
None
FE  A1001 (-3.3A)
 0.96A 5zrdB-2p4zA:
undetectable		 5zrdB-2p4zA:
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		4 HIS A  78
PHE A 178
HIS A  76
HIS A 200
 FE  A1001 (-3.3A)
None
FE  A1001 (-3.5A)
FE  A1001 (-3.3A)
 0.84A 5zrdB-2p4zA:
undetectable		 5zrdB-2p4zA:
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 HIS A 137
HIS A 248
HIS A  76
HIS A  78
 None
ZN  A 493 (-3.2A)
ZN  A 493 (-3.5A)
ZN  A 493 (-3.2A)
 1.04A 5zrdB-2pajA:
undetectable		 5zrdB-2pajA:
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 HIS A 248
HIS A 285
HIS A  76
HIS A  78
 ZN  A 493 (-3.2A)
ZN  A 493 (-3.5A)
ZN  A 493 (-3.5A)
ZN  A 493 (-3.2A)
 0.93A 5zrdB-2pajA:
undetectable		 5zrdB-2pajA:
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  60
HIS A  62
PHE A 158
HIS A 125
HIS A 217
 ZN  A 501 (-3.3A)
ZN  A 501 (-3.3A)
None
None
ZN  A 501 (-3.5A)
 1.29A 5zrdB-2qt3A:
undetectable		 5zrdB-2qt3A:
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS A  61
HIS A  85
PHE A  90
HIS A  94
 CU  A 400 (-3.2A)
CU  A 400 (-3.3A)
None
CU  A 400 (-3.2A)
 1.08A 5zrdB-2y9xA:
34.3		 5zrdB-2y9xA:
26.86
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A 259
HIS A 263
PHE A 292
HIS A 295
HIS A 296
 CU  A 401 (-3.2A)
0TR  A 410 ( 3.1A)
CU  A 401 ( 4.9A)
None
CU  A 401 (-3.2A)
 0.35A 5zrdB-2y9xA:
34.3		 5zrdB-2y9xA:
26.86
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.
3eyy PUTATIVE IRON UPTAKE
REGULATORY PROTEIN

(Streptomyces
coelicolor) 		PF01475
(FUR) 		4 HIS A  86
HIS A  33
HIS A  90
HIS A  88
 ZN  A 147 (-3.3A)
ZN  A 147 (-3.3A)
ZN  A 147 (-3.3A)
ZN  A 147 (-3.7A)
 1.06A 5zrdB-3eyyA:
undetectable		 5zrdB-3eyyA:
14.84
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.
3f7l COPPER,ZINC
SUPEROXIDE DISMUTASE

(Alvinella
pompejana) 		PF00080
(Sod_Cu) 		4 HIS A  44
HIS A 118
HIS A  46
HIS A  61
 CU  A 202 ( 2.9A)
CU1  A 201 ( 3.2A)
CU1  A 201 ( 3.1A)
ZN  A 203 (-3.1A)
 1.08A 5zrdB-3f7lA:
undetectable		 5zrdB-3f7lA:
16.01
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.
3fcm HYDROLASE, NUDIX
FAMILY

(Clostridium
perfringens) 		PF00293
(NUDIX) 		4 HIS A 129
HIS A  75
HIS A  43
HIS A 127
 MN  A 201 (-3.5A)
MN  A 201 (-3.3A)
MN  A 201 (-3.4A)
MN  A 201 (-3.6A)
 1.00A 5zrdB-3fcmA:
undetectable		 5zrdB-3fcmA:
17.49
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.
3fsn RETINAL PIGMENT
EPITHELIUM-SPECIFIC
65 KDA PROTEIN

(Bos taurus) 		PF03055
(RPE65) 		4 HIS A 313
HIS A 527
HIS A 180
HIS A 241
 FE2  A 534 (-3.4A)
FE2  A 534 (-3.3A)
FE2  A 534 (-3.4A)
FE2  A 534 (-3.3A)
 1.07A 5zrdB-3fsnA:
undetectable		 5zrdB-3fsnA:
21.32
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		5 HIS A  61
HIS A  63
PHE A 154
HIS A 122
HIS A 214
 FE  A 502 (-3.1A)
FE  A 502 (-3.1A)
None
None
FE  A 502 (-3.6A)
 1.17A 5zrdB-3g77A:
undetectable		 5zrdB-3g77A:
22.02
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		4 HIS A  57
HIS A  59
PHE A 135
HIS A 170
 ZN  A 256 (-3.5A)
ZN  A 256 (-3.2A)
None
ZN  A 256 (-3.6A)
 0.89A 5zrdB-3h3eA:
undetectable		 5zrdB-3h3eA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		4 HIS A  59
PHE A 148
HIS A  57
HIS A 170
 ZN  A 256 (-3.2A)
None
ZN  A 256 (-3.5A)
ZN  A 256 (-3.6A)
 0.85A 5zrdB-3h3eA:
undetectable		 5zrdB-3h3eA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS B 209
HIS B 213
PHE B 235
HIS B 239
 CU  B 686 (-3.1A)
CU  B 686 (-3.3A)
None
CU  B 686 (-3.1A)
 0.77A 5zrdB-3hhsB:
3.5		 5zrdB-3hhsB:
21.62
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS B 366
HIS B 370
PHE B 402
HIS B 406
 CU  B   1 (-3.3A)
CU  B   1 (-3.2A)
CU  B   1 ( 4.8A)
CU  B   1 (-3.1A)
 0.25A 5zrdB-3hhsB:
3.5		 5zrdB-3hhsB:
21.62
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.
3hhs PHENOLOXIDASE
SUBUNIT 2

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 215
HIS A 219
PHE A 241
HIS A 245
 CU  A 696 (-3.2A)
CU  A 696 (-3.3A)
None
CU  A 696 (-3.2A)
 0.82A 5zrdB-3hhsA:
5.0		 5zrdB-3hhsA:
21.80
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.
3hhs PHENOLOXIDASE
SUBUNIT 2

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 368
HIS A 372
PHE A 404
HIS A 408
 CU  A 697 (-3.2A)
CU  A 697 (-3.2A)
CU  A 697 ( 4.9A)
CU  A 697 (-3.1A)
 0.30A 5zrdB-3hhsA:
5.0		 5zrdB-3hhsA:
21.80
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 HIS A 153
HIS A 259
HIS A  93
HIS A  95
 None
ZN  A 480 (-3.5A)
ZN  A 480 (-3.3A)
ZN  A 480 (-3.3A)
 0.95A 5zrdB-3hpaA:
undetectable		 5zrdB-3hpaA:
22.63
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.
3ht1 REMF PROTEIN

(Streptomyces
resistomycificus) 		PF07883
(Cupin_2) 		4 HIS A  55
HIS A  53
HIS A  95
HIS A  59
 NI  A 151 (-3.3A)
NI  A 151 (-3.3A)
NI  A 151 (-3.3A)
NI  A 151 (-3.3A)
 0.96A 5zrdB-3ht1A:
undetectable		 5zrdB-3ht1A:
15.10
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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 321
HIS A 325
PHE A 357
HIS A 361
 None
 0.86A 5zrdB-3ixwA:
6.8		 5zrdB-3ixwA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l9y SUPEROXIDE DISMUTASE
[CU-ZN]

(Bombyx mori) 		PF00080
(Sod_Cu) 		4 HIS A  45
HIS A 120
HIS A  47
HIS A  62
 CU  A 156 (-3.2A)
CU  A 156 (-3.1A)
CU  A 156 (-3.2A)
ZN  A 155 ( 3.1A)
 1.09A 5zrdB-3l9yA:
undetectable		 5zrdB-3l9yA:
14.42
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A 328
HIS A 332
PHE A 368
HIS A 371
HIS A 372
 None
 0.28A 5zrdB-3w6qA:
24.3		 5zrdB-3w6qA:
25.27
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 199
HIS A 203
PHE A 222
HIS A 226
 CUO  A 708 (-3.3A)
CUO  A 708 (-3.5A)
None
CUO  A 708 (-3.3A)
 0.79A 5zrdB-3wkyA:
3.6		 5zrdB-3wkyA:
22.87
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 357
HIS A 361
PHE A 393
HIS A 397
 CUO  A 708 (-3.3A)
CUO  A 708 (-3.2A)
CUO  A 708 (-4.5A)
CUO  A 708 (-3.4A)
 0.24A 5zrdB-3wkyA:
3.6		 5zrdB-3wkyA:
22.87
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 397
HIS A 357
PHE A  72
HIS A 361
 CUO  A 708 (-3.4A)
CUO  A 708 (-3.3A)
CUO  A 708 (-4.6A)
CUO  A 708 (-3.2A)
 1.04A 5zrdB-3wkyA:
3.6		 5zrdB-3wkyA:
22.87
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 4 HIS A 337
HIS A 215
PHE A 294
HIS A 295
 ZN  A 950 (-3.3A)
ZN  A 950 (-3.3A)
None
ZN  A 950 (-3.3A)
 0.84A 5zrdB-4a7kA:
undetectable		 5zrdB-4a7kA:
20.43
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 179
HIS A 183
PHE A 206
HIS A 209
HIS A 210
 CUO  A9001 (-3.4A)
CUO  A9001 (-3.4A)
CUO  A9001 (-4.6A)
None
CUO  A9001 (-3.3A)
 0.78A 5zrdB-4bedA:
2.7		 5zrdB-4bedA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 602
HIS A 606
PHE A 629
HIS A 632
HIS A 633
 CUO  A9002 (-3.4A)
CUO  A9002 (-3.3A)
CUO  A9002 (-4.3A)
None
CUO  A9002 (-3.3A)
 0.93A 5zrdB-4bedA:
2.7		 5zrdB-4bedA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A1015
HIS A1019
PHE A1042
HIS A1045
HIS A1046
 CUO  A9003 (-3.1A)
CUO  A9003 (-3.4A)
CUO  A9003 ( 4.9A)
None
CUO  A9003 (-3.2A)
 0.82A 5zrdB-4bedA:
2.7		 5zrdB-4bedA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A1046
HIS A 905
HIS A1015
HIS A1019
 CUO  A9003 (-3.2A)
CUO  A9003 (-3.5A)
CUO  A9003 (-3.1A)
CUO  A9003 (-3.4A)
 1.01A 5zrdB-4bedA:
2.7		 5zrdB-4bedA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A1424
HIS A1428
PHE A1451
HIS A1454
HIS A1455
 CUO  A9004 (-3.0A)
CUO  A9004 (-3.4A)
CUO  A9004 (-4.5A)
None
CUO  A9004 (-3.3A)
 0.84A 5zrdB-4bedA:
2.7		 5zrdB-4bedA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B1705
HIS B1725
PHE B1730
HIS B1734
 CUO  B9005 (-3.2A)
CUO  B9005 (-3.1A)
CUO  B9005 ( 4.9A)
CUO  B9005 (-3.4A)
 0.95A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
15.56
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B1847
HIS B1851
PHE B1874
HIS B1877
HIS B1878
 CUO  B9005 (-3.2A)
CUO  B9005 (-3.2A)
CUO  B9005 (-4.4A)
None
CUO  B9005 (-3.3A)
 0.85A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
15.56
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2122
HIS B2141
PHE B2146
HIS B2150
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-4.7A)
CUO  B9006 (-3.3A)
 0.93A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
15.56
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2260
HIS B2264
PHE B2287
HIS B2290
HIS B2291
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
CUO  B9006 (-4.7A)
None
CUO  B9006 (-3.5A)
 0.87A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
15.56
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2291
HIS B2150
HIS B2260
HIS B2264
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
 0.90A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
15.56
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2670
HIS B2674
PHE B2697
HIS B2700
HIS B2701
 CUO  B9007 (-3.4A)
CUO  B9007 (-3.4A)
CUO  B9007 (-4.7A)
None
CUO  B9007 (-3.1A)
 0.82A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
15.56
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B3075
HIS B3079
PHE B3102
HIS B3105
 CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 (-4.7A)
None
 0.60A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
15.56
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B3075
HIS B3079
PHE B3102
HIS B3106
 CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 (-4.7A)
CUO  B9008 (-3.3A)
 0.54A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
15.56
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.
4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Granulicella
tundricola) 		PF07883
(Cupin_2) 		4 HIS A  53
HIS A  96
HIS A  94
HIS A  55
 MN  A1132 (-3.3A)
MN  A1132 (-3.4A)
MN  A1132 (-3.6A)
MN  A1132 (-3.4A)
 1.07A 5zrdB-4bifA:
undetectable		 5zrdB-4bifA:
13.64
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.
4h54 DIGUANYLATE CYCLASE
YDEH

(Escherichia
coli) 		PF00990
(GGDEF) 		4 HIS A  22
PHE A 113
HIS A  83
HIS A  79
 ZN  A 401 (-3.3A)
None
ZN  A 401 (-3.2A)
ZN  A 401 (-3.5A)
 1.05A 5zrdB-4h54A:
undetectable		 5zrdB-4h54A:
19.67
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.
4i7h PEROXIDE STRESS
SENSING REGULATOR

(Streptococcus
pyogenes) 		PF01475
(FUR) 		4 HIS A   4
HIS A  97
HIS A  99
HIS A   6
 NI  A 201 (-3.6A)
NI  A 201 (-3.6A)
NI  A 201 (-3.5A)
NI  A 201 (-3.6A)
 0.85A 5zrdB-4i7hA:
undetectable		 5zrdB-4i7hA:
16.55
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A 284
HIS A 288
PHE A 308
HIS A 311
HIS A 312
 CU  A1002 (-3.2A)
CU  A1002 (-3.2A)
CU  A1002 ( 4.9A)
None
CU  A1002 (-3.2A)
 0.36A 5zrdB-4j3qA:
3.9		 5zrdB-4j3qA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		4 HIS A 307
HIS A 378
PHE A 374
HIS A 305
 FE  A 601 ( 3.1A)
None
None
FE  A 601 ( 3.4A)
 0.93A 5zrdB-4jo0A:
undetectable		 5zrdB-4jo0A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS B  57
HIS B  82
PHE B  87
HIS B  91
 CU1  B 601 (-3.1A)
CU1  B 601 (-3.1A)
None
CU1  B 601 (-3.2A)
 1.05A 5zrdB-4ouaB:
34.4		 5zrdB-4ouaB:
27.40
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS B 251
HIS B 255
PHE B 279
HIS B 282
HIS B 283
 CU1  B 602 (-3.2A)
CU1  B 602 (-3.1A)
CU1  B 602 (-4.5A)
None
CU1  B 602 (-3.0A)
 0.22A 5zrdB-4ouaB:
34.4		 5zrdB-4ouaB:
27.40
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS A  57
HIS A  82
PHE A  87
HIS A  91
 CU1  A 401 (-3.2A)
CU1  A 401 (-3.3A)
None
CU1  A 401 (-3.3A)
 1.03A 5zrdB-4ouaA:
34.0		 5zrdB-4ouaA:
27.34
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A 251
HIS A 255
PHE A 279
HIS A 282
HIS A 283
 CU1  A 402 (-3.0A)
CU1  A 402 (-3.1A)
CU1  A 402 (-4.8A)
CU1  A 402 (-3.0A)
CU1  A 402 (-2.9A)
 0.27A 5zrdB-4ouaA:
34.0		 5zrdB-4ouaA:
27.34
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 HIS A  56
HIS A  58
PHE A 149
HIS A 117
HIS A 209
 FE2  A 502 (-3.4A)
FE2  A 502 ( 3.5A)
17E  A 501 (-4.9A)
None
FE2  A 502 ( 3.4A)
 1.35A 5zrdB-4r85A:
undetectable		 5zrdB-4r85A:
24.60
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		4 HIS A 209
HIS A 241
HIS A  56
HIS A  58
 FE2  A 502 ( 3.4A)
FE2  A 502 ( 3.7A)
FE2  A 502 (-3.4A)
FE2  A 502 ( 3.5A)
 1.04A 5zrdB-4r85A:
undetectable		 5zrdB-4r85A:
24.60
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.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		4 HIS A 121
HIS A 153
HIS A 116
HIS A 297
 ZN  A 401 (-3.4A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.5A)
ZN  A 401 (-3.2A)
 1.02A 5zrdB-4ymkA:
undetectable		 5zrdB-4ymkA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		4 HIS A 153
HIS A 116
HIS A 121
HIS A 157
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.5A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.3A)
 1.06A 5zrdB-4ymkA:
undetectable		 5zrdB-4ymkA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		4 HIS A 157
HIS A 153
HIS A 121
HIS A 297
 ZN  A 401 (-3.3A)
ZN  A 401 ( 3.2A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.2A)
 0.99A 5zrdB-4ymkA:
undetectable		 5zrdB-4ymkA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 223
HIS A 227
PHE A 248
HIS A 252
 CU  A 801 (-3.0A)
CU  A 801 (-3.2A)
None
CU  A 801 (-3.2A)
 0.68A 5zrdB-4yzwA:
6.7		 5zrdB-4yzwA:
22.01
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 379
HIS A 383
PHE A 415
HIS A 419
 CU  A 802 (-3.2A)
CU  A 802 (-3.2A)
CU  A 802 ( 4.9A)
CU  A 802 (-3.1A)
 0.23A 5zrdB-4yzwA:
6.7		 5zrdB-4yzwA:
22.01
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 419
HIS A 379
PHE A  99
HIS A 383
 CU  A 802 (-3.1A)
CU  A 802 (-3.2A)
None
CU  A 802 (-3.2A)
 1.05A 5zrdB-4yzwA:
6.7		 5zrdB-4yzwA:
22.01
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.
4z0z AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A 256
PHE A 282
HIS A 285
HIS A 286
 HS8  A 252 ( 3.6A)
None
HS8  A 252 ( 4.1A)
HS8  A 252 ( 3.7A)
 0.63A 5zrdB-4z0zA:
3.1		 5zrdB-4z0zA:
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		4 HIS A  93
HIS A 116
PHE A 121
HIS A 125
 CU  A 700 (-3.2A)
CU  A 700 (-3.2A)
None
CU  A 700 (-3.2A)
 1.06A 5zrdB-4z11A:
19.7		 5zrdB-4z11A:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		4 HIS A 125
HIS A  93
PHE A 273
HIS A 116
 CU  A 700 (-3.2A)
CU  A 700 (-3.2A)
None
CU  A 700 (-3.2A)
 1.03A 5zrdB-4z11A:
19.7		 5zrdB-4z11A:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 HIS A 252
HIS A 256
PHE A 282
HIS A 285
HIS A 286
 CU  A 701 (-3.1A)
CU  A 701 (-3.1A)
None
None
CU  A 701 (-3.1A)
 0.29A 5zrdB-4z11A:
19.7		 5zrdB-4z11A:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 249
HIS A 268
HIS A 244
HIS A 348
 ZN  A 402 (-3.2A)
ZN  A 402 (-3.5A)
ZN  A 402 (-3.7A)
ZN  A 402 (-3.3A)
 1.06A 5zrdB-4zr0A:
undetectable		 5zrdB-4zr0A:
20.79
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.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 345
HIS A 326
HIS A 330
HIS A 349
 ZN  A 401 (-3.5A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.2A)
 0.99A 5zrdB-4zr0A:
undetectable		 5zrdB-4zr0A:
20.79
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.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 349
HIS A 345
HIS A 330
HIS A 271
 ZN  A 401 (-3.2A)
ZN  A 401 (-3.5A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.2A)
 1.07A 5zrdB-4zr0A:
undetectable		 5zrdB-4zr0A:
20.79
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.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 249
HIS A 268
HIS A 244
HIS A 348
 ZN  A 402 (-3.2A)
ZN  A 402 (-3.3A)
ZN  A 402 (-3.5A)
ZN  A 402 (-3.3A)
 1.04A 5zrdB-4zr1A:
undetectable		 5zrdB-4zr1A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 330
HIS A 345
HIS A 326
HIS A 271
 ZN  A 401 (-3.3A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
ZN  A 401 ( 3.4A)
 1.07A 5zrdB-4zr1A:
undetectable		 5zrdB-4zr1A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 345
HIS A 326
HIS A 330
HIS A 349
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.2A)
 1.01A 5zrdB-4zr1A:
undetectable		 5zrdB-4zr1A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 349
HIS A 345
HIS A 330
HIS A 271
 ZN  A 401 (-3.2A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.3A)
ZN  A 401 ( 3.4A)
 1.04A 5zrdB-4zr1A:
undetectable		 5zrdB-4zr1A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 4 HIS A 125
HIS A 157
HIS A 120
HIS A 301
 ZN  A 401 (-3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 (-3.4A)
 1.10A 5zrdB-4zyoA:
undetectable		 5zrdB-4zyoA:
20.57
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.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 4 HIS A 157
HIS A 120
HIS A 125
HIS A 161
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 (-3.2A)
ZN  A 401 (-3.3A)
 1.09A 5zrdB-4zyoA:
undetectable		 5zrdB-4zyoA:
20.57
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A 117
HIS A  87
PHE A 260
HIS A 108
 CU  A 402 ( 3.2A)
CU  A 402 ( 3.2A)
NA  A 406 (-4.6A)
CU  A 402 ( 3.2A)
 1.09A 5zrdB-5ce9A:
3.6		 5zrdB-5ce9A:
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 239
HIS A 243
PHE A 269
HIS A 272
HIS A 273
 CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
CU  A 401 ( 4.9A)
None
CU  A 401 ( 3.2A)
 0.26A 5zrdB-5ce9A:
3.6		 5zrdB-5ce9A:
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.
5i3a TYROSINASE

(Bacillus
megaterium) 		PF00264
(Tyrosinase) 		5 HIS A 204
HIS A 208
PHE A 227
HIS A 230
HIS A 231
 ZN  A 302 ( 3.4A)
HQE  A 303 ( 3.0A)
ZN  A 302 ( 4.7A)
None
ZN  A 302 (-3.1A)
 0.18A 5zrdB-5i3aA:
4.0		 5zrdB-5i3aA:
22.37
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.
5j55 CAROTENOID OXYGENASE

(Novosphingobium
aromaticivorans) 		PF03055
(RPE65) 		4 HIS A 284
HIS A 476
HIS A 167
HIS A 218
 FE  A 501 ( 3.3A)
FE  A 501 ( 3.1A)
FE  A 501 (-3.3A)
FE  A 501 (-3.2A)
 0.95A 5zrdB-5j55A:
undetectable		 5zrdB-5j55A:
22.84
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.
5kbm CELL SURFACE CU-ONLY
SUPEROXIDE DISMUTASE
5

(Candida
albicans) 		PF00080
(Sod_Cu) 		4 HIS A  75
HIS A 153
HIS A  77
HIS A  93
 CU1  A 201 (-3.0A)
CU1  A 201 (-3.2A)
CU1  A 201 (-3.1A)
CU1  A 201 (-4.2A)
 1.09A 5zrdB-5kbmA:
undetectable		 5zrdB-5kbmA:
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.
5kja APOCAROTENOID-15,15'
-OXYGENASE

(Synechocystis
sp. PCC 6803) 		PF03055
(RPE65) 		4 HIS A 183
HIS A 238
PHE A 303
HIS A 304
 FE2  A 502 (-4.0A)
FE2  A 502 (-4.5A)
None
FE2  A 502 (-3.8A)
 1.08A 5zrdB-5kjaA:
undetectable		 5zrdB-5kjaA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 HIS A 377
HIS A 381
PHE A 400
HIS A 404
 ZN  A 511 ( 3.2A)
ZN  A 511 ( 3.3A)
ZN  A 511 ( 4.7A)
ZN  A 511 (-3.1A)
 0.24A 5zrdB-5m8tA:
3.0		 5zrdB-5m8tA:
22.72
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 5 HIS A 284
HIS A 288
PHE A 308
HIS A 311
HIS A 312
 CU  A2002 (-3.2A)
CU  A2002 (-3.2A)
None
None
CU  A2002 (-3.1A)
 0.43A 5zrdB-5or4A:
20.5		 5zrdB-5or4A:
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.
5u8z CAROTENOID OXYGENASE
1

(Neurospora
crassa) 		PF03055
(RPE65) 		4 HIS A 313
HIS A 510
HIS A 197
HIS A 248
 FE2  A 601 ( 3.4A)
FE2  A 601 (-3.3A)
FE2  A 601 (-3.3A)
FE2  A 601 ( 3.4A)
 1.07A 5zrdB-5u8zA:
undetectable		 5zrdB-5u8zA:
23.61
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 4 HIS A 284
HIS A 475
HIS A 168
HIS A 219
 FE  A 500 (-3.3A)
FE  A 500 (-3.3A)
FE  A 500 (-3.3A)
FE  A 500 (-3.2A)
 1.03A 5zrdB-5v2dA:
undetectable		 5zrdB-5v2dA:
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.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		4 HIS A 204
HIS A 138
PHE A  86
HIS A  61
 ZN  A 401 (-3.5A)
ZN  A 401 (-3.4A)
None
ZN  A 401 (-3.2A)
 1.10A 5zrdB-5w57A:
undetectable		 5zrdB-5w57A:
19.49
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.
6eys -

(-) 		no annotation 4 HIS B 375
HIS B 379
PHE B 428
HIS B 432
 None
 0.32A 5zrdB-6eysB:
2.3		 5zrdB-6eysB:
undetectable