SIMILAR PATTERNS OF AMINO ACIDS FOR 5I3A_B_HQEB304_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A  88
HIS A 109
HIS A 240
HIS A 244
ALA A 264
 C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.3A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
None
 0.48A 5i3aB-1bt2A:
21.4		 5i3aB-1bt2A:
24.26
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		4 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A4801 (-3.0A)
CUZ  A4801 (-3.3A)
None
CUZ  A4801 (-3.2A)
 0.90A 5i3aB-1fwxA:
undetectable		 5i3aB-1fwxA:
17.47
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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		6 HIS A 194
HIS A 198
HIS A 344
ASN A 345
HIS A 348
ALA A 374
 CU  A 665 (-3.0A)
CU  A 665 (-3.1A)
CU  A 666 (-3.1A)
None
CU  A 666 (-3.8A)
None
 0.83A 5i3aB-1hcyA:
9.2		 5i3aB-1hcyA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 344
HIS A 348
HIS A 194
HIS A 198
 CU  A 666 (-3.1A)
CU  A 666 (-3.8A)
CU  A 665 (-3.0A)
CU  A 665 (-3.1A)
 0.92A 5i3aB-1hcyA:
9.2		 5i3aB-1hcyA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hmd HEMERYTHRIN

(Themiste
dyscritum) 		no annotation 4 HIS A  73
HIS A 101
HIS A  25
HIS A  54
 FEO  A 115 (-3.4A)
FEO  A 115 (-3.4A)
FEO  A 115 (-3.3A)
FEO  A 115 (-3.5A)
 0.80A 5i3aB-1hmdA:
undetectable		 5i3aB-1hmdA:
16.84
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A2543
HIS A2562
HIS A2671
ASN A2672
HIS A2675
 CUO  A 888 (-3.4A)
CUO  A 888 (-3.4A)
CUO  A 888 (-3.4A)
None
CUO  A 888 (-3.3A)
 0.45A 5i3aB-1js8A:
24.0		 5i3aB-1js8A:
29.15
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 980
HIS A 103
HIS A 161
ALA A 166
 CU  A1050 (-3.0A)
CU  A1051 (-3.3A)
CU  A1051 (-3.3A)
None
 0.75A 5i3aB-1kcwA:
undetectable		 5i3aB-1kcwA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 HIS A 173
HIS A 177
HIS A 324
ASN A 325
HIS A 328
 CU  A 629 (-3.2A)
CU  A 629 (-3.2A)
CU  A 630 (-3.3A)
None
CU  A 630 (-3.2A)
 0.70A 5i3aB-1llaA:
8.5		 5i3aB-1llaA:
18.11
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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 324
HIS A 328
HIS A 173
HIS A 177
 CU  A 630 (-3.3A)
CU  A 630 (-3.2A)
CU  A 629 (-3.2A)
CU  A 629 (-3.2A)
 0.75A 5i3aB-1llaA:
8.5		 5i3aB-1llaA:
18.11
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		6 HIS A  41
HIS A  61
HIS A 181
ASN A 182
HIS A 185
ALA A 202
 CU  A5001 (-2.9A)
CU  A5001 (-3.6A)
CU  A5012 (-3.4A)
None
CU  A5012 (-3.2A)
None
 0.73A 5i3aB-1lnlA:
20.5		 5i3aB-1lnlA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 185
HIS A 181
HIS A  61
HIS A  41
ALA A 202
 CU  A5012 (-3.2A)
CU  A5012 (-3.4A)
CU  A5001 (-3.6A)
CU  A5001 (-2.9A)
None
 1.39A 5i3aB-1lnlA:
20.5		 5i3aB-1lnlA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		4 HIS A 101
HIS A 131
HIS A   7
HIS A   9
 ZN  A 303 (-3.2A)
ZN  A 303 (-3.4A)
ZN  A 302 (-3.2A)
ZN  A 302 (-3.3A)
 0.78A 5i3aB-1m68A:
undetectable		 5i3aB-1m68A:
23.76
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 HIS A 810
ASN A 759
VAL A 815
ALA A 818
 None
 0.71A 5i3aB-1qgrA:
undetectable		 5i3aB-1qgrA:
15.06
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.
1qni NITROUS-OXIDE
REDUCTASE

(Marinobacter
hydrocarbonoclasticus) 		no annotation 4 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.91A 5i3aB-1qniA:
undetectable		 5i3aB-1qniA:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wx4 TYROSINASE

(Streptomyces
castaneoglobisporus) 		PF00264
(Tyrosinase) 		5 HIS A  38
HIS A  54
HIS A 190
ASN A 191
HIS A 194
 CU  A 400 ( 3.3A)
CU  A 400 ( 3.3A)
CU  A 401 ( 3.2A)
None
CU  A 401 ( 3.2A)
 0.32A 5i3aB-1wx4A:
39.3		 5i3aB-1wx4A:
43.84
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 HIS A  25
HIS A 148
HIS A  86
ASN A 166
HIS A 228
 EDO  A 602 ( 2.9A)
FEO  A 501 (-2.8A)
FEO  A 501 (-3.1A)
None
FEO  A 501 ( 3.1A)
 1.29A 5i3aB-1ycgA:
undetectable		 5i3aB-1ycgA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkp HYPOTHETICAL PROTEIN
BA1088

(Bacillus
anthracis) 		PF12706
(Lactamase_B_2) 		4 HIS A  59
HIS A 189
ASN A 177
ALA A 154
 ZN  A 245 (-3.3A)
None
None
None
 0.88A 5i3aB-1zkpA:
undetectable		 5i3aB-1zkpA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH

(Desulfovibrio
vulgaris) 		PF01814
(Hemerythrin) 		4 HIS A  78
HIS A 118
HIS A  23
HIS A  59
 FEO  A 137 (-3.5A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.4A)
 0.84A 5i3aB-2awcA:
undetectable		 5i3aB-2awcA:
17.77
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.
2mhr MYOHEMERYTHRIN

(Themiste
hennahi) 		PF01814
(Hemerythrin) 		4 HIS A  73
HIS A 106
HIS A  25
HIS A  54
 FEO  A 119 (-3.5A)
FEO  A 119 ( 3.3A)
FEO  A 119 ( 3.4A)
FEO  A 119 ( 3.3A)
 0.92A 5i3aB-2mhrA:
undetectable		 5i3aB-2mhrA:
15.97
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		6 HIS A  87
HIS A 108
HIS A 239
ASN A 240
HIS A 243
ALA A 262
 C2O  A 340 (-3.2A)
C2O  A 340 (-3.3A)
C2O  A 340 (-3.2A)
None
C2O  A 340 (-3.3A)
None
 0.41A 5i3aB-2p3xA:
21.2		 5i3aB-2p3xA:
27.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 243
HIS A 239
HIS A 108
HIS A  87
ALA A 262
 C2O  A 340 (-3.3A)
C2O  A 340 (-3.2A)
C2O  A 340 (-3.3A)
C2O  A 340 (-3.2A)
None
 1.15A 5i3aB-2p3xA:
21.2		 5i3aB-2p3xA:
27.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 243
HIS A 272
HIS A 108
HIS A  87
ALA A 262
 C2O  A 340 (-3.3A)
C2O  A 340 (-3.1A)
C2O  A 340 (-3.3A)
C2O  A 340 (-3.2A)
None
 1.44A 5i3aB-2p3xA:
21.2		 5i3aB-2p3xA:
27.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		4 HIS A 428
HIS A 456
HIS A 332
HIS A 334
 ZN  A1567 (-3.4A)
ZN  A1567 (-3.6A)
ZN  A1566 (-3.4A)
ZN  A1566 (-3.5A)
 0.72A 5i3aB-2w9mA:
undetectable		 5i3aB-2w9mA:
19.17
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		7 HIS A  61
HIS A  85
HIS A 259
ASN A 260
HIS A 263
VAL A 283
ALA A 286
 CU  A 400 (-3.2A)
CU  A 400 (-3.3A)
CU  A 401 (-3.2A)
0TR  A 410 (-4.1A)
0TR  A 410 ( 3.1A)
0TR  A 410 (-4.0A)
0TR  A 410 (-3.6A)
 0.31A 5i3aB-2y9xA:
21.3		 5i3aB-2y9xA:
26.24
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A  61
HIS A  94
HIS A 259
HIS A 263
ALA A 286
 CU  A 400 (-3.2A)
CU  A 400 (-3.2A)
CU  A 401 (-3.2A)
0TR  A 410 ( 3.1A)
0TR  A 410 (-3.6A)
 1.48A 5i3aB-2y9xA:
21.3		 5i3aB-2y9xA:
26.24
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A  85
HIS A 296
HIS A 263
VAL A 283
ALA A 286
 CU  A 400 (-3.3A)
CU  A 401 (-3.2A)
0TR  A 410 ( 3.1A)
0TR  A 410 (-4.0A)
0TR  A 410 (-3.6A)
 1.45A 5i3aB-2y9xA:
21.3		 5i3aB-2y9xA:
26.24
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A 263
HIS A 259
HIS A  85
HIS A  61
ALA A 286
 0TR  A 410 ( 3.1A)
CU  A 401 (-3.2A)
CU  A 400 (-3.3A)
CU  A 400 (-3.2A)
0TR  A 410 (-3.6A)
 1.23A 5i3aB-2y9xA:
21.3		 5i3aB-2y9xA:
26.24
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A 263
HIS A 296
HIS A  85
HIS A  61
ALA A 286
 0TR  A 410 ( 3.1A)
CU  A 401 (-3.2A)
CU  A 400 (-3.3A)
CU  A 400 (-3.2A)
0TR  A 410 (-3.6A)
 1.47A 5i3aB-2y9xA:
21.3		 5i3aB-2y9xA:
26.24
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.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		4 HIS A 108
HIS A 154
HIS A   5
HIS A   7
 FE  A 502 (-3.5A)
FE  A 502 (-3.4A)
FE  A 503 (-3.5A)
FE  A 503 (-3.4A)
 0.87A 5i3aB-2z4gA:
undetectable		 5i3aB-2z4gA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		4 HIS A 110
HIS A 229
ASN A 216
HIS A 182
 FE  A 301 ( 3.2A)
ZN  A 303 ( 3.3A)
CAC  A 300 ( 4.8A)
ZN  A 303 ( 3.2A)
 0.91A 5i3aB-3aalA:
undetectable		 5i3aB-3aalA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 HIS A  69
HIS A 204
HIS A 172
ASN A 140
VAL A 106
 PO4  A 272 (-4.0A)
PO4  A 272 ( 4.4A)
MN  A 271 ( 3.4A)
None
None
 1.03A 5i3aB-3aamA:
undetectable		 5i3aB-3aamA:
21.77
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.
3bzj UV ENDONUCLEASE

(Thermus
thermophilus) 		PF03851
(UvdE) 		5 HIS A 101
HIS A 231
HIS A 203
ASN A 176
VAL A 141
 None
None
MN  A 281 (-3.3A)
None
None
 1.24A 5i3aB-3bzjA:
undetectable		 5i3aB-3bzjA:
21.69
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.
3bzj UV ENDONUCLEASE

(Thermus
thermophilus) 		PF03851
(UvdE) 		5 HIS A 231
HIS A 203
ASN A 176
HIS A 143
VAL A 141
 None
MN  A 281 (-3.3A)
None
None
None
 0.92A 5i3aB-3bzjA:
undetectable		 5i3aB-3bzjA:
21.69
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		6 HIS B 209
HIS B 213
HIS B 366
ASN B 367
HIS B 370
ALA B 396
 CU  B 686 (-3.1A)
CU  B 686 (-3.3A)
CU  B   1 (-3.3A)
None
CU  B   1 (-3.2A)
None
 0.69A 5i3aB-3hhsB:
9.7		 5i3aB-3hhsB:
17.91
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS B 366
HIS B 370
HIS B 209
HIS B 213
 CU  B   1 (-3.3A)
CU  B   1 (-3.2A)
CU  B 686 (-3.1A)
CU  B 686 (-3.3A)
 0.77A 5i3aB-3hhsB:
9.7		 5i3aB-3hhsB:
17.91
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.
3hhs PHENOLOXIDASE
SUBUNIT 2

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 215
HIS A 219
HIS A 368
ASN A 369
HIS A 372
 CU  A 696 (-3.2A)
CU  A 696 (-3.3A)
CU  A 697 (-3.2A)
None
CU  A 697 (-3.2A)
 0.70A 5i3aB-3hhsA:
7.1		 5i3aB-3hhsA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhs PHENOLOXIDASE
SUBUNIT 2

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 368
HIS A 372
HIS A 215
HIS A 219
 CU  A 697 (-3.2A)
CU  A 697 (-3.2A)
CU  A 696 (-3.2A)
CU  A 696 (-3.3A)
 0.80A 5i3aB-3hhsA:
7.1		 5i3aB-3hhsA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hl0 MALEYLACETATE
REDUCTASE

(Agrobacterium
fabrum) 		PF00465
(Fe-ADH) 		4 HIS A 174
HIS A 253
HIS A 257
ALA A 173
 None
NAD  A 402 (-3.6A)
None
None
 0.86A 5i3aB-3hl0A:
undetectable		 5i3aB-3hl0A:
19.26
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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 170
HIS A 321
ASN A 322
HIS A 325
 None
 0.58A 5i3aB-3ixwA:
8.0		 5i3aB-3ixwA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		4 HIS A 177
HIS A 256
HIS A 260
ALA A 176
 None
NAD  A 400 (-3.6A)
None
None
 0.89A 5i3aB-3jzdA:
undetectable		 5i3aB-3jzdA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 4 HIS A 494
HIS A 130
ASN A 148
HIS A 178
 CUK  A 702 (-3.3A)
CUK  A 702 (-3.2A)
None
CUK  A 702 (-3.1A)
 0.89A 5i3aB-3sbqA:
undetectable		 5i3aB-3sbqA:
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.
3u9j F-BOX/LRR-REPEAT
PROTEIN 5

(Homo sapiens) 		PF01814
(Hemerythrin) 		4 HIS A  80
HIS A 126
HIS A  15
HIS A  57
 FE  A 200 (-3.4A)
FE  A 200 (-3.5A)
FE  A 201 (-3.3A)
FE  A 201 (-3.4A)
 0.76A 5i3aB-3u9jA:
undetectable		 5i3aB-3u9jA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		7 HIS A  67
HIS A  94
HIS A 328
ASN A 329
HIS A 332
VAL A 359
ALA A 362
 None
 0.55A 5i3aB-3w6qA:
18.9		 5i3aB-3w6qA:
18.40
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 HIS A 332
HIS A 372
HIS A  67
ALA A 362
 None
 0.81A 5i3aB-3w6qA:
18.9		 5i3aB-3w6qA:
18.40
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		7 HIS A 199
HIS A 203
HIS A 357
ASN A 358
HIS A 361
VAL A 384
ALA A 387
 CUO  A 708 (-3.3A)
CUO  A 708 (-3.5A)
CUO  A 708 (-3.3A)
None
CUO  A 708 (-3.2A)
None
None
 0.71A 5i3aB-3wkyA:
9.9		 5i3aB-3wkyA:
17.37
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 357
HIS A 361
HIS A 199
HIS A 203
 CUO  A 708 (-3.3A)
CUO  A 708 (-3.2A)
CUO  A 708 (-3.3A)
CUO  A 708 (-3.5A)
 0.76A 5i3aB-3wkyA:
9.9		 5i3aB-3wkyA:
17.37
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		5 HIS A  78
HIS A 220
HIS A 195
ASN A 160
VAL A 117
 MN  A1002 (-3.6A)
None
MN  A1001 (-3.5A)
None
None
 1.18A 5i3aB-3wqoA:
undetectable		 5i3aB-3wqoA:
21.01
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A  42
HIS A  60
HIS A 179
ASN A 180
HIS A 183
 CUO  A9001 (-3.4A)
CUO  A9001 (-3.1A)
CUO  A9001 (-3.4A)
None
CUO  A9001 (-3.4A)
 0.94A 5i3aB-4bedA:
21.3		 5i3aB-4bedA:
10.28
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 462
HIS A 482
HIS A 602
ASN A 603
HIS A 606
 CUO  A9002 (-3.2A)
CUO  A9002 (-3.4A)
CUO  A9002 (-3.4A)
None
CUO  A9002 (-3.3A)
 0.93A 5i3aB-4bedA:
21.3		 5i3aB-4bedA:
10.28
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 876
HIS A 896
HIS A1015
ASN A1016
HIS A1019
 CUO  A9003 (-3.3A)
CUO  A9003 (-3.4A)
CUO  A9003 (-3.1A)
None
CUO  A9003 (-3.4A)
 1.02A 5i3aB-4bedA:
21.3		 5i3aB-4bedA:
10.28
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A1293
HIS A1311
ASN A1425
HIS A1428
ALA A1445
 CUO  A9004 (-3.2A)
CUO  A9004 (-3.4A)
None
CUO  A9004 (-3.4A)
None
 0.86A 5i3aB-4bedA:
21.3		 5i3aB-4bedA:
10.28
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A1293
HIS A1311
HIS A1424
HIS A1428
ALA A1445
 CUO  A9004 (-3.2A)
CUO  A9004 (-3.4A)
CUO  A9004 (-3.0A)
CUO  A9004 (-3.4A)
None
 0.77A 5i3aB-4bedA:
21.3		 5i3aB-4bedA:
10.28
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A1293
HIS A1320
HIS A1424
HIS A1428
ALA A1445
 CUO  A9004 (-3.2A)
CUO  A9004 (-3.5A)
CUO  A9004 (-3.0A)
CUO  A9004 (-3.4A)
None
 1.37A 5i3aB-4bedA:
21.3		 5i3aB-4bedA:
10.28
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A1428
HIS A1424
HIS A1320
HIS A1293
ALA A1445
 CUO  A9004 (-3.4A)
CUO  A9004 (-3.0A)
CUO  A9004 (-3.5A)
CUO  A9004 (-3.2A)
None
 1.43A 5i3aB-4bedA:
21.3		 5i3aB-4bedA:
10.28
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A1428
HIS A1455
HIS A1293
ALA A1445
 CUO  A9004 (-3.4A)
CUO  A9004 (-3.3A)
CUO  A9004 (-3.2A)
None
 0.88A 5i3aB-4bedA:
21.3		 5i3aB-4bedA:
10.28
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		6 HIS B1705
HIS B1725
HIS B1847
ASN B1848
HIS B1851
ALA B1868
 CUO  B9005 (-3.2A)
CUO  B9005 (-3.1A)
CUO  B9005 (-3.2A)
None
CUO  B9005 (-3.2A)
None
 0.78A 5i3aB-4bedB:
23.7		 5i3aB-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B1851
HIS B1847
HIS B1734
HIS B1705
ALA B1868
 CUO  B9005 (-3.2A)
CUO  B9005 (-3.2A)
CUO  B9005 (-3.4A)
CUO  B9005 (-3.2A)
None
 1.45A 5i3aB-4bedB:
23.7		 5i3aB-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		6 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
None
 0.81A 5i3aB-4bedB:
23.7		 5i3aB-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2264
HIS B2291
HIS B2122
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
None
 0.88A 5i3aB-4bedB:
23.7		 5i3aB-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2542
HIS B2561
HIS B2670
ASN B2671
HIS B2674
 CUO  B9007 (-3.3A)
CUO  B9007 (-3.3A)
CUO  B9007 (-3.4A)
None
CUO  B9007 (-3.4A)
 0.88A 5i3aB-4bedB:
23.7		 5i3aB-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2946
HIS B2965
HIS B3075
HIS B3079
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
 0.65A 5i3aB-4bedB:
23.7		 5i3aB-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2946
HIS B3075
ASN B3076
HIS B3079
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
 0.49A 5i3aB-4bedB:
23.7		 5i3aB-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		4 HIS A 109
HIS A 154
HIS A   9
HIS A  11
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 303 (-3.3A)
ZN  A 303 ( 3.3A)
 0.88A 5i3aB-4gk8A:
undetectable		 5i3aB-4gk8A:
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A 102
HIS A 110
HIS A 284
HIS A 288
VAL A 299
 CU  A1001 (-3.2A)
CU  A1001 (-3.3A)
CU  A1002 (-3.2A)
CU  A1002 (-3.2A)
None
 0.74A 5i3aB-4j3qA:
28.9		 5i3aB-4j3qA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lc9 GLUCOKINASE
REGULATORY PROTEIN

(Rattus
norvegicus) 		no annotation 4 HIS A 560
HIS A 543
VAL A 552
ALA A 555
 None
 0.87A 5i3aB-4lc9A:
undetectable		 5i3aB-4lc9A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS B  57
HIS B  82
HIS B 251
HIS B 255
ALA B 273
 CU1  B 601 (-3.1A)
CU1  B 601 (-3.1A)
CU1  B 602 (-3.2A)
CU1  B 602 (-3.1A)
None
 0.41A 5i3aB-4ouaB:
21.1		 5i3aB-4ouaB:
20.00
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS B 255
HIS B 251
HIS B  82
HIS B  57
ALA B 273
 CU1  B 602 (-3.1A)
CU1  B 602 (-3.2A)
CU1  B 601 (-3.1A)
CU1  B 601 (-3.1A)
None
 1.21A 5i3aB-4ouaB:
21.1		 5i3aB-4ouaB:
20.00
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS B 255
HIS B 251
HIS B  91
HIS B  57
ALA B 273
 CU1  B 602 (-3.1A)
CU1  B 602 (-3.2A)
CU1  B 601 (-3.2A)
CU1  B 601 (-3.1A)
None
 1.49A 5i3aB-4ouaB:
21.1		 5i3aB-4ouaB:
20.00
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A  57
HIS A  82
HIS A 251
HIS A 255
ALA A 273
 CU1  A 401 (-3.2A)
CU1  A 401 (-3.3A)
CU1  A 402 (-3.0A)
CU1  A 402 (-3.1A)
None
 0.39A 5i3aB-4ouaA:
20.8		 5i3aB-4ouaA:
25.45
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A 255
HIS A 251
HIS A  82
HIS A  57
ALA A 273
 CU1  A 402 (-3.1A)
CU1  A 402 (-3.0A)
CU1  A 401 (-3.3A)
CU1  A 401 (-3.2A)
None
 1.21A 5i3aB-4ouaA:
20.8		 5i3aB-4ouaA:
25.45
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A 255
HIS A 251
HIS A  91
HIS A  57
ALA A 273
 CU1  A 402 (-3.1A)
CU1  A 402 (-3.0A)
CU1  A 401 (-3.3A)
CU1  A 401 (-3.2A)
None
 1.47A 5i3aB-4ouaA:
20.8		 5i3aB-4ouaA:
25.45
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A 255
HIS A 283
HIS A  82
HIS A  57
ALA A 273
 CU1  A 402 (-3.1A)
CU1  A 402 (-2.9A)
CU1  A 401 (-3.3A)
CU1  A 401 (-3.2A)
None
 1.46A 5i3aB-4ouaA:
20.8		 5i3aB-4ouaA:
25.45
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		4 HIS A 253
HIS A 190
HIS A 343
ALA A 310
 ZN  A 501 ( 3.5A)
ZN  A 502 (-3.5A)
ZN  A 502 ( 3.6A)
3PE  A 503 ( 4.7A)
 0.73A 5i3aB-4qn9A:
undetectable		 5i3aB-4qn9A:
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		4 HIS A 343
HIS A 190
HIS A 253
ALA A 310
 ZN  A 502 ( 3.6A)
ZN  A 502 (-3.5A)
ZN  A 501 ( 3.5A)
3PE  A 503 ( 4.7A)
 0.86A 5i3aB-4qn9A:
undetectable		 5i3aB-4qn9A:
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.
4uxa CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Granulicella
tundricola) 		PF07883
(Cupin_2) 		4 HIS A  55
HIS A  40
VAL A 118
ALA A 117
 MN  A 200 (-3.7A)
None
None
None
 0.89A 5i3aB-4uxaA:
undetectable		 5i3aB-4uxaA:
16.38
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.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		4 HIS A  77
HIS A 117
HIS A  22
HIS A  58
 FE2  A 201 (-3.4A)
FE2  A 201 (-3.4A)
FE2  A 202 (-3.3A)
FE2  A 202 (-3.4A)
 0.87A 5i3aB-4xpxA:
undetectable		 5i3aB-4xpxA:
18.28
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		7 HIS A 223
HIS A 227
HIS A 379
ASN A 380
HIS A 383
VAL A 406
ALA A 409
 CU  A 801 (-3.0A)
CU  A 801 (-3.2A)
CU  A 802 (-3.2A)
None
CU  A 802 (-3.2A)
None
None
 0.65A 5i3aB-4yzwA:
9.0		 5i3aB-4yzwA:
17.72
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 379
HIS A 383
HIS A 223
HIS A 227
 CU  A 802 (-3.2A)
CU  A 802 (-3.2A)
CU  A 801 (-3.0A)
CU  A 801 (-3.2A)
 0.82A 5i3aB-4yzwA:
9.0		 5i3aB-4yzwA:
17.72
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 383
HIS A 379
HIS A 227
HIS A 223
ALA A 409
 CU  A 802 (-3.2A)
CU  A 802 (-3.2A)
CU  A 801 (-3.2A)
CU  A 801 (-3.0A)
None
 1.09A 5i3aB-4yzwA:
9.0		 5i3aB-4yzwA:
17.72
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.
4z0z AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A  93
HIS A 116
HIS A 256
ALA A 276
 CU  A 700 (-3.1A)
CU  A 700 (-3.2A)
HS8  A 252 ( 3.6A)
None
 0.46A 5i3aB-4z0zA:
20.9		 5i3aB-4z0zA:
28.09
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 HIS A  93
HIS A 116
HIS A 252
HIS A 256
ALA A 276
 CU  A 700 (-3.2A)
CU  A 700 (-3.2A)
CU  A 701 (-3.1A)
CU  A 701 (-3.1A)
None
 0.39A 5i3aB-4z11A:
19.7		 5i3aB-4z11A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 HIS A 256
HIS A 252
HIS A 116
HIS A  93
ALA A 276
 CU  A 701 (-3.1A)
CU  A 701 (-3.1A)
CU  A 700 (-3.2A)
CU  A 700 (-3.2A)
None
 1.12A 5i3aB-4z11A:
19.7		 5i3aB-4z11A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 HIS A 256
HIS A 252
HIS A 125
HIS A  93
ALA A 276
 CU  A 701 (-3.1A)
CU  A 701 (-3.1A)
CU  A 700 (-3.2A)
CU  A 700 (-3.2A)
None
 1.49A 5i3aB-4z11A:
19.7		 5i3aB-4z11A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 HIS A 256
HIS A 286
HIS A 116
HIS A  93
ALA A 276
 CU  A 701 (-3.1A)
CU  A 701 (-3.1A)
CU  A 700 (-3.2A)
CU  A 700 (-3.2A)
None
 1.47A 5i3aB-4z11A:
19.7		 5i3aB-4z11A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 HIS A 345
HIS A 326
HIS A 268
HIS A 244
VAL A 359
 ZN  A 401 (-3.5A)
ZN  A 401 (-3.4A)
ZN  A 402 (-3.5A)
ZN  A 402 (-3.7A)
None
 1.06A 5i3aB-4zr0A:
undetectable		 5i3aB-4zr0A:
23.15
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.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 268
HIS A 244
HIS A 345
HIS A 326
 ZN  A 402 (-3.3A)
ZN  A 402 (-3.5A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
 0.91A 5i3aB-4zr1A:
undetectable		 5i3aB-4zr1A:
23.01
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.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 HIS A 345
HIS A 326
HIS A 268
HIS A 244
VAL A 359
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
ZN  A 402 (-3.3A)
ZN  A 402 (-3.5A)
None
 1.02A 5i3aB-4zr1A:
undetectable		 5i3aB-4zr1A:
23.01
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		6 HIS A  87
HIS A 108
HIS A 239
ASN A 240
HIS A 243
ALA A 263
 CU  A 402 ( 3.2A)
CU  A 402 ( 3.2A)
CU  A 401 ( 3.2A)
None
CU  A 401 ( 3.2A)
None
 0.36A 5i3aB-5ce9A:
21.2		 5i3aB-5ce9A:
28.53
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 243
HIS A 239
HIS A 108
HIS A  87
ALA A 263
 CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
CU  A 402 ( 3.2A)
CU  A 402 ( 3.2A)
None
 1.17A 5i3aB-5ce9A:
21.2		 5i3aB-5ce9A:
28.53
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 243
HIS A 273
HIS A 108
HIS A  87
ALA A 263
 CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
CU  A 402 ( 3.2A)
CU  A 402 ( 3.2A)
None
 1.42A 5i3aB-5ce9A:
21.2		 5i3aB-5ce9A:
28.53
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		6 HIS A 192
HIS A 215
HIS A 377
ASN A 378
HIS A 381
VAL A 391
 ZN  A 512 ( 3.3A)
ZN  A 512 ( 3.3A)
ZN  A 511 ( 3.2A)
0TR  A 513 ( 4.4A)
ZN  A 511 ( 3.3A)
0TR  A 513 (-3.8A)
 0.33A 5i3aB-5m8tA:
32.6		 5i3aB-5m8tA:
25.39
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 HIS A 974
HIS A 103
HIS A 160
ALA A 165
 CU  A1101 ( 3.2A)
CU  A1104 ( 3.5A)
CU  A1104 (-3.6A)
None
 0.85A 5i3aB-5n4lA:
undetectable		 5i3aB-5n4lA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 4 HIS A 102
HIS A 110
HIS A 284
HIS A 288
 CU  A2001 (-3.3A)
CU  A2001 (-3.3A)
CU  A2002 (-3.2A)
CU  A2002 (-3.2A)
 0.38A 5i3aB-5or4A:
28.0		 5i3aB-5or4A:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 4 HIS A 110
HIS A 284
HIS A 288
VAL A 299
 CU  A2001 (-3.3A)
CU  A2002 (-3.2A)
CU  A2002 (-3.2A)
None
 0.64A 5i3aB-5or4A:
28.0		 5i3aB-5or4A:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp0 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Aliivibrio
fischeri) 		PF02540
(NAD_synthase) 		4 HIS A 120
ASN A 119
HIS A 116
VAL A 139
 None
 0.75A 5i3aB-5wp0A:
undetectable		 5i3aB-5wp0A:
21.90
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.
5yy3 -

(-) 		no annotation 5 HIS A 176
HIS A 180
HIS A 346
ASN A 347
ALA A 377
 None
 0.86A 5i3aB-5yy3A:
7.7		 5i3aB-5yy3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eys -

(-) 		no annotation 4 HIS B 216
HIS B 220
HIS B 375
HIS B 379
 None
 0.83A 5i3aB-6eysB:
8.3		 5i3aB-6eysB:
undetectable